Daily Papers

Distribution shifts -- where the training distribution differs from the test distribution -- can substantially degrade the accuracy of machine learning (ML) systems deployed in the wild. Despite their ubiquity in the real-world deployments, these distribution shifts are under-represented in the datasets widely used in the ML community today. To address this gap, we present WILDS, a curated benchmark of 10 datasets reflecting a diverse range of distribution shifts that naturally arise in real-world applications, such as shifts across hospitals for tumor identification; across camera traps for wildlife monitoring; and across time and location in satellite imaging and poverty mapping. On each dataset, we show that standard training yields substantially lower out-of-distribution than in-distribution performance. This gap remains even with models trained by existing methods for tackling distribution shifts, underscoring the need for new methods for training models that are more robust to the types of distribution shifts that arise in practice. To facilitate method development, we provide an open-source package that automates dataset loading, contains default model architectures and hyperparameters, and standardizes evaluations. Code and leaderboards are available at https://wilds.stanford.edu.

Universal source separation targets at separating the audio sources of an arbitrary mix, removing the constraint to operate on a specific domain like speech or music. Yet, the potential of universal source separation is limited because most existing works focus on mixes with predominantly sound events, and small training datasets also limit its potential for supervised learning. Here, we study a single general audio source separation (GASS) model trained to separate speech, music, and sound events in a supervised fashion with a large-scale dataset. We assess GASS models on a diverse set of tasks. Our strong in-distribution results show the feasibility of GASS models, and the competitive out-of-distribution performance in sound event and speech separation shows its generalization abilities. Yet, it is challenging for GASS models to generalize for separating out-of-distribution cinematic and music content. We also fine-tune GASS models on each dataset and consistently outperform the ones without pre-training. All fine-tuned models (except the music separation one) obtain state-of-the-art results in their respective benchmarks.

Retrieval-Augmented-Generation and Gener-ation-Augmented-Generation have been proposed to enhance the knowledge required for question answering over Large Language Models (LLMs). However, the former depends on external resources, and both require incorporating the explicit documents into the context, which results in longer contexts that lead to more resource consumption. Recent works indicate that LLMs have modeled rich knowledge, albeit not effectively triggered or activated. Inspired by this, we propose a novel knowledge-augmented framework, Imagination-Augmented-Generation (IAG), which simulates the human capacity to compensate for knowledge deficits while answering questions solely through imagination, without relying on external resources. Guided by IAG, we propose an imagine richer context method for question answering (IMcQA), which obtains richer context through the following two modules: explicit imagination by generating a short dummy document with long context compress and implicit imagination with HyperNetwork for generating adapter weights. Experimental results on three datasets demonstrate that IMcQA exhibits significant advantages in both open-domain and closed-book settings, as well as in both in-distribution performance and out-of-distribution generalizations. Our code will be available at https://github.com/Xnhyacinth/IAG.

We conduct a large empirical evaluation to investigate the landscape of distributional robustness in question answering. Our investigation spans over 350 models and 16 question answering datasets, including a diverse set of architectures, model sizes, and adaptation methods (e.g., fine-tuning, adapter tuning, in-context learning, etc.). We find that, in many cases, model variations do not affect robustness and in-distribution performance alone determines out-of-distribution performance. Moreover, our findings indicate that i) zero-shot and in-context learning methods are more robust to distribution shifts than fully fine-tuned models; ii) few-shot prompt fine-tuned models exhibit better robustness than few-shot fine-tuned span prediction models; iii) parameter-efficient and robustness enhancing training methods provide no significant robustness improvements. In addition, we publicly release all evaluations to encourage researchers to further analyze robustness trends for question answering models.

Most existing debiasing methods for multimodal models, including causal intervention and inference methods, utilize approximate heuristics to represent the biases, such as shallow features from early stages of training or unimodal features for multimodal tasks like VQA, etc., which may not be accurate. In this paper, we study bias arising from confounders in a causal graph for multimodal data and examine a novel approach that leverages causally-motivated information minimization to learn the confounder representations. Robust predictive features contain diverse information that helps a model generalize to out-of-distribution data. Hence, minimizing the information content of features obtained from a pretrained biased model helps learn the simplest predictive features that capture the underlying data distribution. We treat these features as confounder representations and use them via methods motivated by causal theory to remove bias from models. We find that the learned confounder representations indeed capture dataset biases, and the proposed debiasing methods improve out-of-distribution (OOD) performance on multiple multimodal datasets without sacrificing in-distribution performance. Additionally, we introduce a novel metric to quantify the sufficiency of spurious features in models' predictions that further demonstrates the effectiveness of our proposed methods. Our code is available at: https://github.com/Vaidehi99/CausalInfoMin

It is impossible today to pretend that the practice of machine learning is compatible with the idea that training and testing data follow the same distribution. Several authors have recently used ensemble techniques to show how scenarios involving multiple data distributions are best served by representations that are both richer than those obtained by regularizing for the best in-distribution performance, and richer than those obtained under the influence of the implicit sparsity bias of common stochastic gradient procedures. This contribution investigates the use of very high dropout rates instead of ensembles to obtain such rich representations. Although training a deep network from scratch using such dropout rates is virtually impossible, fine-tuning a large pre-trained model under such conditions is not only possible but also achieves out-of-distribution performances that exceed those of both ensembles and weight averaging methods such as model soups. This result has practical significance because the importance of the fine-tuning scenario has considerably grown in recent years. This result also provides interesting insights on the nature of rich representations and on the intrinsically linear nature of fine-tuning a large network using a comparatively small dataset.

Recent breakthroughs in large language models (LLMs) have centered around a handful of data-rich languages. What does it take to broaden access to breakthroughs beyond first-class citizen languages? Our work introduces Aya, a massively multilingual generative language model that follows instructions in 101 languages of which over 50% are considered as lower-resourced. Aya outperforms mT0 and BLOOMZ on the majority of tasks while covering double the number of languages. We introduce extensive new evaluation suites that broaden the state-of-art for multilingual eval across 99 languages -- including discriminative and generative tasks, human evaluation, and simulated win rates that cover both held-out tasks and in-distribution performance. Furthermore, we conduct detailed investigations on the optimal finetuning mixture composition, data pruning, as well as the toxicity, bias, and safety of our models. We open-source our instruction datasets and our model at https://hf.co/CohereForAI/aya-101

For vision-and-language reasoning tasks, both fully connectionist, end-to-end methods and hybrid, neuro-symbolic methods have achieved high in-distribution performance. In which out-of-distribution settings does each paradigm excel? We investigate this question on both single-image and multi-image visual question-answering through four types of generalization tests: a novel segment-combine test for multi-image queries, contrast set, compositional generalization, and cross-benchmark transfer. Vision-and-language end-to-end trained systems exhibit sizeable performance drops across all these tests. Neuro-symbolic methods suffer even more on cross-benchmark transfer from GQA to VQA, but they show smaller accuracy drops on the other generalization tests and their performance quickly improves by few-shot training. Overall, our results demonstrate the complementary benefits of these two paradigms, and emphasize the importance of using a diverse suite of generalization tests to fully characterize model robustness to distribution shift.

In the future, powerful AI systems may be deployed in high-stakes settings, where a single failure could be catastrophic. One technique for improving AI safety in high-stakes settings is adversarial training, which uses an adversary to generate examples to train on in order to achieve better worst-case performance. In this work, we used a safe language generation task (``avoid injuries'') as a testbed for achieving high reliability through adversarial training. We created a series of adversarial training techniques -- including a tool that assists human adversaries -- to find and eliminate failures in a classifier that filters text completions suggested by a generator. In our task, we determined that we can set very conservative classifier thresholds without significantly impacting the quality of the filtered outputs. We found that adversarial training increased robustness to the adversarial attacks that we trained on -- doubling the time for our contractors to find adversarial examples both with our tool (from 13 to 26 minutes) and without (from 20 to 44 minutes) -- without affecting in-distribution performance. We hope to see further work in the high-stakes reliability setting, including more powerful tools for enhancing human adversaries and better ways to measure high levels of reliability, until we can confidently rule out the possibility of catastrophic deployment-time failures of powerful models.

Several studies have compared the in-distribution (ID) and out-of-distribution (OOD) performance of models in computer vision and NLP. They report a frequent positive correlation and some surprisingly never even observe an inverse correlation indicative of a necessary trade-off. The possibility of inverse patterns is important to determine whether ID performance can serve as a proxy for OOD generalization capabilities. This paper shows with multiple datasets that inverse correlations between ID and OOD performance do happen in real-world data - not only in theoretical worst-case settings. We also explain theoretically how these cases can arise even in a minimal linear setting, and why past studies could miss such cases due to a biased selection of models. Our observations lead to recommendations that contradict those found in much of the current literature. - High OOD performance sometimes requires trading off ID performance. - Focusing on ID performance alone may not lead to optimal OOD performance. It may produce diminishing (eventually negative) returns in OOD performance. - In these cases, studies on OOD generalization that use ID performance for model selection (a common recommended practice) will necessarily miss the best-performing models, making these studies blind to a whole range of phenomena.

"Effective robustness" measures the extra out-of-distribution (OOD) robustness beyond what can be predicted from the in-distribution (ID) performance. Existing effective robustness evaluations typically use a single test set such as ImageNet to evaluate the ID accuracy. This becomes problematic when evaluating models trained on different data distributions, e.g., comparing models trained on ImageNet vs. zero-shot language-image pre-trained models trained on LAION. In this paper, we propose a new evaluation metric to evaluate and compare the effective robustness of models trained on different data. To do this, we control for the accuracy on multiple ID test sets that cover the training distributions for all the evaluated models. Our new evaluation metric provides a better estimate of effective robustness when there are models with different training data. It may also explain the surprising effective robustness gains of zero-shot CLIP-like models exhibited in prior works that used ImageNet as the only ID test set, while the gains diminish under our new evaluation. Additional artifacts including interactive visualizations are provided at https://shizhouxing.github.io/effective-robustness.

Complex reasoning is an impressive ability shown by large language models (LLMs). Most LLMs are skilled in deductive reasoning, such as chain-of-thought prompting or iterative tool-using to solve challenging tasks step-by-step. In this paper, we hope to focus on evaluating and teaching LLMs to conduct inductive reasoning, that is, LLMs are supposed to infer underlying rules by observing examples or sequential transformations. However, collecting large-scale and diverse human-generated inductive data is challenging. We focus on data synthesis in the code domain and propose a Case2Code task by exploiting the expressiveness and correctness of programs. Specifically, we collect a diverse set of executable programs, synthesize input-output transformations for each program, and force LLMs to infer the underlying code implementations based on the synthetic I/O cases. We first evaluate representative LLMs on the synthesized Case2Code task and demonstrate that the Case-to-code induction is challenging for LLMs. Then, we synthesize large-scale Case2Code training samples to train LLMs to perform inductive reasoning. Experimental results show that such induction training benefits not only in distribution Case2Code performance but also enhances various coding abilities of trained LLMs, demonstrating the great potential of learning inductive reasoning via synthetic data.

Ensembling neural networks is an effective way to increase accuracy, and can often match the performance of individual larger models. This observation poses a natural question: given the choice between a deep ensemble and a single neural network with similar accuracy, is one preferable over the other? Recent work suggests that deep ensembles may offer distinct benefits beyond predictive power: namely, uncertainty quantification and robustness to dataset shift. In this work, we demonstrate limitations to these purported benefits, and show that a single (but larger) neural network can replicate these qualities. First, we show that ensemble diversity, by any metric, does not meaningfully contribute to an ensemble's uncertainty quantification on out-of-distribution (OOD) data, but is instead highly correlated with the relative improvement of a single larger model. Second, we show that the OOD performance afforded by ensembles is strongly determined by their in-distribution (InD) performance, and -- in this sense -- is not indicative of any "effective robustness". While deep ensembles are a practical way to achieve improvements to predictive power, uncertainty quantification, and robustness, our results show that these improvements can be replicated by a (larger) single model.

Deep learning models are challenged by the distribution shift between the training data and test data. Recently, the large models pre-trained on diverse data have demonstrated unprecedented robustness to various distribution shifts. However, fine-tuning these models can lead to a trade-off between in-distribution (ID) performance and out-of-distribution (OOD) robustness. Existing methods for tackling this trade-off do not explicitly address the OOD robustness problem. In this paper, based on causal analysis of the aforementioned problems, we propose a novel fine-tuning method, which uses masked images as counterfactual samples that help improve the robustness of the fine-tuning model. Specifically, we mask either the semantics-related or semantics-unrelated patches of the images based on class activation map to break the spurious correlation, and refill the masked patches with patches from other images. The resulting counterfactual samples are used in feature-based distillation with the pre-trained model. Extensive experiments verify that regularizing the fine-tuning with the proposed masked images can achieve a better trade-off between ID and OOD performance, surpassing previous methods on the OOD performance. Our code is available at https://github.com/Coxy7/robust-finetuning.

This paper introduces an efficient fine-tuning method for large pre-trained models, offering strong in-distribution (ID) and out-of-distribution (OOD) performance. Breaking away from traditional practices that need a multitude of fine-tuned models for averaging, our approach employs significantly fewer models to achieve final weights yet yield superior accuracy. Drawing from key insights in the weight space of fine-tuned weights, we uncover a strong link between the performance and proximity to the center of weight space. Based on this, we introduce a method that approximates a center-close weight using only two fine-tuned models, applicable during or after training. Our innovative layer-wise weight averaging technique surpasses state-of-the-art model methods such as Model Soup, utilizing only two fine-tuned models. This strategy can be aptly coined Model Stock, highlighting its reliance on selecting a minimal number of models to draw a more optimized-averaged model. We demonstrate the efficacy of Model Stock with fine-tuned models based upon pre-trained CLIP architectures, achieving remarkable performance on both ID and OOD tasks on the standard benchmarks, all while barely bringing extra computational demands. Our code and pre-trained models are available at https://github.com/naver-ai/model-stock.

We introduce a new framework for molecular graph generation with 3D molecular generative models. Our Synthetic Coordinate Embedding (SyCo) framework maps molecular graphs to Euclidean point clouds via synthetic conformer coordinates and learns the inverse map using an E(n)-Equivariant Graph Neural Network (EGNN). The induced point cloud-structured latent space is well-suited to apply existing 3D molecular generative models. This approach simplifies the graph generation problem - without relying on molecular fragments nor autoregressive decoding - into a point cloud generation problem followed by node and edge classification tasks. Further, we propose a novel similarity-constrained optimization scheme for 3D diffusion models based on inpainting and guidance. As a concrete implementation of our framework, we develop EDM-SyCo based on the E(3) Equivariant Diffusion Model (EDM). EDM-SyCo achieves state-of-the-art performance in distribution learning of molecular graphs, outperforming the best non-autoregressive methods by more than 30% on ZINC250K and 16% on the large-scale GuacaMol dataset while improving conditional generation by up to 3.9 times.

The rapid advancement in large language models (LLMs) has significantly enhanced their ability to generate coherent and contextually relevant text, raising concerns about the misuse of AI-generated content and making it critical to detect it. However, the task remains challenging, particularly in unseen domains or with unfamiliar LLMs. Leveraging LLM next-token distribution outputs offers a theoretically appealing approach for detection, as they encapsulate insights from the models' extensive pre-training on diverse corpora. Despite its promise, zero-shot methods that attempt to operationalize these outputs have met with limited success. We hypothesize that one of the problems is that they use the mean to aggregate next-token distribution metrics across tokens, when some tokens are naturally easier or harder to predict and should be weighted differently. Based on this idea, we propose the Perplexity Attention Weighted Network (PAWN), which uses the last hidden states of the LLM and positions to weight the sum of a series of features based on metrics from the next-token distribution across the sequence length. Although not zero-shot, our method allows us to cache the last hidden states and next-token distribution metrics on disk, greatly reducing the training resource requirements. PAWN shows competitive and even better performance in-distribution than the strongest baselines (fine-tuned LMs) with a fraction of their trainable parameters. Our model also generalizes better to unseen domains and source models, with smaller variability in the decision boundary across distribution shifts. It is also more robust to adversarial attacks, and if the backbone has multilingual capabilities, it presents decent generalization to languages not seen during supervised training, with LLaMA3-1B reaching a mean macro-averaged F1 score of 81.46% in cross-validation with nine languages.

As Large Language Models (LLMs) become increasingly integrated into our daily lives, the potential harms from deceptive behavior underlie the need for faithfully interpreting their decision-making. While traditional probing methods have shown some effectiveness, they remain best for narrowly scoped tasks while more comprehensive explanations are still necessary. To this end, we investigate meta-models-an architecture using a "meta-model" that takes activations from an "input-model" and answers natural language questions about the input-model's behaviors. We evaluate the meta-model's ability to generalize by training them on selected task types and assessing their out-of-distribution performance in deceptive scenarios. Our findings show that meta-models generalize well to out-of-distribution tasks and point towards opportunities for future research in this area. Our code is available at https://github.com/acostarelli/meta-models-public .

Out-of-distribution (OOD) detection is the problem of identifying inputs which are unrelated to the in-distribution task. The OOD detection performance when the in-distribution (ID) is ImageNet-1K is commonly being tested on a small range of test OOD datasets. We find that most of the currently used test OOD datasets, including datasets from the open set recognition (OSR) literature, have severe issues: In some cases more than 50% of the dataset contains objects belonging to one of the ID classes. These erroneous samples heavily distort the evaluation of OOD detectors. As a solution, we introduce with NINCO a novel test OOD dataset, each sample checked to be ID free, which with its fine-grained range of OOD classes allows for a detailed analysis of an OOD detector's strengths and failure modes, particularly when paired with a number of synthetic "OOD unit-tests". We provide detailed evaluations across a large set of architectures and OOD detection methods on NINCO and the unit-tests, revealing new insights about model weaknesses and the effects of pretraining on OOD detection performance. We provide code and data at https://github.com/j-cb/NINCO.

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a threshold on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (Wilds, ImageNet, Breeds, CIFAR, and MNIST). In our experiments, ATC estimates target performance 2-4times more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works. Code is available at https://github.com/saurabhgarg1996/ATC_code/.

Reinforcement learning (RL) theory has largely focused on proving minimax sample complexity bounds. These require strategic exploration algorithms that use relatively limited function classes for representing the policy or value function. Our goal is to explain why deep RL algorithms often perform well in practice, despite using random exploration and much more expressive function classes like neural networks. Our work arrives at an explanation by showing that many stochastic MDPs can be solved by performing only a few steps of value iteration on the random policy's Q function and then acting greedily. When this is true, we find that it is possible to separate the exploration and learning components of RL, making it much easier to analyze. We introduce a new RL algorithm, SQIRL, that iteratively learns a near-optimal policy by exploring randomly to collect rollouts and then performing a limited number of steps of fitted-Q iteration over those rollouts. Any regression algorithm that satisfies basic in-distribution generalization properties can be used in SQIRL to efficiently solve common MDPs. This can explain why deep RL works, since it is empirically established that neural networks generalize well in-distribution. Furthermore, SQIRL explains why random exploration works well in practice. We leverage SQIRL to derive instance-dependent sample complexity bounds for RL that are exponential only in an "effective horizon" of lookahead and on the complexity of the class used for function approximation. Empirically, we also find that SQIRL performance strongly correlates with PPO and DQN performance in a variety of stochastic environments, supporting that our theoretical analysis is predictive of practical performance. Our code and data are available at https://github.com/cassidylaidlaw/effective-horizon.

Generalization to novel compound tasks under distribution shift is important for deploying transformer-based language models (LMs). This work investigates Chain-of-Thought (CoT) reasoning as a means to enhance OOD generalization. Through controlled experiments across several compound tasks, we reveal three key insights: (1) While QA-trained models achieve near-perfect in-distribution accuracy, their OOD performance degrades catastrophically, even with 10000k+ training examples; (2) the granularity of CoT data strongly correlates with generalization performance; finer-grained CoT data leads to better generalization; (3) CoT exhibits remarkable sample efficiency, matching QA performance with much less (even 80%) data. Theoretically, we demonstrate that compound tasks inherently permit shortcuts in Q-A data that misalign with true reasoning principles, while CoT forces internalization of valid dependency structures, and thus can achieve better generalization. Further, we show that transformer positional embeddings can amplify generalization by emphasizing subtask condition recurrence in long CoT sequences. Our combined theoretical and empirical analysis provides compelling evidence for CoT reasoning as a crucial training paradigm for enabling LM generalization under real-world distributional shifts for compound tasks.

Recent offline meta-reinforcement learning (meta-RL) methods typically utilize task-dependent behavior policies (e.g., training RL agents on each individual task) to collect a multi-task dataset. However, these methods always require extra information for fast adaptation, such as offline context for testing tasks. To address this problem, we first formally characterize a unique challenge in offline meta-RL: transition-reward distribution shift between offline datasets and online adaptation. Our theory finds that out-of-distribution adaptation episodes may lead to unreliable policy evaluation and that online adaptation with in-distribution episodes can ensure adaptation performance guarantee. Based on these theoretical insights, we propose a novel adaptation framework, called In-Distribution online Adaptation with uncertainty Quantification (IDAQ), which generates in-distribution context using a given uncertainty quantification and performs effective task belief inference to address new tasks. We find a return-based uncertainty quantification for IDAQ that performs effectively. Experiments show that IDAQ achieves state-of-the-art performance on the Meta-World ML1 benchmark compared to baselines with/without offline adaptation.

In-context learning, a capability that enables a model to learn from input examples on the fly without necessitating weight updates, is a defining characteristic of large language models. In this work, we follow the setting proposed in (Garg et al., 2022) to better understand the generality and limitations of in-context learning from the lens of the simple yet fundamental task of linear regression. The key question we aim to address is: Are transformers more adept than some natural and simpler architectures at performing in-context learning under varying distribution shifts? To compare transformers, we propose to use a simple architecture based on set-based Multi-Layer Perceptrons (MLPs). We find that both transformers and set-based MLPs exhibit in-context learning under in-distribution evaluations, but transformers more closely emulate the performance of ordinary least squares (OLS). Transformers also display better resilience to mild distribution shifts, where set-based MLPs falter. However, under severe distribution shifts, both models' in-context learning abilities diminish.

While deep learning has enjoyed significant success in computer vision tasks over the past decade, many shortcomings still exist from a Cognitive Science (CogSci) perspective. In particular, the ability to subitize, i.e., quickly and accurately identify the small (less than 6) count of items, is not well learned by current Convolutional Neural Networks (CNNs) or Vision Transformers (ViTs) when using a standard cross-entropy (CE) loss. In this paper, we demonstrate that adapting tools used in CogSci research can improve the subitizing generalization of CNNs and ViTs by developing an alternative loss function using Holographic Reduced Representations (HRRs). We investigate how this neuro-symbolic approach to learning affects the subitizing capability of CNNs and ViTs, and so we focus on specially crafted problems that isolate generalization to specific aspects of subitizing. Via saliency maps and out-of-distribution performance, we are able to empirically observe that the proposed HRR loss improves subitizing generalization though it does not completely solve the problem. In addition, we find that ViTs perform considerably worse compared to CNNs in most respects on subitizing, except on one axis where an HRR-based loss provides improvement.

We show that the effectiveness of the well celebrated Mixup [Zhang et al., 2018] can be further improved if instead of using it as the sole learning objective, it is utilized as an additional regularizer to the standard cross-entropy loss. This simple change not only provides much improved accuracy but also significantly improves the quality of the predictive uncertainty estimation of Mixup in most cases under various forms of covariate shifts and out-of-distribution detection experiments. In fact, we observe that Mixup yields much degraded performance on detecting out-of-distribution samples possibly, as we show empirically, because of its tendency to learn models that exhibit high-entropy throughout; making it difficult to differentiate in-distribution samples from out-distribution ones. To show the efficacy of our approach (RegMixup), we provide thorough analyses and experiments on vision datasets (ImageNet & CIFAR-10/100) and compare it with a suite of recent approaches for reliable uncertainty estimation.

Out-of-distribution (OOD) detection is an indispensable aspect of secure AI when deploying machine learning models in real-world applications. Previous paradigms either explore better scoring functions or utilize the knowledge of outliers to equip the models with the ability of OOD detection. However, few of them pay attention to the intrinsic OOD detection capability of the given model. In this work, we generally discover the existence of an intermediate stage of a model trained on in-distribution (ID) data having higher OOD detection performance than that of its final stage across different settings, and further identify one critical data-level attribution to be learning with the atypical samples. Based on such insights, we propose a novel method, Unleashing Mask, which aims to restore the OOD discriminative capabilities of the well-trained model with ID data. Our method utilizes a mask to figure out the memorized atypical samples, and then finetune the model or prune it with the introduced mask to forget them. Extensive experiments and analysis demonstrate the effectiveness of our method. The code is available at: https://github.com/tmlr-group/Unleashing-Mask.

Understanding the performance of machine learning (ML) models across diverse data distributions is critically important for reliable applications. Despite recent empirical studies positing a near-perfect linear correlation between in-distribution (ID) and out-of-distribution (OOD) accuracies, we empirically demonstrate that this correlation is more nuanced under subpopulation shifts. Through rigorous experimentation and analysis across a variety of datasets, models, and training epochs, we demonstrate that OOD performance often has a nonlinear correlation with ID performance in subpopulation shifts. Our findings, which contrast previous studies that have posited a linear correlation in model performance during distribution shifts, reveal a "moon shape" correlation (parabolic uptrend curve) between the test performance on the majority subpopulation and the minority subpopulation. This non-trivial nonlinear correlation holds across model architectures, hyperparameters, training durations, and the imbalance between subpopulations. Furthermore, we found that the nonlinearity of this "moon shape" is causally influenced by the degree of spurious correlations in the training data. Our controlled experiments show that stronger spurious correlation in the training data creates more nonlinear performance correlation. We provide complementary experimental and theoretical analyses for this phenomenon, and discuss its implications for ML reliability and fairness. Our work highlights the importance of understanding the nonlinear effects of model improvement on performance in different subpopulations, and has the potential to inform the development of more equitable and responsible machine learning models.

Detecting out-of-distribution (OOD) samples is important for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. Existing research has mainly focused on unimodal scenarios on image data. However, real-world applications are inherently multimodal, which makes it essential to leverage information from multiple modalities to enhance the efficacy of OOD detection. To establish a foundation for more realistic Multimodal OOD Detection, we introduce the first-of-its-kind benchmark, MultiOOD, characterized by diverse dataset sizes and varying modality combinations. We first evaluate existing unimodal OOD detection algorithms on MultiOOD, observing that the mere inclusion of additional modalities yields substantial improvements. This underscores the importance of utilizing multiple modalities for OOD detection. Based on the observation of Modality Prediction Discrepancy between in-distribution (ID) and OOD data, and its strong correlation with OOD performance, we propose the Agree-to-Disagree (A2D) algorithm to encourage such discrepancy during training. Moreover, we introduce a novel outlier synthesis method, NP-Mix, which explores broader feature spaces by leveraging the information from nearest neighbor classes and complements A2D to strengthen OOD detection performance. Extensive experiments on MultiOOD demonstrate that training with A2D and NP-Mix improves existing OOD detection algorithms by a large margin. Our source code and MultiOOD benchmark are available at https://github.com/donghao51/MultiOOD.

We propose a novel feed-forward 3D editing framework called Shap-Editor. Prior research on editing 3D objects primarily concentrated on editing individual objects by leveraging off-the-shelf 2D image editing networks. This is achieved via a process called distillation, which transfers knowledge from the 2D network to 3D assets. Distillation necessitates at least tens of minutes per asset to attain satisfactory editing results, and is thus not very practical. In contrast, we ask whether 3D editing can be carried out directly by a feed-forward network, eschewing test-time optimisation. In particular, we hypothesise that editing can be greatly simplified by first encoding 3D objects in a suitable latent space. We validate this hypothesis by building upon the latent space of Shap-E. We demonstrate that direct 3D editing in this space is possible and efficient by building a feed-forward editor network that only requires approximately one second per edit. Our experiments show that Shap-Editor generalises well to both in-distribution and out-of-distribution 3D assets with different prompts, exhibiting comparable performance with methods that carry out test-time optimisation for each edited instance.

Pre-trained language models (PLMs) are known to improve the generalization performance of natural language understanding models by leveraging large amounts of data during the pre-training phase. However, the out-of-distribution (OOD) generalization problem remains a challenge in many NLP tasks, limiting the real-world deployment of these methods. This paper presents the first attempt at creating a unified benchmark named GLUE-X for evaluating OOD robustness in NLP models, highlighting the importance of OOD robustness and providing insights on how to measure the robustness of a model and how to improve it. The benchmark includes 13 publicly available datasets for OOD testing, and evaluations are conducted on 8 classic NLP tasks over 21 popularly used PLMs, including GPT-3 and GPT-3.5. Our findings confirm the need for improved OOD accuracy in NLP tasks, as significant performance degradation was observed in all settings compared to in-distribution (ID) accuracy.

Large language models (LLMs), such as GPT-3 and ChatGPT, have demonstrated remarkable results in various natural language processing (NLP) tasks with in-context learning, which involves inference based on a few demonstration examples. Despite their successes in NLP tasks, no investigation has been conducted to assess the ability of LLMs to perform document information extraction (DIE) using in-context learning. Applying LLMs to DIE poses two challenges: the modality and task gap. To this end, we propose a simple but effective in-context learning framework called ICL-D3IE, which enables LLMs to perform DIE with different types of demonstration examples. Specifically, we extract the most difficult and distinct segments from hard training documents as hard demonstrations for benefiting all test instances. We design demonstrations describing relationships that enable LLMs to understand positional relationships. We introduce formatting demonstrations for easy answer extraction. Additionally, the framework improves diverse demonstrations by updating them iteratively. Our experiments on three widely used benchmark datasets demonstrate that the ICL-D3IE framework enables Davinci-003/ChatGPT to achieve superior performance when compared to previous pre-trained methods fine-tuned with full training in both the in-distribution (ID) setting and in the out-of-distribution (OOD) setting. Code is available at https://github.com/MAEHCM/ICL-D3IE.

Computer vision analysis of camera trap video footage is essential for wildlife conservation, as captured behaviours offer some of the earliest indicators of changes in population health. Recently, several high-impact animal behaviour datasets and methods have been introduced to encourage their use; however, the role of behaviour-correlated background information and its significant effect on out-of-distribution generalisation remain unexplored. In response, we present the PanAf-FGBG dataset, featuring 20 hours of wild chimpanzee behaviours, recorded at over 350 individual camera locations. Uniquely, it pairs every video with a chimpanzee (referred to as a foreground video) with a corresponding background video (with no chimpanzee) from the same camera location. We present two views of the dataset: one with overlapping camera locations and one with disjoint locations. This setup enables, for the first time, direct evaluation of in-distribution and out-of-distribution conditions, and for the impact of backgrounds on behaviour recognition models to be quantified. All clips come with rich behavioural annotations and metadata including unique camera IDs and detailed textual scene descriptions. Additionally, we establish several baselines and present a highly effective latent-space normalisation technique that boosts out-of-distribution performance by +5.42% mAP for convolutional and +3.75% mAP for transformer-based models. Finally, we provide an in-depth analysis on the role of backgrounds in out-of-distribution behaviour recognition, including the so far unexplored impact of background durations (i.e., the count of background frames within foreground videos).

The capacity of a modern deep learning system to determine if a sample falls within its realm of knowledge is fundamental and important. In this paper, we offer insights and analyses of recent state-of-the-art out-of-distribution (OOD) detection methods - extremely simple activation shaping (ASH). We demonstrate that activation pruning has a detrimental effect on OOD detection, while activation scaling enhances it. Moreover, we propose SCALE, a simple yet effective post-hoc network enhancement method for OOD detection, which attains state-of-the-art OOD detection performance without compromising in-distribution (ID) accuracy. By integrating scaling concepts into the training process to capture a sample's ID characteristics, we propose Intermediate Tensor SHaping (ISH), a lightweight method for training time OOD detection enhancement. We achieve AUROC scores of +1.85\% for near-OOD and +0.74\% for far-OOD datasets on the OpenOOD v1.5 ImageNet-1K benchmark. Our code and models are available at https://github.com/kai422/SCALE.

Simulation agents are essential for designing and testing systems that interact with humans, such as autonomous vehicles (AVs). These agents serve various purposes, from benchmarking AV performance to stress-testing the system's limits, but all use cases share a key requirement: reliability. A simulation agent should behave as intended by the designer, minimizing unintended actions like collisions that can compromise the signal-to-noise ratio of analyses. As a foundation for reliable sim agents, we propose scaling self-play to thousands of scenarios on the Waymo Open Motion Dataset under semi-realistic limits on human perception and control. Training from scratch on a single GPU, our agents nearly solve the full training set within a day. They generalize effectively to unseen test scenes, achieving a 99.8% goal completion rate with less than 0.8% combined collision and off-road incidents across 10,000 held-out scenarios. Beyond in-distribution generalization, our agents show partial robustness to out-of-distribution scenes and can be fine-tuned in minutes to reach near-perfect performance in those cases. Demonstrations of agent behaviors can be found at this link. We open-source both the pre-trained agents and the complete code base. Demonstrations of agent behaviors can be found at https://sites.google.com/view/reliable-sim-agents.

The robustness of a model for real-world deployment is decided by how well it performs on unseen data and distinguishes between in-domain and out-of-domain samples. Visual document classifiers have shown impressive performance on in-distribution test sets. However, they tend to have a hard time correctly classifying and differentiating out-of-distribution examples. Image-based classifiers lack the text component, whereas multi-modality transformer-based models face the token serialization problem in visual documents due to their diverse layouts. They also require a lot of computing power during inference, making them impractical for many real-world applications. We propose, GVdoc, a graph-based document classification model that addresses both of these challenges. Our approach generates a document graph based on its layout, and then trains a graph neural network to learn node and graph embeddings. Through experiments, we show that our model, even with fewer parameters, outperforms state-of-the-art models on out-of-distribution data while retaining comparable performance on the in-distribution test set.

We introduce UPose3D, a novel approach for multi-view 3D human pose estimation, addressing challenges in accuracy and scalability. Our method advances existing pose estimation frameworks by improving robustness and flexibility without requiring direct 3D annotations. At the core of our method, a pose compiler module refines predictions from a 2D keypoints estimator that operates on a single image by leveraging temporal and cross-view information. Our novel cross-view fusion strategy is scalable to any number of cameras, while our synthetic data generation strategy ensures generalization across diverse actors, scenes, and viewpoints. Finally, UPose3D leverages the prediction uncertainty of both the 2D keypoint estimator and the pose compiler module. This provides robustness to outliers and noisy data, resulting in state-of-the-art performance in out-of-distribution settings. In addition, for in-distribution settings, UPose3D yields performance rivalling methods that rely on 3D annotated data while being the state-of-the-art among methods relying only on 2D supervision.

While large language models (LLMs) have shown exceptional capabilities in understanding complex queries and performing sophisticated tasks, their generalization abilities are often deeply entangled with memorization, necessitating more precise evaluation. To address this challenge, we introduce Scylla, a dynamic evaluation framework that quantitatively measures the generalization abilities of LLMs. Scylla disentangles generalization from memorization via assessing model performance on both in-distribution (ID) and out-of-distribution (OOD) data through 20 tasks across 5 levels of complexity. Through extensive experiments, we uncover a non-monotonic relationship between task complexity and the performance gap between ID and OOD data, which we term the generalization valley. Specifically, this phenomenon reveals a critical threshold - referred to as critical complexity - where reliance on non-generalizable behavior peaks, indicating the upper bound of LLMs' generalization capabilities. As model size increases, the critical complexity shifts toward higher levels of task complexity, suggesting that larger models can handle more complex reasoning tasks before over-relying on memorization. Leveraging Scylla and the concept of critical complexity, we benchmark 28LLMs including both open-sourced models such as LLaMA and Qwen families, and close-sourced models like Claude and GPT, providing a more robust evaluation and establishing a clearer understanding of LLMs' generalization capabilities.

Although action recognition systems can achieve top performance when evaluated on in-distribution test points, they are vulnerable to unanticipated distribution shifts in test data. However, test-time adaptation of video action recognition models against common distribution shifts has so far not been demonstrated. We propose to address this problem with an approach tailored to spatio-temporal models that is capable of adaptation on a single video sample at a step. It consists in a feature distribution alignment technique that aligns online estimates of test set statistics towards the training statistics. We further enforce prediction consistency over temporally augmented views of the same test video sample. Evaluations on three benchmark action recognition datasets show that our proposed technique is architecture-agnostic and able to significantly boost the performance on both, the state of the art convolutional architecture TANet and the Video Swin Transformer. Our proposed method demonstrates a substantial performance gain over existing test-time adaptation approaches in both evaluations of a single distribution shift and the challenging case of random distribution shifts. Code will be available at https://github.com/wlin-at/ViTTA.

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

Large language models (LLMs) often generate inaccurate or fabricated information and generally fail to indicate their confidence, which limits their broader applications. Previous work elicits confidence from LLMs by direct or self-consistency prompting, or constructing specific datasets for supervised finetuning. The prompting-based approaches have inferior performance, and the training-based approaches are limited to binary or inaccurate group-level confidence estimates. In this work, we present the advanced SaySelf, a training framework that teaches LLMs to express more accurate fine-grained confidence estimates. In addition, beyond the confidence scores, SaySelf initiates the process of directing LLMs to produce self-reflective rationales that clearly identify gaps in their parametric knowledge and explain their uncertainty. This is achieved by using an LLM to automatically summarize the uncertainties in specific knowledge via natural language. The summarization is based on the analysis of the inconsistency in multiple sampled reasoning chains, and the resulting data is utilized for supervised fine-tuning. Moreover, we utilize reinforcement learning with a meticulously crafted reward function to calibrate the confidence estimates, motivating LLMs to deliver accurate, high-confidence predictions and to penalize overconfidence in erroneous outputs. Experimental results in both in-distribution and out-of-distribution datasets demonstrate the effectiveness of SaySelf in reducing the confidence calibration error and maintaining the task performance. We show that the generated self-reflective rationales are reasonable and can further contribute to the calibration. The code is made public at https://github.com/xu1868/SaySelf.

What if artificial intelligence could not only solve problems for which it was trained but also learn to teach itself to solve new problems (i.e., meta-learn)? In this study, we demonstrate that a pre-trained transformer fine-tuned with reinforcement learning over multiple episodes develops the ability to solve problems that it has never encountered before - an emergent ability called In-Context Reinforcement Learning (ICRL). This powerful meta-learner not only excels in solving unseen in-distribution environments with remarkable sample efficiency, but also shows strong performance in out-of-distribution environments. In addition, we show that it exhibits robustness to the quality of its training data, seamlessly stitches together behaviors from its context, and adapts to non-stationary environments. These behaviors demonstrate that an RL-trained transformer can iteratively improve upon its own solutions, making it an excellent general-purpose problem solver.

In this work, we present the first application of Reinforcement Learning with Verifiable Reward (RLVR) to an Omni-multimodal large language model in the context of emotion recognition, a task where both visual and audio modalities play crucial roles. We leverage RLVR to optimize the Omni model, significantly enhancing its performance in three key aspects: reasoning capability, emotion recognition accuracy, and generalization ability. The introduction of RLVR not only improves the model's overall performance on in-distribution data but also demonstrates superior robustness when evaluated on out-of-distribution datasets. More importantly, the improved reasoning capability enables clear analysis of the contributions of different modalities, particularly visual and audio information, in the emotion recognition process. This provides valuable insights into the optimization of multimodal large language models.

Current supervised visual detectors, though impressive within their training distribution, often fail to segment out-of-distribution scenes into their constituent entities. Recent test-time adaptation methods use auxiliary self-supervised losses to adapt the network parameters to each test example independently and have shown promising results towards generalization outside the training distribution for the task of image classification. In our work, we find evidence that these losses can be insufficient for instance segmentation tasks, without also considering architectural inductive biases. For image segmentation, recent slot-centric generative models break such dependence on supervision by attempting to segment scenes into entities in a self-supervised manner by reconstructing pixels. Drawing upon these two lines of work, we propose Slot-TTA, a semi-supervised instance segmentation model equipped with a slot-centric inductive bias, that is adapted per scene at test time through gradient descent on reconstruction or novel view synthesis objectives. We show that test-time adaptation in Slot-TTA greatly improves instance segmentation in out-of-distribution scenes. We evaluate Slot-TTA in several 3D and 2D scene instance segmentation benchmarks and show substantial out-of-distribution performance improvements against state-of-the-art supervised feed-forward detectors and self-supervised test-time adaptation methods.

Agents navigating in 3D environments require some form of memory, which should hold a compact and actionable representation of the history of observations useful for decision taking and planning. In most end-to-end learning approaches the representation is latent and usually does not have a clearly defined interpretation, whereas classical robotics addresses this with scene reconstruction resulting in some form of map, usually estimated with geometry and sensor models and/or learning. In this work we propose to learn an actionable representation of the scene independently of the targeted downstream task and without explicitly optimizing reconstruction. The learned representation is optimized by a blind auxiliary agent trained to navigate with it on multiple short sub episodes branching out from a waypoint and, most importantly, without any direct visual observation. We argue and show that the blindness property is important and forces the (trained) latent representation to be the only means for planning. With probing experiments we show that the learned representation optimizes navigability and not reconstruction. On downstream tasks we show that it is robust to changes in distribution, in particular the sim2real gap, which we evaluate with a real physical robot in a real office building, significantly improving performance.

Reinforcement Learning from Human Feedback (RLHF) has greatly improved the performance of modern Large Language Models (LLMs). The RLHF process is resource-intensive and technically challenging, generally requiring a large collection of human preference labels over model-generated outputs. Reinforcement Learning from AI Feedback (RLAIF) addresses this data collection challenge by leveraging synthetic preferences generated by an LLM. However, recent work has shown that synthetic preferences labels may not align well with human preference judgments. To address this, we propose a hybrid approach that unifies RLHF and RLAIF methodologies. We introduce GenRM, an iterative algorithm that trains an LLM on self-generated reasoning traces, leading to synthetic preference labels matching human preference judgments. Empirically, we show that zero-shot LLM-based judgments under-perform compared to Bradley-Terry reward models on in-distribution tasks (between 9-36%). In contrast, GenRM achieves in-distribution accuracy comparable to Bradley-Terry models, while significantly outperforming them on out-of-distribution tasks (between 10-45%). Moreover, GenRM surpasses the performance of using LLMs as judges on both in-distribution (by 9-31%) and out-of-distribution tasks (by 2- 6%). Our results show that combining the strengths of RLHF and RLAIF offers a promising approach for improving the quality of synthetic preference labels.

Reinforcement learning from verifiable rewards (RLVR) has recently gained attention for its ability to elicit self-evolved reasoning capabilitie from base language models without explicit reasoning supervisions, as demonstrated by DeepSeek-R1. While prior work on RLVR has primarily focused on mathematical and coding domains, its applicability to other tasks and domains remains unexplored. In this work, we investigate whether medical reasoning can emerge from RLVR. We introduce Med-RLVR as an initial study of RLVR in the medical domain leveraging medical multiple-choice question answering (MCQA) data as verifiable labels. Our results demonstrate that RLVR is not only effective for math and coding but also extends successfully to medical question answering. Notably, Med-RLVR achieves performance comparable to traditional supervised fine-tuning (SFT) on in-distribution tasks while significantly improving out-of-distribution generalization, with an 8-point accuracy gain. Further analysis of training dynamics reveals that, with no explicit reasoning supervision, reasoning emerges from the 3B-parameter base model. These findings underscore the potential of RLVR in domains beyond math and coding, opening new avenues for its application in knowledge-intensive fields such as medicine.

We introduce GENIUS: a conditional text generation model using sketches as input, which can fill in the missing contexts for a given sketch (key information consisting of textual spans, phrases, or words, concatenated by mask tokens). GENIUS is pre-trained on a large-scale textual corpus with a novel reconstruction from sketch objective using an extreme and selective masking strategy, enabling it to generate diverse and high-quality texts given sketches. Comparison with other competitive conditional language models (CLMs) reveals the superiority of GENIUS's text generation quality. We further show that GENIUS can be used as a strong and ready-to-use data augmentation tool for various natural language processing (NLP) tasks. Most existing textual data augmentation methods are either too conservative, by making small changes to the original text, or too aggressive, by creating entirely new samples. With GENIUS, we propose GeniusAug, which first extracts the target-aware sketches from the original training set and then generates new samples based on the sketches. Empirical experiments on 6 text classification datasets show that GeniusAug significantly improves the models' performance in both in-distribution (ID) and out-of-distribution (OOD) settings. We also demonstrate the effectiveness of GeniusAug on named entity recognition (NER) and machine reading comprehension (MRC) tasks. (Code and models are publicly available at https://github.com/microsoft/SCGLab and https://github.com/beyondguo/genius)

This paper introduce LongViTU, a large-scale (~121k QA pairs, ~900h videos), automatically generated dataset for long-form video understanding. We developed a systematic approach that organizes videos into a hierarchical tree structure and incorporates self-revision mechanisms to ensure high-quality QA pairs. Each QA pair in LongViTU features: 1) long-term context (average certificate length of 4.6 minutes); 2) rich knowledge and condensed reasoning (commonsense, causality, planning, etc.); and 3) explicit timestamp labels for relevant events. LongViTU also serves as a benchmark for instruction following in long-form and streaming video understanding. We evaluate the open-source state-of-the-art long video understanding model, LongVU, and the commercial model, Gemini-1.5-Pro, on our benchmark. They achieve GPT-4 scores of 49.9 and 52.3, respectively, underscoring the substantial challenge posed by our benchmark. Further supervised fine-tuning (SFT) on LongVU led to performance improvements of 12.0% on our benchmark, 2.2% on the in-distribution (ID) benchmark EgoSchema, 1.0%, 2.2% and 1.2% on the out-of-distribution (OOD) benchmarks VideoMME (Long), WorldQA and OpenEQA, respectively. These outcomes demonstrate LongViTU's high data quality and robust OOD generalizability.

In real-world scenarios, extensive manual annotation for continual learning is impractical due to prohibitive costs. Although prior arts, influenced by large-scale webly supervised training, suggest leveraging web-scraped data in continual learning, this poses challenges such as data imbalance, usage restrictions, and privacy concerns. Addressing the risks of continual webly supervised training, we present an online continual learning framework - Generative Name only Continual Learning (G-NoCL). The proposed G-NoCL uses a set of generators G along with the learner. When encountering new concepts (i.e., classes), G-NoCL employs the novel sample complexity-guided data ensembling technique DIverSity and COmplexity enhancing ensemBlER (DISCOBER) to optimally sample training data from generated data. Through extensive experimentation, we demonstrate superior performance of DISCOBER in G-NoCL online CL benchmarks, covering both In-Distribution (ID) and Out-of-Distribution (OOD) generalization evaluations, compared to naive generator-ensembling, web-supervised, and manually annotated data.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Recent advances in monocular depth estimation have been made by incorporating natural language as additional guidance. Although yielding impressive results, the impact of the language prior, particularly in terms of generalization and robustness, remains unexplored. In this paper, we address this gap by quantifying the impact of this prior and introduce methods to benchmark its effectiveness across various settings. We generate "low-level" sentences that convey object-centric, three-dimensional spatial relationships, incorporate them as additional language priors and evaluate their downstream impact on depth estimation. Our key finding is that current language-guided depth estimators perform optimally only with scene-level descriptions and counter-intuitively fare worse with low level descriptions. Despite leveraging additional data, these methods are not robust to directed adversarial attacks and decline in performance with an increase in distribution shift. Finally, to provide a foundation for future research, we identify points of failures and offer insights to better understand these shortcomings. With an increasing number of methods using language for depth estimation, our findings highlight the opportunities and pitfalls that require careful consideration for effective deployment in real-world settings

Recent studies have shown the impressive efficacy of counterfactually augmented data (CAD) for reducing NLU models' reliance on spurious features and improving their generalizability. However, current methods still heavily rely on human efforts or task-specific designs to generate counterfactuals, thereby impeding CAD's applicability to a broad range of NLU tasks. In this paper, we present AutoCAD, a fully automatic and task-agnostic CAD generation framework. AutoCAD first leverages a classifier to unsupervisedly identify rationales as spans to be intervened, which disentangles spurious and causal features. Then, AutoCAD performs controllable generation enhanced by unlikelihood training to produce diverse counterfactuals. Extensive evaluations on multiple out-of-domain and challenge benchmarks demonstrate that AutoCAD consistently and significantly boosts the out-of-distribution performance of powerful pre-trained models across different NLU tasks, which is comparable or even better than previous state-of-the-art human-in-the-loop or task-specific CAD methods. The code is publicly available at https://github.com/thu-coai/AutoCAD.

As advanced image manipulation techniques emerge, detecting the manipulation becomes increasingly important. Despite the success of recent learning-based approaches for image manipulation detection, they typically require expensive pixel-level annotations to train, while exhibiting degraded performance when testing on images that are differently manipulated compared with training images. To address these limitations, we propose weakly-supervised image manipulation detection, such that only binary image-level labels (authentic or tampered with) are required for training purpose. Such a weakly-supervised setting can leverage more training images and has the potential to adapt quickly to new manipulation techniques. To improve the generalization ability, we propose weakly-supervised self-consistency learning (WSCL) to leverage the weakly annotated images. Specifically, two consistency properties are learned: multi-source consistency (MSC) and inter-patch consistency (IPC). MSC exploits different content-agnostic information and enables cross-source learning via an online pseudo label generation and refinement process. IPC performs global pair-wise patch-patch relationship reasoning to discover a complete region of manipulation. Extensive experiments validate that our WSCL, even though is weakly supervised, exhibits competitive performance compared with fully-supervised counterpart under both in-distribution and out-of-distribution evaluations, as well as reasonable manipulation localization ability.

Decomposition-based multi-hop retrieval methods rely on many autoregressive steps to break down complex queries, which breaks end-to-end differentiability and is computationally expensive. Decomposition-free methods tackle this, but current decomposition-free approaches struggle with longer multi-hop problems and generalization to out-of-distribution data. To address these challenges, we introduce GRITHopper-7B, a novel multi-hop dense retrieval model that achieves state-of-the-art performance on both in-distribution and out-of-distribution benchmarks. GRITHopper combines generative and representational instruction tuning by integrating causal language modeling with dense retrieval training. Through controlled studies, we find that incorporating additional context after the retrieval process, referred to as post-retrieval language modeling, enhances dense retrieval performance. By including elements such as final answers during training, the model learns to better contextualize and retrieve relevant information. GRITHopper-7B offers a robust, scalable, and generalizable solution for multi-hop dense retrieval, and we release it to the community for future research and applications requiring multi-hop reasoning and retrieval capabilities.

Two lines of work are taking the central stage in AI research. On the one hand, the community is making increasing efforts to build models that discard spurious correlations and generalize better in novel test environments. Unfortunately, the bitter lesson so far is that no proposal convincingly outperforms a simple empirical risk minimization baseline. On the other hand, large language models (LLMs) have erupted as algorithms able to learn in-context, generalizing on-the-fly to eclectic contextual circumstances that users enforce by means of prompting. In this paper, we argue that context is environment, and posit that in-context learning holds the key to better domain generalization. Via extensive theory and experiments, we show that paying attention to contextx2013x2013unlabeled examples as they arrivex2013x2013allows our proposed In-Context Risk Minimization (ICRM) algorithm to zoom-in on the test environment risk minimizer, leading to significant out-of-distribution performance improvements. From all of this, two messages are worth taking home. Researchers in domain generalization should consider environment as context, and harness the adaptive power of in-context learning. Researchers in LLMs should consider context as environment, to better structure data towards generalization.

Vision models often fail systematically on groups of data that share common semantic characteristics (e.g., rare objects or unusual scenes), but identifying these failure modes is a challenge. We introduce AdaVision, an interactive process for testing vision models which helps users identify and fix coherent failure modes. Given a natural language description of a coherent group, AdaVision retrieves relevant images from LAION-5B with CLIP. The user then labels a small amount of data for model correctness, which is used in successive retrieval rounds to hill-climb towards high-error regions, refining the group definition. Once a group is saturated, AdaVision uses GPT-3 to suggest new group descriptions for the user to explore. We demonstrate the usefulness and generality of AdaVision in user studies, where users find major bugs in state-of-the-art classification, object detection, and image captioning models. These user-discovered groups have failure rates 2-3x higher than those surfaced by automatic error clustering methods. Finally, finetuning on examples found with AdaVision fixes the discovered bugs when evaluated on unseen examples, without degrading in-distribution accuracy, and while also improving performance on out-of-distribution datasets.

Neural language models (LMs) have achieved impressive results on various language-based reasoning tasks by utilizing latent knowledge encoded in their own pretrained parameters. To make this reasoning process more explicit, recent works retrieve a rationalizing LM's internal knowledge by training or prompting it to generate free-text rationales, which can be used to guide task predictions made by either the same LM or a separate reasoning LM. However, rationalizing LMs require expensive rationale annotation and/or computation, without any assurance that their generated rationales improve LM task performance or faithfully reflect LM decision-making. In this paper, we propose PINTO, an LM pipeline that rationalizes via prompt-based learning, and learns to faithfully reason over rationales via counterfactual regularization. First, PINTO maps out a suitable reasoning process for the task input by prompting a frozen rationalizing LM to generate a free-text rationale. Second, PINTO's reasoning LM is fine-tuned to solve the task using the generated rationale as context, while regularized to output less confident predictions when the rationale is perturbed. Across four datasets, we show that PINTO significantly improves the generalization ability of the reasoning LM, yielding higher performance on both in-distribution and out-of-distribution test sets. Also, we find that PINTO's rationales are more faithful to its task predictions than those generated by competitive baselines.

To process novel sentences, language models (LMs) must generalize compositionally -- combine familiar elements in new ways. What aspects of a model's structure promote compositional generalization? Focusing on transformers, we test the hypothesis, motivated by recent theoretical and empirical work, that transformers generalize more compositionally when they are deeper (have more layers). Because simply adding layers increases the total number of parameters, confounding depth and size, we construct three classes of models which trade off depth for width such that the total number of parameters is kept constant (41M, 134M and 374M parameters). We pretrain all models as LMs and fine-tune them on tasks that test for compositional generalization. We report three main conclusions: (1) after fine-tuning, deeper models generalize better out-of-distribution than shallower models do, but the relative benefit of additional layers diminishes rapidly; (2) within each family, deeper models show better language modeling performance, but returns are similarly diminishing; (3) the benefits of depth for compositional generalization cannot be attributed solely to better performance on language modeling or on in-distribution data.

Test-time adaptation (TTA) seeks to tackle potential distribution shifts between training and testing data by adapting a given model w.r.t. any testing sample. This task is particularly important for deep models when the test environment changes frequently. Although some recent attempts have been made to handle this task, we still face two practical challenges: 1) existing methods have to perform backward computation for each test sample, resulting in unbearable prediction cost to many applications; 2) while existing TTA solutions can significantly improve the test performance on out-of-distribution data, they often suffer from severe performance degradation on in-distribution data after TTA (known as catastrophic forgetting). In this paper, we point out that not all the test samples contribute equally to model adaptation, and high-entropy ones may lead to noisy gradients that could disrupt the model. Motivated by this, we propose an active sample selection criterion to identify reliable and non-redundant samples, on which the model is updated to minimize the entropy loss for test-time adaptation. Furthermore, to alleviate the forgetting issue, we introduce a Fisher regularizer to constrain important model parameters from drastic changes, where the Fisher importance is estimated from test samples with generated pseudo labels. Extensive experiments on CIFAR-10-C, ImageNet-C, and ImageNet-R verify the effectiveness of our proposed method.

Few-shot classification is a challenging problem due to the uncertainty caused by using few labelled samples. In the past few years, many methods have been proposed to solve few-shot classification, among which transfer-based methods have proved to achieve the best performance. Following this vein, in this paper we propose a novel transfer-based method that builds on two successive steps: 1) preprocessing the feature vectors so that they become closer to Gaussian-like distributions, and 2) leveraging this preprocessing using an optimal-transport inspired algorithm (in the case of transductive settings). Using standardized vision benchmarks, we prove the ability of the proposed methodology to achieve state-of-the-art accuracy with various datasets, backbone architectures and few-shot settings.

While there has been a growing research interest in developing out-of-distribution (OOD) detection methods, there has been comparably little discussion around how these methods should be evaluated. Given their relevance for safe(r) AI, it is important to examine whether the basis for comparing OOD detection methods is consistent with practical needs. In this work, we take a closer look at the go-to metrics for evaluating OOD detection, and question the approach of exclusively reducing OOD detection to a binary classification task with little consideration for the detection threshold. We illustrate the limitations of current metrics (AUROC & its friends) and propose a new metric - Area Under the Threshold Curve (AUTC), which explicitly penalizes poor separation between ID and OOD samples. Scripts and data are available at https://github.com/glhr/beyond-auroc

Anomaly detection methods identify examples that do not follow the expected behaviour, typically in an unsupervised fashion, by assigning real-valued anomaly scores to the examples based on various heuristics. These scores need to be transformed into actual predictions by thresholding, so that the proportion of examples marked as anomalies equals the expected proportion of anomalies, called contamination factor. Unfortunately, there are no good methods for estimating the contamination factor itself. We address this need from a Bayesian perspective, introducing a method for estimating the posterior distribution of the contamination factor of a given unlabeled dataset. We leverage on outputs of several anomaly detectors as a representation that already captures the basic notion of anomalousness and estimate the contamination using a specific mixture formulation. Empirically on 22 datasets, we show that the estimated distribution is well-calibrated and that setting the threshold using the posterior mean improves the anomaly detectors' performance over several alternative methods. All code is publicly available for full reproducibility.

Quantized neural networks typically require smaller memory footprints and lower computation complexity, which is crucial for efficient deployment. However, quantization inevitably leads to a distribution divergence from the original network, which generally degrades the performance. To tackle this issue, massive efforts have been made, but most existing approaches lack statistical considerations and depend on several manual configurations. In this paper, we present an adaptive-mapping quantization method to learn an optimal latent sub-distribution that is inherent within models and smoothly approximated with a concrete Gaussian Mixture (GM). In particular, the network weights are projected in compliance with the GM-approximated sub-distribution. This sub-distribution evolves along with the weight update in a co-tuning schema guided by the direct task-objective optimization. Sufficient experiments on image classification and object detection over various modern architectures demonstrate the effectiveness, generalization property, and transferability of the proposed method. Besides, an efficient deployment flow for the mobile CPU is developed, achieving up to 7.46times inference acceleration on an octa-core ARM CPU. Our codes have been publicly released at https://github.com/RunpeiDong/DGMS.

Federated learning (FL) is a distributed learning method that offers medical institutes the prospect of collaboration in a global model while preserving the privacy of their patients. Although most medical centers conduct similar medical imaging tasks, their differences, such as specializations, number of patients, and devices, lead to distinctive data distributions. Data heterogeneity poses a challenge for FL and the personalization of the local models. In this work, we investigate an adaptive hierarchical clustering method for FL to produce intermediate semi-global models, so clients with similar data distribution have the chance of forming a more specialized model. Our method forms several clusters consisting of clients with the most similar data distributions; then, each cluster continues to train separately. Inside the cluster, we use meta-learning to improve the personalization of the participants' models. We compare the clustering approach with classical FedAvg and centralized training by evaluating our proposed methods on the HAM10k dataset for skin lesion classification with extreme heterogeneous data distribution. Our experiments demonstrate significant performance gain in heterogeneous distribution compared to standard FL methods in classification accuracy. Moreover, we show that the models converge faster if applied in clusters and outperform centralized training while using only a small subset of data.

The rapid progress in Large Language Models (LLMs) has prompted the creation of numerous benchmarks to evaluate their capabilities.This study focuses on the Comprehensive Medical Benchmark in Chinese (CMB), showcasing how dataset diversity and distribution in supervised fine-tuning (SFT) may enhance LLM performance.Remarkably, We successfully trained a smaller base model to achieve scores comparable to larger models, indicating that a diverse and well-distributed dataset can optimize performance regardless of model size.This study suggests that even smaller models may reach high performance levels with carefully curated and varied datasets.By integrating a wide range of instructional content, our approach addresses potential issues such as data quality inconsistencies. Our results imply that a broader spectrum of training data may enhance a model's ability to generalize and perform effectively across different medical scenarios, highlighting the importance of dataset quality and diversity in fine-tuning processes.

The proliferation of pretrained models, as a result of advancements in pretraining techniques, has led to the emergence of a vast zoo of publicly available models. Effectively utilizing these resources to obtain models with robust out-of-distribution generalization capabilities for downstream tasks has become a crucial area of research. Previous research has primarily focused on identifying the most powerful models within the model zoo, neglecting to fully leverage the diverse inductive biases contained within. This paper argues that the knowledge contained in weaker models is valuable and presents a method for leveraging the diversity within the model zoo to improve out-of-distribution generalization capabilities. Specifically, we investigate the behaviors of various pretrained models across different domains of downstream tasks by characterizing the variations in their encoded representations in terms of two dimensions: diversity shift and correlation shift. This characterization enables us to propose a new algorithm for integrating diverse pretrained models, not limited to the strongest models, in order to achieve enhanced out-of-distribution generalization performance. Our proposed method demonstrates state-of-the-art empirical results on a variety of datasets, thus validating the benefits of utilizing diverse knowledge.

The rapid development of Large Language Models (LLMs) has substantially expanded the range of tasks they can address. In the field of Natural Language Processing (NLP), researchers have shifted their focus from conventional NLP tasks (e.g., sequence tagging and parsing) towards tasks that revolve around aligning with human needs (e.g., brainstorming and email writing). This shift in task distribution imposes new requirements on evaluating these aligned models regarding generality (i.e., assessing performance across diverse scenarios), flexibility (i.e., examining under different protocols), and interpretability (i.e., scrutinizing models with explanations). In this paper, we propose a generative judge with 13B parameters, Auto-J, designed to address these challenges. Our model is trained on user queries and LLM-generated responses under massive real-world scenarios and accommodates diverse evaluation protocols (e.g., pairwise response comparison and single-response evaluation) with well-structured natural language critiques. To demonstrate the efficacy of our approach, we construct a new testbed covering 58 different scenarios. Experimentally, Auto-J outperforms a series of strong competitors, including both open-source and closed-source models, by a large margin. We also provide detailed analysis and case studies to further reveal the potential of our method and make a variety of resources public at https://github.com/GAIR-NLP/auto-j.

Most popular benchmarks for comparing LLMs rely on a limited set of prompt templates, which may not fully capture the LLMs' abilities and can affect the reproducibility of results on leaderboards. Many recent works empirically verify prompt sensitivity and advocate for changes in LLM evaluation. In this paper, we consider the problem of estimating the performance distribution across many prompt variants instead of finding a single prompt to evaluate with. We introduce PromptEval, a method for estimating performance across a large set of prompts borrowing strength across prompts and examples to produce accurate estimates under practical evaluation budgets. The resulting distribution can be used to obtain performance quantiles to construct various robust performance metrics (e.g., top 95% quantile or median). We prove that PromptEval consistently estimates the performance distribution and demonstrate its efficacy empirically on three prominent LLM benchmarks: MMLU, BIG-bench Hard, and LMentry. For example, PromptEval can accurately estimate performance quantiles across 100 prompt templates on MMLU with a budget equivalent to two single-prompt evaluations. Our code and data can be found at https://github.com/felipemaiapolo/prompt-eval.

In math reasoning with large language models (LLMs), fine-tuning data augmentation by query evolution and diverse reasoning paths is empirically verified effective, profoundly narrowing the gap between open-sourced LLMs and cutting-edge proprietary LLMs. In this paper, we conduct an investigation for such data augmentation in math reasoning and are intended to answer: (1) What strategies of data augmentation are more effective; (2) What is the scaling relationship between the amount of augmented data and model performance; and (3) Can data augmentation incentivize generalization to out-of-domain mathematical reasoning tasks? To this end, we create a new dataset, AugGSM8K, by complicating and diversifying the queries from GSM8K and sampling multiple reasoning paths. We obtained a series of LLMs called MuggleMath by fine-tuning on subsets of AugGSM8K. MuggleMath substantially achieves new state-of-the-art on GSM8K (from 54% to 68.4% at the scale of 7B, and from 63.9% to 74.0% at the scale of 13B). A log-linear relationship is presented between MuggleMath's performance and the amount of augmented data. We also find that MuggleMath is weak in out-of-domain math reasoning generalization to MATH. This is attributed to the differences in query distribution between AugGSM8K and MATH which suggest that augmentation on a single benchmark could not help with overall math reasoning performance. Codes and AugGSM8K will be uploaded to https://github.com/OFA-Sys/gsm8k-ScRel.

Context-augmented generation (CAG) techniques, including RAG and ICL, require the efficient combination of multiple contexts to generate responses to user queries. Directly inputting these contexts as a sequence introduces a considerable computational burden by re-encoding the combined selection of contexts for every request. To address this, we explore the promising potential of parallel encoding to independently pre-compute and cache each context's KV states. This approach enables the direct loading of cached states during inference while accommodating more contexts through position reuse across contexts. However, due to misalignments in attention distribution, directly applying parallel encoding results in a significant performance drop. To enable effective and efficient CAG, we propose Adaptive Parallel Encoding (APE), which brings shared prefix, attention temperature, and scaling factor to align the distribution of parallel encoding with sequential encoding. Results on RAG and ICL tasks demonstrate that APE can preserve 98% and 93% sequential encoding performance using the same inputs while outperforming parallel encoding by 3.6% and 7.9%, respectively. It also scales to many-shot CAG, effectively encoding hundreds of contexts in parallel. Efficiency evaluation shows that APE can achieve an end-to-end 4.5times speedup by reducing 28times prefilling time for a 128K-length context.

In recent years, generative pre-trained paradigms such as Large Language Models (LLMs) and Large Vision Models (LVMs) have achieved revolutionary advancements and widespread real-world applications. Particularly, the emergence of pre-trained LLMs-based temporal works, compared to previous deep model approaches, has demonstrated superior generalization and robustness, showcasing the potential of generative pre-trained paradigms as foundation models for time series. However, those LLMs-based works mainly focus on cross-modal research, i.e., leveraging the language capabilities of LLMs in time series contexts. Although they have achieved impressive performance, there still exist the issues of concept drift caused by differences in data distribution and inflexibility caused by misalignment of dimensions. To this end, inspired by recent work on LVMs, we reconsider the paradigm of time series modeling. In this paper, we comprehensively explore, for the first time, the effectiveness and superiority of the Generative Pre-trained Diffusion (GPD) paradigm in real-world multivariate time series forecasting (TSF). Specifically, to mitigate performance bias introduced by sophisticated networks, we propose a straightforward MLP diffusion network for unconditional modeling of time series. Then we employ a zero-shot and tuning-free method to predict (generate) future data using historical data as prompts. The GPD paradigm is established on the time series modality, effectively preventing the phenomenon of concept drift, and enabling flexible forecasting of arbitrary lengths. We demonstrate that the GPD paradigm achieves comprehensive performance and generalization comparable to current SOTA LLM-based and deep model paradigms on mainstream benchmarks and various TSF tasks. Extensive experiments validate the potential of the GPD paradigm and its assistance in future related research.

Existing research on Domain Robustness (DR) suffers from disparate setups, lack of evaluation task variety, and reliance on challenge sets. In this paper, we pose a fundamental question: What is the state of affairs of the DR challenge in the era of Large Language Models (LLMs)? To this end, we construct a DR benchmark comprising diverse NLP tasks, including sentence and token-level classification, QA, and generation, each task consists of several domains. We explore the DR challenge of fine-tuned and few-shot learning models in natural domain shift settings and devise two diagnostic metrics of Out-of-Distribution (OOD) performance degradation: The commonly used Source Drop (SD) and the overlooked Target Drop (TD). Our findings reveal important insights: First, despite their capabilities, zero-to-few shot LLMs and fine-tuning approaches still fail to meet satisfactory performance in the OOD context; Second, TD approximates better than SD the average OOD degradation; Third, in a significant proportion of domain shifts, either SD or TD is positive, but not both, and therefore disregarding one can lead to incorrect DR conclusions.

To mitigate the privacy leakages and communication burdens of Federated Learning (FL), decentralized FL (DFL) discards the central server and each client only communicates with its neighbors in a decentralized communication network. However, existing DFL suffers from high inconsistency among local clients, which results in severe distribution shift and inferior performance compared with centralized FL (CFL), especially on heterogeneous data or sparse communication topology. To alleviate this issue, we propose two DFL algorithms named DFedSAM and DFedSAM-MGS to improve the performance of DFL. Specifically, DFedSAM leverages gradient perturbation to generate local flat models via Sharpness Aware Minimization (SAM), which searches for models with uniformly low loss values. DFedSAM-MGS further boosts DFedSAM by adopting Multiple Gossip Steps (MGS) for better model consistency, which accelerates the aggregation of local flat models and better balances communication complexity and generalization. Theoretically, we present improved convergence rates small Obig(1{KT}+1{T}+1{K^{1/2}T^{3/2}(1-lambda)^2}big) and small Obig(1{KT}+1{T}+lambda^Q+1{K^{1/2}T^{3/2}(1-lambda^Q)^2}big) in non-convex setting for DFedSAM and DFedSAM-MGS, respectively, where 1-lambda is the spectral gap of gossip matrix and Q is the number of MGS. Empirically, our methods can achieve competitive performance compared with CFL methods and outperform existing DFL methods.

Deep learning has recently achieved initial success in program analysis tasks such as bug detection. Lacking real bugs, most existing works construct training and test data by injecting synthetic bugs into correct programs. Despite achieving high test accuracy (e.g., 90%), the resulting bug detectors are found to be surprisingly unusable in practice, i.e., <10% precision when used to scan real software repositories. In this work, we argue that this massive performance difference is caused by a distribution shift, i.e., a fundamental mismatch between the real bug distribution and the synthetic bug distribution used to train and evaluate the detectors. To address this key challenge, we propose to train a bug detector in two phases, first on a synthetic bug distribution to adapt the model to the bug detection domain, and then on a real bug distribution to drive the model towards the real distribution. During these two phases, we leverage a multi-task hierarchy, focal loss, and contrastive learning to further boost performance. We evaluate our approach extensively on three widely studied bug types, for which we construct new datasets carefully designed to capture the real bug distribution. The results demonstrate that our approach is practically effective and successfully mitigates the distribution shift: our learned detectors are highly performant on both our test set and the latest version of open source repositories. Our code, datasets, and models are publicly available at https://github.com/eth-sri/learning-real-bug-detector.

We consider the two related problems of detecting if an example is misclassified or out-of-distribution. We present a simple baseline that utilizes probabilities from softmax distributions. Correctly classified examples tend to have greater maximum softmax probabilities than erroneously classified and out-of-distribution examples, allowing for their detection. We assess performance by defining several tasks in computer vision, natural language processing, and automatic speech recognition, showing the effectiveness of this baseline across all. We then show the baseline can sometimes be surpassed, demonstrating the room for future research on these underexplored detection tasks.

We present a new zero-shot dense retrieval (ZeroDR) method, COCO-DR, to improve the generalization ability of dense retrieval by combating the distribution shifts between source training tasks and target scenarios. To mitigate the impact of document differences, COCO-DR continues pretraining the language model on the target corpora to adapt the model to target distributions via COtinuous COtrastive learning. To prepare for unseen target queries, COCO-DR leverages implicit Distributionally Robust Optimization (iDRO) to reweight samples from different source query clusters for improving model robustness over rare queries during fine-tuning. COCO-DR achieves superior average performance on BEIR, the zero-shot retrieval benchmark. At BERT Base scale, COCO-DR Base outperforms other ZeroDR models with 60x larger size. At BERT Large scale, COCO-DR Large outperforms the giant GPT-3 embedding model which has 500x more parameters. Our analysis show the correlation between COCO-DR's effectiveness in combating distribution shifts and improving zero-shot accuracy. Our code and model can be found at https://github.com/OpenMatch/COCO-DR.

Guidance is a crucial technique for extracting the best performance out of image-generating diffusion models. Traditionally, a constant guidance weight has been applied throughout the sampling chain of an image. We show that guidance is clearly harmful toward the beginning of the chain (high noise levels), largely unnecessary toward the end (low noise levels), and only beneficial in the middle. We thus restrict it to a specific range of noise levels, improving both the inference speed and result quality. This limited guidance interval improves the record FID in ImageNet-512 significantly, from 1.81 to 1.40. We show that it is quantitatively and qualitatively beneficial across different sampler parameters, network architectures, and datasets, including the large-scale setting of Stable Diffusion XL. We thus suggest exposing the guidance interval as a hyperparameter in all diffusion models that use guidance.

Driven by advancements in sensing and computing, deep reinforcement learning (DRL)-based methods have demonstrated significant potential in effectively tackling distribution system restoration (DSR) challenges under uncertain operational scenarios. However, the data-intensive nature of DRL poses obstacles in achieving satisfactory DSR solutions for large-scale, complex distribution systems. Inspired by the transformative impact of emerging foundation models, including large language models (LLMs), across various domains, this paper explores an innovative approach harnessing LLMs' powerful computing capabilities to address scalability challenges inherent in conventional DRL methods for solving DSR. To our knowledge, this study represents the first exploration of foundation models, including LLMs, in revolutionizing conventional DRL applications in power system operations. Our contributions are twofold: 1) introducing a novel LLM-powered Physics-Informed Decision Transformer (PIDT) framework that leverages LLMs to transform conventional DRL methods for DSR operations, and 2) conducting comparative studies to assess the performance of the proposed LLM-powered PIDT framework at its initial development stage for solving DSR problems. While our primary focus in this paper is on DSR operations, the proposed PIDT framework can be generalized to optimize sequential decision-making across various power system operations.

Language models (LMs) have already demonstrated remarkable abilities in understanding and generating both natural and formal language. Despite these advances, their integration with real-world environments such as large-scale knowledge bases (KBs) remains an underdeveloped area, affecting applications such as semantic parsing and indulging in "hallucinated" information. This paper is an experimental investigation aimed at uncovering the robustness challenges that LMs encounter when tasked with knowledge base question answering (KBQA). The investigation covers scenarios with inconsistent data distribution between training and inference, such as generalization to unseen domains, adaptation to various language variations, and transferability across different datasets. Our comprehensive experiments reveal that even when employed with our proposed data augmentation techniques, advanced small and large language models exhibit poor performance in various dimensions. While the LM is a promising technology, the robustness of the current form in dealing with complex environments is fragile and of limited practicality because of the data distribution issue. This calls for future research on data collection and LM learning paradims.

Vertical Federated Learning (VFL) is a crucial paradigm for training machine learning models on feature-partitioned, distributed data. However, due to privacy restrictions, few public real-world VFL datasets exist for algorithm evaluation, and these represent a limited array of feature distributions. Existing benchmarks often resort to synthetic datasets, derived from arbitrary feature splits from a global set, which only capture a subset of feature distributions, leading to inadequate algorithm performance assessment. This paper addresses these shortcomings by introducing two key factors affecting VFL performance - feature importance and feature correlation - and proposing associated evaluation metrics and dataset splitting methods. Additionally, we introduce a real VFL dataset to address the deficit in image-image VFL scenarios. Our comprehensive evaluation of cutting-edge VFL algorithms provides valuable insights for future research in the field.

Denoising diffusion models have emerged as the go-to framework for solving inverse problems in imaging. A critical concern regarding these models is their performance on out-of-distribution (OOD) tasks, which remains an under-explored challenge. Realistic reconstructions inconsistent with the measured data can be generated, hallucinating image features that are uniquely present in the training dataset. To simultaneously enforce data-consistency and leverage data-driven priors, we introduce a novel sampling framework called Steerable Conditional Diffusion. This framework adapts the denoising network specifically to the available measured data. Utilising our proposed method, we achieve substantial enhancements in OOD performance across diverse imaging modalities, advancing the robust deployment of denoising diffusion models in real-world applications.

Clinically deployed deep learning-based segmentation models are known to fail on data outside of their training distributions. While clinicians review the segmentations, these models tend to perform well in most instances, which could exacerbate automation bias. Therefore, detecting out-of-distribution images at inference is critical to warn the clinicians that the model likely failed. This work applied the Mahalanobis distance (MD) post hoc to the bottleneck features of four Swin UNETR and nnU-net models that segmented the liver on T1-weighted magnetic resonance imaging and computed tomography. By reducing the dimensions of the bottleneck features with either principal component analysis or uniform manifold approximation and projection, images the models failed on were detected with high performance and minimal computational load. In addition, this work explored a non-parametric alternative to the MD, a k-th nearest neighbors distance (KNN). KNN drastically improved scalability and performance over MD when both were applied to raw and average-pooled bottleneck features.

Handling distribution shifts from training data, known as out-of-distribution (OOD) generalization, poses a significant challenge in the field of machine learning. While a pre-trained vision-language model like CLIP has demonstrated remarkable zero-shot performance, further adaptation of the model to downstream tasks leads to undesirable degradation for OOD data. In this work, we introduce Sparse Adaptation for Fine-Tuning (SAFT), a method that prevents fine-tuning from forgetting the general knowledge in the pre-trained model. SAFT only updates a small subset of important parameters whose gradient magnitude is large, while keeping the other parameters frozen. SAFT is straightforward to implement and conceptually simple. Extensive experiments show that with only 0.1% of the model parameters, SAFT can significantly improve the performance of CLIP. It consistently outperforms baseline methods across several benchmarks. On the few-shot learning benchmark of ImageNet and its variants, SAFT gives a gain of 5.15% on average over the conventional fine-tuning method in OOD settings.

Human pose and shape (HPS) estimation methods achieve remarkable results. However, current HPS benchmarks are mostly designed to test models in scenarios that are similar to the training data. This can lead to critical situations in real-world applications when the observed data differs significantly from the training data and hence is out-of-distribution (OOD). It is therefore important to test and improve the OOD robustness of HPS methods. To address this fundamental problem, we develop a simulator that can be controlled in a fine-grained manner using interpretable parameters to explore the manifold of images of human pose, e.g. by varying poses, shapes, and clothes. We introduce a learning-based testing method, termed PoseExaminer, that automatically diagnoses HPS algorithms by searching over the parameter space of human pose images to find the failure modes. Our strategy for exploring this high-dimensional parameter space is a multi-agent reinforcement learning system, in which the agents collaborate to explore different parts of the parameter space. We show that our PoseExaminer discovers a variety of limitations in current state-of-the-art models that are relevant in real-world scenarios but are missed by current benchmarks. For example, it finds large regions of realistic human poses that are not predicted correctly, as well as reduced performance for humans with skinny and corpulent body shapes. In addition, we show that fine-tuning HPS methods by exploiting the failure modes found by PoseExaminer improve their robustness and even their performance on standard benchmarks by a significant margin. The code are available for research purposes.

Semantic segmentation models classify pixels into a set of known (``in-distribution'') visual classes. When deployed in an open world, the reliability of these models depends on their ability not only to classify in-distribution pixels but also to detect out-of-distribution (OoD) pixels. Historically, the poor OoD detection performance of these models has motivated the design of methods based on model re-training using synthetic training images that include OoD visual objects. Although successful, these re-trained methods have two issues: 1) their in-distribution segmentation accuracy may drop during re-training, and 2) their OoD detection accuracy does not generalise well to new contexts (e.g., country surroundings) outside the training set (e.g., city surroundings). In this paper, we mitigate these issues with: (i) a new residual pattern learning (RPL) module that assists the segmentation model to detect OoD pixels without affecting the inlier segmentation performance; and (ii) a novel context-robust contrastive learning (CoroCL) that enforces RPL to robustly detect OoD pixels among various contexts. Our approach improves by around 10\% FPR and 7\% AuPRC the previous state-of-the-art in Fishyscapes, Segment-Me-If-You-Can, and RoadAnomaly datasets. Our code is available at: https://github.com/yyliu01/RPL.

The surge in Large Language Models (LLMs) has revolutionized natural language processing, but fine-tuning them for specific tasks often encounters challenges in balancing performance and preserving general instruction-following abilities. In this paper, we posit that the distribution gap between task datasets and the LLMs serves as the primary underlying cause. To address the problem, we introduce Self-Distillation Fine-Tuning (SDFT), a novel approach that bridges the distribution gap by guiding fine-tuning with a distilled dataset generated by the model itself to match its original distribution. Experimental results on the Llama-2-chat model across various benchmarks demonstrate that SDFT effectively mitigates catastrophic forgetting while achieving comparable or superior performance on downstream tasks compared to the vanilla fine-tuning. Moreover, SDFT demonstrates the potential to maintain the helpfulness and safety alignment of LLMs. Our code is available at https://github.com/sail-sg/sdft.

Pre-trained language models (PLMs) have become a prevalent technique in deep learning for code, utilizing a two-stage pre-training and fine-tuning procedure to acquire general knowledge about code and specialize in a variety of downstream tasks. However, the dynamic nature of software codebases poses a challenge to the effectiveness and robustness of PLMs. In particular, world-realistic scenarios potentially lead to significant differences between the distribution of the pre-training and test data, i.e., distribution shift, resulting in a degradation of the PLM's performance on downstream tasks. In this paper, we stress the need for adapting PLMs of code to software data whose distribution changes over time, a crucial problem that has been overlooked in previous works. The motivation of this work is to consider the PLM in a non-stationary environment, where fine-tuning data evolves over time according to a software evolution scenario. Specifically, we design a scenario where the model needs to learn from a stream of programs containing new, unseen APIs over time. We study two widely used PLM architectures, i.e., a GPT2 decoder and a RoBERTa encoder, on two downstream tasks, API call and API usage prediction. We demonstrate that the most commonly used fine-tuning technique from prior work is not robust enough to handle the dynamic nature of APIs, leading to the loss of previously acquired knowledge i.e., catastrophic forgetting. To address these issues, we implement five continual learning approaches, including replay-based and regularization-based methods. Our findings demonstrate that utilizing these straightforward methods effectively mitigates catastrophic forgetting in PLMs across both downstream tasks while achieving comparable or superior performance.

Machine learning models frequently experience performance drops under distribution shifts. The underlying cause of such shifts may be multiple simultaneous factors such as changes in data quality, differences in specific covariate distributions, or changes in the relationship between label and features. When a model does fail during deployment, attributing performance change to these factors is critical for the model developer to identify the root cause and take mitigating actions. In this work, we introduce the problem of attributing performance differences between environments to distribution shifts in the underlying data generating mechanisms. We formulate the problem as a cooperative game where the players are distributions. We define the value of a set of distributions to be the change in model performance when only this set of distributions has changed between environments, and derive an importance weighting method for computing the value of an arbitrary set of distributions. The contribution of each distribution to the total performance change is then quantified as its Shapley value. We demonstrate the correctness and utility of our method on synthetic, semi-synthetic, and real-world case studies, showing its effectiveness in attributing performance changes to a wide range of distribution shifts.

Data-free Knowledge Distillation (DFKD) has gained popularity recently, with the fundamental idea of carrying out knowledge transfer from a Teacher neural network to a Student neural network in the absence of training data. However, in the Adversarial DFKD framework, the student network's accuracy, suffers due to the non-stationary distribution of the pseudo-samples under multiple generator updates. To this end, at every generator update, we aim to maintain the student's performance on previously encountered examples while acquiring knowledge from samples of the current distribution. Thus, we propose a meta-learning inspired framework by treating the task of Knowledge-Acquisition (learning from newly generated samples) and Knowledge-Retention (retaining knowledge on previously met samples) as meta-train and meta-test, respectively. Hence, we dub our method as Learning to Retain while Acquiring. Moreover, we identify an implicit aligning factor between the Knowledge-Retention and Knowledge-Acquisition tasks indicating that the proposed student update strategy enforces a common gradient direction for both tasks, alleviating interference between the two objectives. Finally, we support our hypothesis by exhibiting extensive evaluation and comparison of our method with prior arts on multiple datasets.

Self-supervised representation learning has proved to be a valuable component for out-of-distribution (OoD) detection with only the texts of in-distribution (ID) examples. These approaches either train a language model from scratch or fine-tune a pre-trained language model using ID examples, and then take the perplexity output by the language model as OoD scores. In this paper, we analyze the complementary characteristics of both OoD detection methods and propose a multi-level knowledge distillation approach that integrates their strengths while mitigating their limitations. Specifically, we use a fine-tuned model as the teacher to teach a randomly initialized student model on the ID examples. Besides the prediction layer distillation, we present a similarity-based intermediate layer distillation method to thoroughly explore the representation space of the teacher model. In this way, the learned student can better represent the ID data manifold while gaining a stronger ability to map OoD examples outside the ID data manifold with the regularization inherited from pre-training. Besides, the student model sees only ID examples during parameter learning, further promoting more distinguishable features for OoD detection. We conduct extensive experiments over multiple benchmark datasets, i.e., CLINC150, SST, ROSTD, 20 NewsGroups, and AG News; showing that the proposed method yields new state-of-the-art performance. We also explore its application as an AIGC detector to distinguish between answers generated by ChatGPT and human experts. It is observed that our model exceeds human evaluators in the pair-expert task on the Human ChatGPT Comparison Corpus.

Irregular sampling intervals and missing values in real-world time series data present challenges for conventional methods that assume consistent intervals and complete data. Neural Ordinary Differential Equations (Neural ODEs) offer an alternative approach, utilizing neural networks combined with ODE solvers to learn continuous latent representations through parameterized vector fields. Neural Stochastic Differential Equations (Neural SDEs) extend Neural ODEs by incorporating a diffusion term, although this addition is not trivial, particularly when addressing irregular intervals and missing values. Consequently, careful design of drift and diffusion functions is crucial for maintaining stability and enhancing performance, while incautious choices can result in adverse properties such as the absence of strong solutions, stochastic destabilization, or unstable Euler discretizations, significantly affecting Neural SDEs' performance. In this study, we propose three stable classes of Neural SDEs: Langevin-type SDE, Linear Noise SDE, and Geometric SDE. Then, we rigorously demonstrate their robustness in maintaining excellent performance under distribution shift, while effectively preventing overfitting. To assess the effectiveness of our approach, we conduct extensive experiments on four benchmark datasets for interpolation, forecasting, and classification tasks, and analyze the robustness of our methods with 30 public datasets under different missing rates. Our results demonstrate the efficacy of the proposed method in handling real-world irregular time series data.

Scene flow estimation predicts the 3D motion at each point in successive LiDAR scans. This detailed, point-level, information can help autonomous vehicles to accurately predict and understand dynamic changes in their surroundings. Current state-of-the-art methods require annotated data to train scene flow networks and the expense of labeling inherently limits their scalability. Self-supervised approaches can overcome the above limitations, yet face two principal challenges that hinder optimal performance: point distribution imbalance and disregard for object-level motion constraints. In this paper, we propose SeFlow, a self-supervised method that integrates efficient dynamic classification into a learning-based scene flow pipeline. We demonstrate that classifying static and dynamic points helps design targeted objective functions for different motion patterns. We also emphasize the importance of internal cluster consistency and correct object point association to refine the scene flow estimation, in particular on object details. Our real-time capable method achieves state-of-the-art performance on the self-supervised scene flow task on Argoverse 2 and Waymo datasets. The code is open-sourced at https://github.com/KTH-RPL/SeFlow along with trained model weights.

In the field of text-to-motion generation, Bert-type Masked Models (MoMask, MMM) currently produce higher-quality outputs compared to GPT-type autoregressive models (T2M-GPT). However, these Bert-type models often lack the streaming output capability required for applications in video game and multimedia environments, a feature inherent to GPT-type models. Additionally, they demonstrate weaker performance in out-of-distribution generation. To surpass the quality of BERT-type models while leveraging a GPT-type structure, without adding extra refinement models that complicate scaling data, we propose a novel architecture, Mogo (Motion Only Generate Once), which generates high-quality lifelike 3D human motions by training a single transformer model. Mogo consists of only two main components: 1) RVQ-VAE, a hierarchical residual vector quantization variational autoencoder, which discretizes continuous motion sequences with high precision; 2) Hierarchical Causal Transformer, responsible for generating the base motion sequences in an autoregressive manner while simultaneously inferring residuals across different layers. Experimental results demonstrate that Mogo can generate continuous and cyclic motion sequences up to 260 frames (13 seconds), surpassing the 196 frames (10 seconds) length limitation of existing datasets like HumanML3D. On the HumanML3D test set, Mogo achieves a FID score of 0.079, outperforming both the GPT-type model T2M-GPT (FID = 0.116), AttT2M (FID = 0.112) and the BERT-type model MMM (FID = 0.080). Furthermore, our model achieves the best quantitative performance in out-of-distribution generation.

Modern deep convolutional networks (CNNs) are often criticized for not generalizing under distributional shifts. However, several recent breakthroughs in transfer learning suggest that these networks can cope with severe distribution shifts and successfully adapt to new tasks from a few training examples. In this work we study the interplay between out-of-distribution and transfer performance of modern image classification CNNs for the first time and investigate the impact of the pre-training data size, the model scale, and the data preprocessing pipeline. We find that increasing both the training set and model sizes significantly improve the distributional shift robustness. Furthermore, we show that, perhaps surprisingly, simple changes in the preprocessing such as modifying the image resolution can significantly mitigate robustness issues in some cases. Finally, we outline the shortcomings of existing robustness evaluation datasets and introduce a synthetic dataset SI-Score we use for a systematic analysis across factors of variation common in visual data such as object size and position.

Attention-based models trained on protein sequences have demonstrated incredible success at classification and generation tasks relevant for artificial intelligence-driven protein design. However, we lack a sufficient understanding of how very large-scale models and data play a role in effective protein model development. We introduce a suite of protein language models, named ProGen2, that are scaled up to 6.4B parameters and trained on different sequence datasets drawn from over a billion proteins from genomic, metagenomic, and immune repertoire databases. ProGen2 models show state-of-the-art performance in capturing the distribution of observed evolutionary sequences, generating novel viable sequences, and predicting protein fitness without additional finetuning. As large model sizes and raw numbers of protein sequences continue to become more widely accessible, our results suggest that a growing emphasis needs to be placed on the data distribution provided to a protein sequence model. We release the ProGen2 models and code at https://github.com/salesforce/progen.

While state-of-the-art NLP models have been achieving the excellent performance of a wide range of tasks in recent years, important questions are being raised about their robustness and their underlying sensitivity to systematic biases that may exist in their training and test data. Such issues come to be manifest in performance problems when faced with out-of-distribution data in the field. One recent solution has been to use counterfactually augmented datasets in order to reduce any reliance on spurious patterns that may exist in the original data. Producing high-quality augmented data can be costly and time-consuming as it usually needs to involve human feedback and crowdsourcing efforts. In this work, we propose an alternative by describing and evaluating an approach to automatically generating counterfactual data for data augmentation and explanation. A comprehensive evaluation on several different datasets and using a variety of state-of-the-art benchmarks demonstrate how our approach can achieve significant improvements in model performance when compared to models training on the original data and even when compared to models trained with the benefit of human-generated augmented data.

Speech language models have significantly advanced in generating realistic speech, with neural codec language models standing out. However, the integration of human feedback to align speech outputs to human preferences is often neglected. This paper addresses this gap by first analyzing the distribution gap in codec language models, highlighting how it leads to discrepancies between the training and inference phases, which negatively affects performance. Then we explore leveraging learning from human feedback to bridge the distribution gap. We introduce SpeechAlign, an iterative self-improvement strategy that aligns speech language models to human preferences. SpeechAlign involves constructing a preference codec dataset contrasting golden codec tokens against synthetic tokens, followed by preference optimization to improve the codec language model. This cycle of improvement is carried out iteratively to steadily convert weak models to strong ones. Through both subjective and objective evaluations, we show that SpeechAlign can bridge the distribution gap and facilitating continuous self-improvement of the speech language model. Moreover, SpeechAlign exhibits robust generalization capabilities and works for smaller models. Code and models will be available at https://github.com/0nutation/SpeechGPT.

Domain adaptation (DA) aims to transfer knowledge from a fully labeled source to a scarcely labeled or totally unlabeled target under domain shift. Recently, semi-supervised learning-based (SSL) techniques that leverage pseudo labeling have been increasingly used in DA. Despite the competitive performance, these pseudo labeling methods rely heavily on the source domain to generate pseudo labels for the target domain and therefore still suffer considerably from source data bias. Moreover, class distribution bias in the target domain is also often ignored in the pseudo label generation and thus leading to further deterioration of performance. In this paper, we propose GeT that learns a non-bias target embedding distribution with high quality pseudo labels. Specifically, we formulate an online target generative classifier to induce the target distribution into distinctive Gaussian components weighted by their class priors to mitigate source data bias and enhance target class discriminability. We further propose a structure similarity regularization framework to alleviate target class distribution bias and further improve target class discriminability. Experimental results show that our proposed GeT is effective and achieves consistent improvements under various DA settings with and without class distribution bias. Our code is available at: https://lulusindazc.github.io/getproject/.

The advent of the Transformer has led to the development of large language models (LLM), which appear to demonstrate human-like capabilities. To assess the generality of this class of models and a variety of other base neural network architectures to multimodal domains, we evaluated and compared their capacity for multimodal generalization. We introduce a multimodal question-answer benchmark to evaluate three specific types of out-of-distribution (OOD) generalization performance: distractor generalization (generalization in the presence of distractors), systematic compositional generalization (generalization to new task permutations), and productive compositional generalization (generalization to more complex tasks structures). We found that across model architectures (e.g., RNNs, Transformers, Perceivers, etc.), models with multiple attention layers, or models that leveraged cross-attention mechanisms between input domains, fared better. Our positive results demonstrate that for multimodal distractor and systematic generalization, either cross-modal attention or models with deeper attention layers are key architectural features required to integrate multimodal inputs. On the other hand, neither of these architectural features led to productive generalization, suggesting fundamental limitations of existing architectures for specific types of multimodal generalization. These results demonstrate the strengths and limitations of specific architectural components underlying modern neural models for multimodal reasoning. Finally, we provide Generic COG (gCOG), a configurable benchmark with several multimodal generalization splits, for future studies to explore.

As the research of Multimodal Large Language Models (MLLMs) becomes popular, an advancing MLLM model is typically required to handle various textual and visual tasks (e.g., VQA, Detection, OCR, and ChartQA) simultaneously for real-world applications. However, due to the significant differences in representation and distribution among data from various tasks, simply mixing data of all tasks together leads to the well-known``multi-task conflict" issue, resulting in performance degradation across various tasks. To address this issue, we propose Awaker2.5-VL, a Mixture of Experts~(MoE) architecture suitable for MLLM, which acquires the multi-task capabilities through multiple sparsely activated experts. To speed up the training and inference of Awaker2.5-VL, each expert in our model is devised as a low-rank adaptation (LoRA) structure. Extensive experiments on multiple latest benchmarks demonstrate the effectiveness of Awaker2.5-VL. The code and model weight are released in our Project Page: https://github.com/MetabrainAGI/Awaker.

Multi-task learning (MTL) compresses the information from multiple tasks into a unified backbone to improve computational efficiency and generalization. Recent work directly merges multiple independently trained models to perform MTL instead of collecting their raw data for joint training, greatly expanding the application scenarios of MTL. However, by visualizing the representation distribution of existing model merging schemes, we find that the merged model often suffers from the dilemma of representation bias. That is, there is a significant discrepancy in the representation distribution between the merged and individual models, resulting in poor performance of merged MTL. In this paper, we propose a representation surgery solution called "Surgery" to reduce representation bias in the merged model. Specifically, Surgery is a lightweight task-specific module that takes the representation of the merged model as input and attempts to output the biases contained in the representation from the merged model. We then designed an unsupervised optimization objective that updates the Surgery module by minimizing the distance between the merged model's representation and the individual model's representation. Extensive experiments demonstrate significant MTL performance improvements when our Surgery module is applied to state-of-the-art (SOTA) model merging schemes.

We teach goal-driven agents to interactively act and speak in situated environments by training on generated curriculums. Our agents operate in LIGHT (Urbanek et al. 2019) -- a large-scale crowd-sourced fantasy text adventure game wherein an agent perceives and interacts with the world through textual natural language. Goals in this environment take the form of character-based quests, consisting of personas and motivations. We augment LIGHT by learning to procedurally generate additional novel textual worlds and quests to create a curriculum of steadily increasing difficulty for training agents to achieve such goals. In particular, we measure curriculum difficulty in terms of the rarity of the quest in the original training distribution -- an easier environment is one that is more likely to have been found in the unaugmented dataset. An ablation study shows that this method of learning from the tail of a distribution results in significantly higher generalization abilities as measured by zero-shot performance on never-before-seen quests.

We study the problem of temporal-difference-based policy evaluation in reinforcement learning. In particular, we analyse the use of a distributional reinforcement learning algorithm, quantile temporal-difference learning (QTD), for this task. We reach the surprising conclusion that even if a practitioner has no interest in the return distribution beyond the mean, QTD (which learns predictions about the full distribution of returns) may offer performance superior to approaches such as classical TD learning, which predict only the mean return, even in the tabular setting.

Numerous adversarial attack methods have been developed to generate imperceptible image perturbations that can cause erroneous predictions of state-of-the-art machine learning (ML) models, in particular, deep neural networks (DNNs). Despite intense research on adversarial attacks, little effort was made to uncover 'arcana' carried in adversarial attacks. In this work, we ask whether it is possible to infer data-agnostic victim model (VM) information (i.e., characteristics of the ML model or DNN used to generate adversarial attacks) from data-specific adversarial instances. We call this 'model parsing of adversarial attacks' - a task to uncover 'arcana' in terms of the concealed VM information in attacks. We approach model parsing via supervised learning, which correctly assigns classes of VM's model attributes (in terms of architecture type, kernel size, activation function, and weight sparsity) to an attack instance generated from this VM. We collect a dataset of adversarial attacks across 7 attack types generated from 135 victim models (configured by 5 architecture types, 3 kernel size setups, 3 activation function types, and 3 weight sparsity ratios). We show that a simple, supervised model parsing network (MPN) is able to infer VM attributes from unseen adversarial attacks if their attack settings are consistent with the training setting (i.e., in-distribution generalization assessment). We also provide extensive experiments to justify the feasibility of VM parsing from adversarial attacks, and the influence of training and evaluation factors in the parsing performance (e.g., generalization challenge raised in out-of-distribution evaluation). We further demonstrate how the proposed MPN can be used to uncover the source VM attributes from transfer attacks, and shed light on a potential connection between model parsing and attack transferability.

Low-quality or scarce data has posed significant challenges for training deep neural networks in practice. While classical data augmentation cannot contribute very different new data, diffusion models opens up a new door to build self-evolving AI by generating high-quality and diverse synthetic data through text-guided prompts. However, text-only guidance cannot control synthetic images' proximity to the original images, resulting in out-of-distribution data detrimental to the model performance. To overcome the limitation, we study image guidance to achieve a spectrum of interpolations between synthetic and real images. With stronger image guidance, the generated images are similar to the training data but hard to learn. While with weaker image guidance, the synthetic images will be easier for model but contribute to a larger distribution gap with the original data. The generated full spectrum of data enables us to build a novel "Diffusion Curriculum (DisCL)". DisCL adjusts the image guidance level of image synthesis for each training stage: It identifies and focuses on hard samples for the model and assesses the most effective guidance level of synthetic images to improve hard data learning. We apply DisCL to two challenging tasks: long-tail (LT) classification and learning from low-quality data. It focuses on lower-guidance images of high-quality to learn prototypical features as a warm-up of learning higher-guidance images that might be weak on diversity or quality. Extensive experiments showcase a gain of 2.7% and 2.1% in OOD and ID macro-accuracy when applying DisCL to iWildCam dataset. On ImageNet-LT, DisCL improves the base model's tail-class accuracy from 4.4% to 23.64% and leads to a 4.02% improvement in all-class accuracy.

Recent work has raised concerns about the inherent limitations of text-only pretraining. In this paper, we first demonstrate that reporting bias, the tendency of people to not state the obvious, is one of the causes of this limitation, and then investigate to what extent multimodal training can mitigate this issue. To accomplish this, we 1) generate the Color Dataset (CoDa), a dataset of human-perceived color distributions for 521 common objects; 2) use CoDa to analyze and compare the color distribution found in text, the distribution captured by language models, and a human's perception of color; and 3) investigate the performance differences between text-only and multimodal models on CoDa. Our results show that the distribution of colors that a language model recovers correlates more strongly with the inaccurate distribution found in text than with the ground-truth, supporting the claim that reporting bias negatively impacts and inherently limits text-only training. We then demonstrate that multimodal models can leverage their visual training to mitigate these effects, providing a promising avenue for future research.

In this paper, we introduce Selective-distillation for Class and Architecture-agnostic unleaRning (SCAR), a novel approximate unlearning method. SCAR efficiently eliminates specific information while preserving the model's test accuracy without using a retain set, which is a key component in state-of-the-art approximate unlearning algorithms. Our approach utilizes a modified Mahalanobis distance to guide the unlearning of the feature vectors of the instances to be forgotten, aligning them to the nearest wrong class distribution. Moreover, we propose a distillation-trick mechanism that distills the knowledge of the original model into the unlearning model with out-of-distribution images for retaining the original model's test performance without using any retain set. Importantly, we propose a self-forget version of SCAR that unlearns without having access to the forget set. We experimentally verified the effectiveness of our method, on three public datasets, comparing it with state-of-the-art methods. Our method obtains performance higher than methods that operate without the retain set and comparable w.r.t the best methods that rely on the retain set.

Single-source domain generalization attempts to learn a model on a source domain and deploy it to unseen target domains. Limiting access only to source domain data imposes two key challenges - how to train a model that can generalize and how to verify that it does. The standard practice of validation on the training distribution does not accurately reflect the model's generalization ability, while validation on the test distribution is a malpractice to avoid. In this work, we construct an independent validation set by transforming source domain images with a comprehensive list of augmentations, covering a broad spectrum of potential distribution shifts in target domains. We demonstrate a high correlation between validation and test performance for multiple methods and across various datasets. The proposed validation achieves a relative accuracy improvement over the standard validation equal to 15.4% or 1.6% when used for method selection or learning rate tuning, respectively. Furthermore, we introduce a novel family of methods that increase the shape bias through enhanced edge maps. To benefit from the augmentations during training and preserve the independence of the validation set, a k-fold validation process is designed to separate the augmentation types used in training and validation. The method that achieves the best performance on the augmented validation is selected from the proposed family. It achieves state-of-the-art performance on various standard benchmarks. Code at: https://github.com/NikosEfth/crafting-shifts

In this work, we explore the mechanism of in-context learning (ICL) on out-of-distribution (OOD) tasks that were not encountered during training. To achieve this, we conduct synthetic experiments where the objective is to learn OOD mathematical functions through ICL using a GPT-2 model. We reveal that Transformers may struggle to learn OOD task functions through ICL. Specifically, ICL performance resembles implementing a function within the pretraining hypothesis space and optimizing it with gradient descent based on the in-context examples. Additionally, we investigate ICL's well-documented ability to learn unseen abstract labels in context. We demonstrate that such ability only manifests in the scenarios without distributional shifts and, therefore, may not serve as evidence of new-task-learning ability. Furthermore, we assess ICL's performance on OOD tasks when the model is pretrained on multiple tasks. Both empirical and theoretical analyses demonstrate the existence of the low-test-error preference of ICL, where it tends to implement the pretraining function that yields low test error in the testing context. We validate this through numerical experiments. This new theoretical result, combined with our empirical findings, elucidates the mechanism of ICL in addressing OOD tasks.

Recent advancements in video large multimodal models (LMMs) have significantly improved their video understanding and reasoning capabilities. However, their performance drops on out-of-distribution (OOD) tasks that are underrepresented in training data. Traditional methods like fine-tuning on OOD datasets are impractical due to high computational costs. While In-context learning (ICL) with demonstration examples has shown promising generalization performance in language tasks and image-language tasks without fine-tuning, applying ICL to video-language tasks faces challenges due to the limited context length in Video LMMs, as videos require longer token lengths. To address these issues, we propose VideoICL, a novel video in-context learning framework for OOD tasks that introduces a similarity-based relevant example selection strategy and a confidence-based iterative inference approach. This allows to select the most relevant examples and rank them based on similarity, to be used for inference. If the generated response has low confidence, our framework selects new examples and performs inference again, iteratively refining the results until a high-confidence response is obtained. This approach improves OOD video understanding performance by extending effective context length without incurring high costs. The experimental results on multiple benchmarks demonstrate significant performance gains, especially in domain-specific scenarios, laying the groundwork for broader video comprehension applications. Code will be released at https://github.com/KangsanKim07/VideoICL

Anomaly Detection (AD) in images is a fundamental computer vision problem and refers to identifying images and image substructures that deviate significantly from the norm. Popular AD algorithms commonly try to learn a model of normality from scratch using task specific datasets, but are limited to semi-supervised approaches employing mostly normal data due to the inaccessibility of anomalies on a large scale combined with the ambiguous nature of anomaly appearance. We follow an alternative approach and demonstrate that deep feature representations learned by discriminative models on large natural image datasets are well suited to describe normality and detect even subtle anomalies in a transfer learning setting. Our model of normality is established by fitting a multivariate Gaussian (MVG) to deep feature representations of classification networks trained on ImageNet using normal data only. By subsequently applying the Mahalanobis distance as the anomaly score we outperform the current state of the art on the public MVTec AD dataset, achieving an AUROC value of 95.8 pm 1.2 (mean pm SEM) over all 15 classes. We further investigate why the learned representations are discriminative to the AD task using Principal Component Analysis. We find that the principal components containing little variance in normal data are the ones crucial for discriminating between normal and anomalous instances. This gives a possible explanation to the often sub-par performance of AD approaches trained from scratch using normal data only. By selectively fitting a MVG to these most relevant components only, we are able to further reduce model complexity while retaining AD performance. We also investigate setting the working point by selecting acceptable False Positive Rate thresholds based on the MVG assumption. Code available at https://github.com/ORippler/gaussian-ad-mvtec

Super-resolution (SR) techniques designed for real-world applications commonly encounter two primary challenges: generalization performance and restoration accuracy. We demonstrate that when methods are trained using complex, large-range degradations to enhance generalization, a decline in accuracy is inevitable. However, since the degradation in a certain real-world applications typically exhibits a limited variation range, it becomes feasible to strike a trade-off between generalization performance and testing accuracy within this scope. In this work, we introduce a novel approach to craft training degradation distributions using a small set of reference images. Our strategy is founded upon the binned representation of the degradation space and the Fr\'echet distance between degradation distributions. Our results indicate that the proposed technique significantly improves the performance of test images while preserving generalization capabilities in real-world applications.

We present a new loss function for joint disparity and uncertainty estimation in deep stereo matching. Our work is motivated by the need for precise uncertainty estimates and the observation that multi-task learning often leads to improved performance in all tasks. We show that this can be achieved by requiring the distribution of uncertainty to match the distribution of disparity errors via a KL divergence term in the network's loss function. A differentiable soft-histogramming technique is used to approximate the distributions so that they can be used in the loss. We experimentally assess the effectiveness of our approach and observe significant improvements in both disparity and uncertainty prediction on large datasets.

We introduce D-FINE, a powerful real-time object detector that achieves outstanding localization precision by redefining the bounding box regression task in DETR models. D-FINE comprises two key components: Fine-grained Distribution Refinement (FDR) and Global Optimal Localization Self-Distillation (GO-LSD). FDR transforms the regression process from predicting fixed coordinates to iteratively refining probability distributions, providing a fine-grained intermediate representation that significantly enhances localization accuracy. GO-LSD is a bidirectional optimization strategy that transfers localization knowledge from refined distributions to shallower layers through self-distillation, while also simplifying the residual prediction tasks for deeper layers. Additionally, D-FINE incorporates lightweight optimizations in computationally intensive modules and operations, achieving a better balance between speed and accuracy. Specifically, D-FINE-L / X achieves 54.0% / 55.8% AP on the COCO dataset at 124 / 78 FPS on an NVIDIA T4 GPU. When pretrained on Objects365, D-FINE-L / X attains 57.1% / 59.3% AP, surpassing all existing real-time detectors. Furthermore, our method significantly enhances the performance of a wide range of DETR models by up to 5.3% AP with negligible extra parameters and training costs. Our code and pretrained models: https://github.com/Peterande/D-FINE.

Conventional multi-label classification (MLC) methods assume that all samples are fully labeled and identically distributed. Unfortunately, this assumption is unrealistic in large-scale MLC data that has long-tailed (LT) distribution and partial labels (PL). To address the problem, we introduce a novel task, Partial labeling and Long-Tailed Multi-Label Classification (PLT-MLC), to jointly consider the above two imperfect learning environments. Not surprisingly, we find that most LT-MLC and PL-MLC approaches fail to solve the PLT-MLC, resulting in significant performance degradation on the two proposed PLT-MLC benchmarks. Therefore, we propose an end-to-end learning framework: COrrection rightarrow ModificatIon rightarrow balanCe, abbreviated as \method{}. Our bootstrapping philosophy is to simultaneously correct the missing labels (Correction) with convinced prediction confidence over a class-aware threshold and to learn from these recall labels during training. We next propose a novel multi-focal modifier loss that simultaneously addresses head-tail imbalance and positive-negative imbalance to adaptively modify the attention to different samples (Modification) under the LT class distribution. In addition, we develop a balanced training strategy by distilling the model's learning effect from head and tail samples, and thus design a balanced classifier (Balance) conditioned on the head and tail learning effect to maintain stable performance for all samples. Our experimental study shows that the proposed significantly outperforms general MLC, LT-MLC and PL-MLC methods in terms of effectiveness and robustness on our newly created PLT-MLC datasets.

Recent studies indicate that large multimodal models (LMMs) are highly robust against natural distribution shifts, often surpassing previous baselines. Despite this, domain-specific adaptation is still necessary, particularly in specialized areas like healthcare. Due to the impracticality of fine-tuning LMMs given their vast parameter space, this work investigates in-context learning (ICL) as an effective alternative for enhancing LMMs' adaptability. We find that the success of ICL heavily relies on the choice of demonstration, mirroring challenges seen in large language models but introducing unique complexities for LMMs facing distribution shifts. Our study addresses this by evaluating an unsupervised ICL method, TopKNearestPR, which selects in-context examples through a nearest example search based on feature similarity. We uncover that its effectiveness is limited by the deficiencies of pre-trained vision encoders under distribution shift scenarios. To address these challenges, we propose InvariantSelectPR, a novel method leveraging Class-conditioned Contrastive Invariance (CCI) for more robust demonstration selection. Specifically, CCI enhances pre-trained vision encoders by improving their discriminative capabilities across different classes and ensuring invariance to domain-specific variations. This enhancement allows the encoders to effectively identify and retrieve the most informative examples, which are then used to guide LMMs in adapting to new query samples under varying distributions. Our experiments show that InvariantSelectPR substantially improves the adaptability of LMMs, achieving significant performance gains on benchmark datasets, with a 34.2%uparrow accuracy increase in 7-shot on Camelyon17 and 16.9%uparrow increase in 7-shot on HAM10000 compared to the baseline zero-shot performance.

This paper introduces a new testbed CLIFT (Clinical Shift) for the clinical domain Question-answering task. The testbed includes 7.5k high-quality question answering samples to provide a diverse and reliable benchmark. We performed a comprehensive experimental study and evaluated several QA deep-learning models under the proposed testbed. Despite impressive results on the original test set, the performance degrades when applied to new test sets, which shows the distribution shift. Our findings emphasize the need for and the potential for increasing the robustness of clinical domain models under distributional shifts. The testbed offers one way to track progress in that direction. It also highlights the necessity of adopting evaluation metrics that consider robustness to natural distribution shifts. We plan to expand the corpus by adding more samples and model results. The full paper and the updated benchmark are available at github.com/openlifescience-ai/clift

Federated Learning (FL) is a machine learning paradigm that safeguards privacy by retaining client data on edge devices. However, optimizing FL in practice can be challenging due to the diverse and heterogeneous nature of the learning system. Though recent research has focused on improving the optimization of FL when distribution shifts occur among clients, ensuring global performance when multiple types of distribution shifts occur simultaneously among clients -- such as feature distribution shift, label distribution shift, and concept shift -- remain under-explored. In this paper, we identify the learning challenges posed by the simultaneous occurrence of diverse distribution shifts and propose a clustering principle to overcome these challenges. Through our research, we find that existing methods fail to address the clustering principle. Therefore, we propose a novel clustering algorithm framework, dubbed as FedRC, which adheres to our proposed clustering principle by incorporating a bi-level optimization problem and a novel objective function. Extensive experiments demonstrate that FedRC significantly outperforms other SOTA cluster-based FL methods. Our code is available at https://github.com/LINs-lab/FedRC.

Real-world medical image segmentation has tremendous long-tailed complexity of objects, among which tail conditions correlate with relatively rare diseases and are clinically significant. A trustworthy medical AI algorithm should demonstrate its effectiveness on tail conditions to avoid clinically dangerous damage in these out-of-distribution (OOD) cases. In this paper, we adopt the concept of object queries in Mask Transformers to formulate semantic segmentation as a soft cluster assignment. The queries fit the feature-level cluster centers of inliers during training. Therefore, when performing inference on a medical image in real-world scenarios, the similarity between pixels and the queries detects and localizes OOD regions. We term this OOD localization as MaxQuery. Furthermore, the foregrounds of real-world medical images, whether OOD objects or inliers, are lesions. The difference between them is less than that between the foreground and background, possibly misleading the object queries to focus redundantly on the background. Thus, we propose a query-distribution (QD) loss to enforce clear boundaries between segmentation targets and other regions at the query level, improving the inlier segmentation and OOD indication. Our proposed framework is tested on two real-world segmentation tasks, i.e., segmentation of pancreatic and liver tumors, outperforming previous state-of-the-art algorithms by an average of 7.39% on AUROC, 14.69% on AUPR, and 13.79% on FPR95 for OOD localization. On the other hand, our framework improves the performance of inlier segmentation by an average of 5.27% DSC when compared with the leading baseline nnUNet.

Computer vision technology is being used by many but remains representative of only a few. People have reported misbehavior of computer vision models, including offensive prediction results and lower performance for underrepresented groups. Current computer vision models are typically developed using datasets consisting of manually annotated images or videos; the data and label distributions in these datasets are critical to the models' behavior. In this paper, we examine ImageNet, a large-scale ontology of images that has spurred the development of many modern computer vision methods. We consider three key factors within the "person" subtree of ImageNet that may lead to problematic behavior in downstream computer vision technology: (1) the stagnant concept vocabulary of WordNet, (2) the attempt at exhaustive illustration of all categories with images, and (3) the inequality of representation in the images within concepts. We seek to illuminate the root causes of these concerns and take the first steps to mitigate them constructively.

We consider the problem of detecting out-of-distribution images in neural networks. We propose ODIN, a simple and effective method that does not require any change to a pre-trained neural network. Our method is based on the observation that using temperature scaling and adding small perturbations to the input can separate the softmax score distributions between in- and out-of-distribution images, allowing for more effective detection. We show in a series of experiments that ODIN is compatible with diverse network architectures and datasets. It consistently outperforms the baseline approach by a large margin, establishing a new state-of-the-art performance on this task. For example, ODIN reduces the false positive rate from the baseline 34.7% to 4.3% on the DenseNet (applied to CIFAR-10) when the true positive rate is 95%.

Pre-trained vision-language models (VLMs) have shown impressive performance on various downstream tasks by utilizing knowledge learned from large data. In general, the performance of VLMs on target tasks can be further improved by prompt tuning, which adds context to the input image or text. By leveraging data from target tasks, various prompt-tuning methods have been studied in the literature. A key to prompt tuning is the feature space alignment between two modalities via learnable vectors with model parameters fixed. We observed that the alignment becomes more effective when embeddings of each modality are `well-arranged' in the latent space. Inspired by this observation, we proposed distribution-aware prompt tuning (DAPT) for vision-language models, which is simple yet effective. Specifically, the prompts are learned by maximizing inter-dispersion, the distance between classes, as well as minimizing the intra-dispersion measured by the distance between embeddings from the same class. Our extensive experiments on 11 benchmark datasets demonstrate that our method significantly improves generalizability. The code is available at https://github.com/mlvlab/DAPT.

We present Neural Autoregressive Distribution Estimation (NADE) models, which are neural network architectures applied to the problem of unsupervised distribution and density estimation. They leverage the probability product rule and a weight sharing scheme inspired from restricted Boltzmann machines, to yield an estimator that is both tractable and has good generalization performance. We discuss how they achieve competitive performance in modeling both binary and real-valued observations. We also present how deep NADE models can be trained to be agnostic to the ordering of input dimensions used by the autoregressive product rule decomposition. Finally, we also show how to exploit the topological structure of pixels in images using a deep convolutional architecture for NADE.

Evaluating the performance of machine learning models under distribution shift is challenging, especially when we only have unlabeled data from the shifted (target) domain, along with labeled data from the original (source) domain. Recent work suggests that the notion of disagreement, the degree to which two models trained with different randomness differ on the same input, is a key to tackle this problem. Experimentally, disagreement and prediction error have been shown to be strongly connected, which has been used to estimate model performance. Experiments have led to the discovery of the disagreement-on-the-line phenomenon, whereby the classification error under the target domain is often a linear function of the classification error under the source domain; and whenever this property holds, disagreement under the source and target domain follow the same linear relation. In this work, we develop a theoretical foundation for analyzing disagreement in high-dimensional random features regression; and study under what conditions the disagreement-on-the-line phenomenon occurs in our setting. Experiments on CIFAR-10-C, Tiny ImageNet-C, and Camelyon17 are consistent with our theory and support the universality of the theoretical findings.

We build four new test sets for the Stanford Question Answering Dataset (SQuAD) and evaluate the ability of question-answering systems to generalize to new data. Our first test set is from the original Wikipedia domain and measures the extent to which existing systems overfit the original test set. Despite several years of heavy test set re-use, we find no evidence of adaptive overfitting. The remaining three test sets are constructed from New York Times articles, Reddit posts, and Amazon product reviews and measure robustness to natural distribution shifts. Across a broad range of models, we observe average performance drops of 3.8, 14.0, and 17.4 F1 points, respectively. In contrast, a strong human baseline matches or exceeds the performance of SQuAD models on the original domain and exhibits little to no drop in new domains. Taken together, our results confirm the surprising resilience of the holdout method and emphasize the need to move towards evaluation metrics that incorporate robustness to natural distribution shifts.

The core of out-of-distribution (OOD) detection is to learn the in-distribution (ID) representation, which is distinguishable from OOD samples. Previous work applied recognition-based methods to learn the ID features, which tend to learn shortcuts instead of comprehensive representations. In this work, we find surprisingly that simply using reconstruction-based methods could boost the performance of OOD detection significantly. We deeply explore the main contributors of OOD detection and find that reconstruction-based pretext tasks have the potential to provide a generally applicable and efficacious prior, which benefits the model in learning intrinsic data distributions of the ID dataset. Specifically, we take Masked Image Modeling as a pretext task for our OOD detection framework (MOOD). Without bells and whistles, MOOD outperforms previous SOTA of one-class OOD detection by 5.7%, multi-class OOD detection by 3.0%, and near-distribution OOD detection by 2.1%. It even defeats the 10-shot-per-class outlier exposure OOD detection, although we do not include any OOD samples for our detection

In crowd counting, each training image contains multiple people, where each person is annotated by a dot. Existing crowd counting methods need to use a Gaussian to smooth each annotated dot or to estimate the likelihood of every pixel given the annotated point. In this paper, we show that imposing Gaussians to annotations hurts generalization performance. Instead, we propose to use Distribution Matching for crowd COUNTing (DM-Count). In DM-Count, we use Optimal Transport (OT) to measure the similarity between the normalized predicted density map and the normalized ground truth density map. To stabilize OT computation, we include a Total Variation loss in our model. We show that the generalization error bound of DM-Count is tighter than that of the Gaussian smoothed methods. In terms of Mean Absolute Error, DM-Count outperforms the previous state-of-the-art methods by a large margin on two large-scale counting datasets, UCF-QNRF and NWPU, and achieves the state-of-the-art results on the ShanghaiTech and UCF-CC50 datasets. DM-Count reduced the error of the state-of-the-art published result by approximately 16%. Code is available at https://github.com/cvlab-stonybrook/DM-Count.

Detecting out-of-distribution (OOD) data is crucial in machine learning applications to mitigate the risk of model overconfidence, thereby enhancing the reliability and safety of deployed systems. The majority of existing OOD detection methods predominantly address uni-modal inputs, such as images or texts. In the context of multi-modal documents, there is a notable lack of extensive research on the performance of these methods, which have primarily been developed with a focus on computer vision tasks. We propose a novel methodology termed as attention head masking (AHM) for multi-modal OOD tasks in document classification systems. Our empirical results demonstrate that the proposed AHM method outperforms all state-of-the-art approaches and significantly decreases the false positive rate (FPR) compared to existing solutions up to 7.5\%. This methodology generalizes well to multi-modal data, such as documents, where visual and textual information are modeled under the same Transformer architecture. To address the scarcity of high-quality publicly available document datasets and encourage further research on OOD detection for documents, we introduce FinanceDocs, a new document AI dataset. Our code and dataset are publicly available.

Driven by advances in self-supervised learning for speech, state-of-the-art synthetic speech detectors have achieved low error rates on popular benchmarks such as ASVspoof. However, prior benchmarks do not address the wide range of real-world variability in speech. Are reported error rates realistic in real-world conditions? To assess detector failure modes and robustness under controlled distribution shifts, we introduce ShiftySpeech, a benchmark with more than 3000 hours of synthetic speech from 7 domains, 6 TTS systems, 12 vocoders, and 3 languages. We found that all distribution shifts degraded model performance, and contrary to prior findings, training on more vocoders, speakers, or with data augmentation did not guarantee better generalization. In fact, we found that training on less diverse data resulted in better generalization, and that a detector fit using samples from a single carefully selected vocoder and a single speaker achieved state-of-the-art results on the challenging In-the-Wild benchmark.

Anomaly detection (AD) is a crucial machine learning task that aims to learn patterns from a set of normal training samples to identify abnormal samples in test data. Most existing AD studies assume that the training and test data are drawn from the same data distribution, but the test data can have large distribution shifts arising in many real-world applications due to different natural variations such as new lighting conditions, object poses, or background appearances, rendering existing AD methods ineffective in such cases. In this paper, we consider the problem of anomaly detection under distribution shift and establish performance benchmarks on three widely-used AD and out-of-distribution (OOD) generalization datasets. We demonstrate that simple adaptation of state-of-the-art OOD generalization methods to AD settings fails to work effectively due to the lack of labeled anomaly data. We further introduce a novel robust AD approach to diverse distribution shifts by minimizing the distribution gap between in-distribution and OOD normal samples in both the training and inference stages in an unsupervised way. Our extensive empirical results on the three datasets show that our approach substantially outperforms state-of-the-art AD methods and OOD generalization methods on data with various distribution shifts, while maintaining the detection accuracy on in-distribution data.

Multi-source domain adaptation has been intensively studied. The distribution shift in features inherent to specific domains causes the negative transfer problem, degrading a model's generality to unseen tasks. In Federated Learning (FL), learned model parameters are shared to train a global model that leverages the underlying knowledge across client models trained on separate data domains. Nonetheless, the data confidentiality of FL hinders the effectiveness of traditional domain adaptation methods that require prior knowledge of different domain data. We propose a new federated domain generalization method called Federated Knowledge Alignment (FedKA). FedKA leverages feature distribution matching in a global workspace such that the global model can learn domain-invariant client features under the constraint of unknown client data. FedKA employs a federated voting mechanism that generates target domain pseudo-labels based on the consensus from clients to facilitate global model fine-tuning. We performed extensive experiments, including an ablation study, to evaluate the effectiveness of the proposed method in both image and text classification tasks using different model architectures. The empirical results show that FedKA achieves performance gains of 8.8% and 3.5% in Digit-Five and Office-Caltech10, respectively, and a gain of 0.7% in Amazon Review with extremely limited training data. Moreover, we studied the effectiveness of FedKA in alleviating the negative transfer of FL based on a new criterion called Group Effect. The results show that FedKA can reduce negative transfer, improving the performance gain via model aggregation by 4 times.

This paper investigates the problem of ensembling multiple strategies for sequential portfolios to outperform individual strategies in terms of long-term wealth. Due to the uncertainty of strategies' performances in the future market, which are often based on specific models and statistical assumptions, investors often mitigate risk and enhance robustness by combining multiple strategies, akin to common approaches in collective learning prediction. However, the absence of a distribution-free and consistent preference framework complicates decisions of combination due to the ambiguous objective. To address this gap, we introduce a novel framework for decision-making in combining strategies, irrespective of market conditions, by establishing the investor's preference between decisions and then forming a clear objective. Through this framework, we propose a combinatorial strategy construction, free from statistical assumptions, for any scale of component strategies, even infinite, such that it meets the determined criterion. Finally, we test the proposed strategy along with its accelerated variant and some other multi-strategies. The numerical experiments show results in favor of the proposed strategies, albeit with small tradeoffs in their Sharpe ratios, in which their cumulative wealths eventually exceed those of the best component strategies while the accelerated strategy significantly improves performance.

To align conditional text generation model outputs with desired behaviors, there has been an increasing focus on training the model using reinforcement learning (RL) with reward functions learned from human annotations. Under this framework, we identify three common cases where high rewards are incorrectly assigned to undesirable patterns: noise-induced spurious correlation, naturally occurring spurious correlation, and covariate shift. We show that even though learned metrics achieve high performance on the distribution of the data used to train the reward function, the undesirable patterns may be amplified during RL training of the text generation model. While there has been discussion about reward gaming in the RL or safety community, in this discussion piece, we would like to highlight reward gaming in the natural language generation (NLG) community using concrete conditional text generation examples and discuss potential fixes and areas for future work.

Vision transformers (ViTs) have garnered significant attention for their performance in vision tasks, but the high computational cost and significant latency issues have hindered widespread adoption. Post-training quantization (PTQ), a promising method for model compression, still faces accuracy degradation challenges with ViTs. There are two reasons for this: the existing quantization paradigm does not fit the power-law distribution of post-Softmax activations well, and accuracy inevitably decreases after reparameterizing post-LayerNorm activations. We propose a Distribution-Friendly and Outlier-Aware Post-training Quantization method for Vision Transformers, named DopQ-ViT. DopQ-ViT analyzes the inefficiencies of current quantizers and introduces a distribution-friendly Tan Quantizer called TanQ. TanQ focuses more on values near 1, more accurately preserving the power-law distribution of post-Softmax activations, and achieves favorable results. Besides, during the reparameterization of post-LayerNorm activations from channel-wise to layer-wise quantization, the accuracy degradation is mainly due to the significant impact of outliers in the scaling factors. Therefore, DopQ-ViT proposes a method to select Median as the Optimal Scaling Factor, denoted as MOSF, which compensates for the influence of outliers and preserves the performance of the quantization model. DopQ-ViT has been extensively validated and significantly improves the performance of quantization models, especially in low-bit settings.

In the field of object detection, domain generalisation (DG) aims to ensure robust performance across diverse and unseen target domains by learning the robust domain-invariant features corresponding to the objects of interest across multiple source domains. While there are many approaches established for performing DG for the task of classification, there has been a very little focus on object detection. In this paper, we propose a domain penalisation (DP) framework for the task of object detection, where the data is assumed to be sampled from multiple source domains and tested on completely unseen test domains. We assign penalisation weights to each domain, with the values updated based on the detection networks performance on the respective source domains. By prioritising the domains that needs more attention, our approach effectively balances the training process. We evaluate our solution on the GWHD 2021 dataset, a component of the WiLDS benchmark and we compare against ERM and GroupDRO as these are primarily loss function based. Our extensive experimental results reveals that the proposed approach improves the accuracy by 0.3 percent and 0.5 percent on validation and test out-of-distribution (OOD) sets, respectively for FasterRCNN. We also compare the performance of our approach on FCOS detector and show that our approach improves the baseline OOD performance over the existing approaches by 1.3 percent and 1.4 percent on validation and test sets, respectively. This study underscores the potential of performance based domain penalisation in enhancing the generalisation ability of object detection models across diverse environments.

Despite the remarkable strides of Large Language Models (LLMs) in various fields, the wide applications of LLMs on edge devices are limited due to their massive parameters and computations. To address this, quantization is commonly adopted to generate lightweight LLMs with efficient computations and fast inference. However, Post-Training Quantization (PTQ) methods dramatically degrade in quality when quantizing weights, activations, and KV cache together to below 8 bits. Besides, many Quantization-Aware Training (QAT) works quantize model weights, leaving the activations untouched, which do not fully exploit the potential of quantization for inference acceleration on the edge. In this paper, we propose EdgeQAT, the Entropy and Distribution Guided QAT for the optimization of lightweight LLMs to achieve inference acceleration on Edge devices. We first identify that the performance drop of quantization primarily stems from the information distortion in quantized attention maps, demonstrated by the different distributions in quantized query and key of the self-attention mechanism. Then, the entropy and distribution guided QAT is proposed to mitigate the information distortion. Moreover, we design a token importance-aware adaptive method to dynamically quantize the tokens with different bit widths for further optimization and acceleration. Our extensive experiments verify the substantial improvements with our framework across various datasets. Furthermore, we achieve an on-device speedup of up to 2.37x compared with its FP16 counterparts across multiple edge devices, signaling a groundbreaking advancement.

Out-of-distribution (OOD) detection is critical for safety-sensitive machine learning applications and has been extensively studied, yielding a plethora of methods developed in the literature. However, most studies for OOD detection did not use pre-trained models and trained a backbone from scratch. In recent years, transferring knowledge from large pre-trained models to downstream tasks by lightweight tuning has become mainstream for training in-distribution (ID) classifiers. To bridge the gap between the practice of OOD detection and current classifiers, the unique and crucial problem is that the samples whose information networks know often come as OOD input. We consider that such data may significantly affect the performance of large pre-trained networks because the discriminability of these OOD data depends on the pre-training algorithm. Here, we define such OOD data as PT-OOD (Pre-Trained OOD) data. In this paper, we aim to reveal the effect of PT-OOD on the OOD detection performance of pre-trained networks from the perspective of pre-training algorithms. To achieve this, we explore the PT-OOD detection performance of supervised and self-supervised pre-training algorithms with linear-probing tuning, the most common efficient tuning method. Through our experiments and analysis, we find that the low linear separability of PT-OOD in the feature space heavily degrades the PT-OOD detection performance, and self-supervised models are more vulnerable to PT-OOD than supervised pre-trained models, even with state-of-the-art detection methods. To solve this vulnerability, we further propose a unique solution to large-scale pre-trained models: Leveraging powerful instance-by-instance discriminative representations of pre-trained models and detecting OOD in the feature space independent of the ID decision boundaries. The code will be available via https://github.com/AtsuMiyai/PT-OOD.

Semi-Supervised Learning (SSL) under class distribution mismatch aims to tackle a challenging problem wherein unlabeled data contain lots of unknown categories unseen in the labeled ones. In such mismatch scenarios, traditional SSL suffers severe performance damage due to the harmful invasion of the instances with unknown categories into the target classifier. In this study, by strict mathematical reasoning, we reveal that the SSL error under class distribution mismatch is composed of pseudo-labeling error and invasion error, both of which jointly bound the SSL population risk. To alleviate the SSL error, we propose a robust SSL framework called Weight-Aware Distillation (WAD) that, by weights, selectively transfers knowledge beneficial to the target task from unsupervised contrastive representation to the target classifier. Specifically, WAD captures adaptive weights and high-quality pseudo labels to target instances by exploring point mutual information (PMI) in representation space to maximize the role of unlabeled data and filter unknown categories. Theoretically, we prove that WAD has a tight upper bound of population risk under class distribution mismatch. Experimentally, extensive results demonstrate that WAD outperforms five state-of-the-art SSL approaches and one standard baseline on two benchmark datasets, CIFAR10 and CIFAR100, and an artificial cross-dataset. The code is available at https://github.com/RUC-DWBI-ML/research/tree/main/WAD-master.

This paper studies the prediction of a target z from a pair of random variables (x,y), where the ground-truth predictor is additive E[z mid x,y] = f_star(x) +g_{star}(y). We study the performance of empirical risk minimization (ERM) over functions f+g, f in F and g in G, fit on a given training distribution, but evaluated on a test distribution which exhibits covariate shift. We show that, when the class F is "simpler" than G (measured, e.g., in terms of its metric entropy), our predictor is more resilient to heterogenous covariate shifts in which the shift in x is much greater than that in y. These results rely on a novel H\"older style inequality for the Dudley integral which may be of independent interest. Moreover, we corroborate our theoretical findings with experiments demonstrating improved resilience to shifts in "simpler" features across numerous domains.

A retrieval model should not only interpolate the training data but also extrapolate well to the queries that are different from the training data. While neural retrieval models have demonstrated impressive performance on ad-hoc search benchmarks, we still know little about how they perform in terms of interpolation and extrapolation. In this paper, we demonstrate the importance of separately evaluating the two capabilities of neural retrieval models. Firstly, we examine existing ad-hoc search benchmarks from the two perspectives. We investigate the distribution of training and test data and find a considerable overlap in query entities, query intent, and relevance labels. This finding implies that the evaluation on these test sets is biased toward interpolation and cannot accurately reflect the extrapolation capacity. Secondly, we propose a novel evaluation protocol to separately evaluate the interpolation and extrapolation performance on existing benchmark datasets. It resamples the training and test data based on query similarity and utilizes the resampled dataset for training and evaluation. Finally, we leverage the proposed evaluation protocol to comprehensively revisit a number of widely-adopted neural retrieval models. Results show models perform differently when moving from interpolation to extrapolation. For example, representation-based retrieval models perform almost as well as interaction-based retrieval models in terms of interpolation but not extrapolation. Therefore, it is necessary to separately evaluate both interpolation and extrapolation performance and the proposed resampling method serves as a simple yet effective evaluation tool for future IR studies.

Modern neural networks are known to give overconfident prediction for out-of-distribution inputs when deployed in the open world. It is common practice to leverage a surrogate outlier dataset to regularize the model during training, and recent studies emphasize the role of uncertainty in designing the sampling strategy for outlier dataset. However, the OOD samples selected solely based on predictive uncertainty can be biased towards certain types, which may fail to capture the full outlier distribution. In this work, we empirically show that diversity is critical in sampling outliers for OOD detection performance. Motivated by the observation, we propose a straightforward and novel sampling strategy named DOS (Diverse Outlier Sampling) to select diverse and informative outliers. Specifically, we cluster the normalized features at each iteration, and the most informative outlier from each cluster is selected for model training with absent category loss. With DOS, the sampled outliers efficiently shape a globally compact decision boundary between ID and OOD data. Extensive experiments demonstrate the superiority of DOS, reducing the average FPR95 by up to 25.79% on CIFAR-100 with TI-300K.

Sampling from diffusion models involves a slow iterative process that hinders their practical deployment, especially for interactive applications. To accelerate generation speed, recent approaches distill a multi-step diffusion model into a single-step student generator via variational score distillation, which matches the distribution of samples generated by the student to the teacher's distribution. However, these approaches use the reverse Kullback-Leibler (KL) divergence for distribution matching which is known to be mode seeking. In this paper, we generalize the distribution matching approach using a novel f-divergence minimization framework, termed f-distill, that covers different divergences with different trade-offs in terms of mode coverage and training variance. We derive the gradient of the f-divergence between the teacher and student distributions and show that it is expressed as the product of their score differences and a weighting function determined by their density ratio. This weighting function naturally emphasizes samples with higher density in the teacher distribution, when using a less mode-seeking divergence. We observe that the popular variational score distillation approach using the reverse-KL divergence is a special case within our framework. Empirically, we demonstrate that alternative f-divergences, such as forward-KL and Jensen-Shannon divergences, outperform the current best variational score distillation methods across image generation tasks. In particular, when using Jensen-Shannon divergence, f-distill achieves current state-of-the-art one-step generation performance on ImageNet64 and zero-shot text-to-image generation on MS-COCO. Project page: https://research.nvidia.com/labs/genair/f-distill

Leveraging the models' outputs, specifically the logits, is a common approach to estimating the test accuracy of a pre-trained neural network on out-of-distribution (OOD) samples without requiring access to the corresponding ground truth labels. Despite their ease of implementation and computational efficiency, current logit-based methods are vulnerable to overconfidence issues, leading to prediction bias, especially under the natural shift. In this work, we first study the relationship between logits and generalization performance from the view of low-density separation assumption. Our findings motivate our proposed method MaNo which (1) applies a data-dependent normalization on the logits to reduce prediction bias, and (2) takes the L_p norm of the matrix of normalized logits as the estimation score. Our theoretical analysis highlights the connection between the provided score and the model's uncertainty. We conduct an extensive empirical study on common unsupervised accuracy estimation benchmarks and demonstrate that MaNo achieves state-of-the-art performance across various architectures in the presence of synthetic, natural, or subpopulation shifts.

Large vision-language models have achieved outstanding performance, but their size and computational requirements make their deployment on resource-constrained devices and time-sensitive tasks impractical. Model distillation, the process of creating smaller, faster models that maintain the performance of larger models, is a promising direction towards the solution. This paper investigates the distillation of visual representations in large teacher vision-language models into lightweight student models using a small- or mid-scale dataset. Notably, this study focuses on open-vocabulary out-of-distribution (OOD) generalization, a challenging problem that has been overlooked in previous model distillation literature. We propose two principles from vision and language modality perspectives to enhance student's OOD generalization: (1) by better imitating teacher's visual representation space, and carefully promoting better coherence in vision-language alignment with the teacher; (2) by enriching the teacher's language representations with informative and finegrained semantic attributes to effectively distinguish between different labels. We propose several metrics and conduct extensive experiments to investigate their techniques. The results demonstrate significant improvements in zero-shot and few-shot student performance on open-vocabulary out-of-distribution classification, highlighting the effectiveness of our proposed approaches. Code released at https://github.com/xuanlinli17/large_vlm_distillation_ood

Learning visual representations with interpretable features, i.e., disentangled representations, remains a challenging problem. Existing methods demonstrate some success but are hard to apply to large-scale vision datasets like ImageNet. In this work, we propose a simple post-processing framework to disentangle content and style in learned representations from pre-trained vision models. We model the pre-trained features probabilistically as linearly entangled combinations of the latent content and style factors and develop a simple disentanglement algorithm based on the probabilistic model. We show that the method provably disentangles content and style features and verify its efficacy empirically. Our post-processed features yield significant domain generalization performance improvements when the distribution shift occurs due to style changes or style-related spurious correlations.

Safety and robustness are crucial factors in developing trustworthy autonomous vehicles. One essential aspect of addressing these factors is to equip vehicles with the capability to predict future trajectories for all moving objects in the surroundings and quantify prediction uncertainties. In this paper, we propose the Sequential Neural Variational Agent (SeNeVA), a generative model that describes the distribution of future trajectories for a single moving object. Our approach can distinguish Out-of-Distribution data while quantifying uncertainty and achieving competitive performance compared to state-of-the-art methods on the Argoverse 2 and INTERACTION datasets. Specifically, a 0.446 meters minimum Final Displacement Error, a 0.203 meters minimum Average Displacement Error, and a 5.35% Miss Rate are achieved on the INTERACTION test set. Extensive qualitative and quantitative analysis is also provided to evaluate the proposed model. Our open-source code is available at https://github.com/PurdueDigitalTwin/seneva.

Foundation models, specifically Large Language Models (LLMs), have lately gained wide-spread attention and adoption. Reinforcement Learning with Human Feedback (RLHF) involves training a reward model to capture desired behaviors, which is then used to align LLM's. These reward models are additionally used at inference-time to estimate LLM responses' adherence to those desired behaviors. However, there is little work measuring how robust these reward models are to distribution shifts. In this work, we evaluate how reward model performance - measured via accuracy and calibration (i.e. alignment between accuracy and confidence) - is affected by distribution shift. We show novel calibration patterns and accuracy drops due to OOD prompts and responses, and that the reward model is more sensitive to shifts in responses than prompts. Additionally, we adapt an OOD detection technique commonly used in classification to the reward model setting to detect these distribution shifts in prompts and responses.

As deep neural networks become adopted in high-stakes domains, it is crucial to be able to identify when inference inputs are Out-of-Distribution (OOD) so that users can be alerted of likely drops in performance and calibration despite high confidence. Among many others, existing methods use the following two scores to do so without training on any apriori OOD examples: a learned temperature and an energy score. In this paper we introduce Ablated Learned Temperature Energy (or "AbeT" for short), a method which combines these prior methods in novel ways with effective modifications. Due to these contributions, AbeT lowers the False Positive Rate at 95% True Positive Rate (FPR@95) by 35.39% in classification (averaged across all ID and OOD datasets measured) compared to state of the art without training networks in multiple stages or requiring hyperparameters or test-time backward passes. We additionally provide empirical insights as to how our model learns to distinguish between In-Distribution (ID) and OOD samples while only being explicitly trained on ID samples via exposure to misclassified ID examples at training time. Lastly, we show the efficacy of our method in identifying predicted bounding boxes and pixels corresponding to OOD objects in object detection and semantic segmentation, respectively - with an AUROC increase of 5.15% in object detection and both a decrease in FPR@95 of 41.48% and an increase in AUPRC of 34.20% on average in semantic segmentation compared to previous state of the art.

In this paper, we propose Test-Time Training, a general approach for improving the performance of predictive models when training and test data come from different distributions. We turn a single unlabeled test sample into a self-supervised learning problem, on which we update the model parameters before making a prediction. This also extends naturally to data in an online stream. Our simple approach leads to improvements on diverse image classification benchmarks aimed at evaluating robustness to distribution shifts.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

Post-training quantization (PTQ) has emerged as a widely adopted technique for compressing and accelerating Large Language Models (LLMs). The major challenge in LLM quantization is that uneven and heavy-tailed data distributions can expand the quantization range, thereby reducing bit precision for most values. Recent methods attempt to eliminate outliers and balance inter-channel differences by employing linear transformations; however, they remain heuristic and are often overlook optimizing the data distribution across the entire quantization space.In this paper, we introduce Quantization Space Utilization Rate (QSUR), a novel metric that effectively assesses the quantizability of transformed data by measuring the space utilization of the data in the quantization space. We complement QSUR with mathematical derivations that examine the effects and limitations of various transformations, guiding our development of Orthogonal and Scaling Transformation-based Quantization (OSTQuant). OSQuant employs a learnable equivalent transformation, consisting of an orthogonal transformation and a scaling transformation, to optimize the distributions of weights and activations across the entire quantization space. Futhermore, we propose the KL-Top loss function, designed to mitigate noise during optimization while retaining richer semantic information within the limited calibration data imposed by PTQ. OSTQuant outperforms existing work on various LLMs and benchmarks. In the W4-only setting, it retains 99.5\% of the floating-point accuracy. In the more challenging W4A4KV4 configuration, OSTQuant reduces the performance gap by 32\% on the LLaMA-3-8B model compared to state-of-the-art methods. https://github.com/BrotherHappy/OSTQuant{https://github.com/BrotherHappy/OSTQuant}.

We propose a new method for generating realistic datasets with distribution shifts using any decoder-based generative model. Our approach systematically creates datasets with varying intensities of distribution shifts, facilitating a comprehensive analysis of model performance degradation. We then use these generated datasets to evaluate the performance of various commonly used networks and observe a consistent decline in performance with increasing shift intensity, even when the effect is almost perceptually unnoticeable to the human eye. We see this degradation even when using data augmentations. We also find that enlarging the training dataset beyond a certain point has no effect on the robustness and that stronger inductive biases increase robustness.

Addressing fairness in artificial intelligence (AI), particularly in medical AI, is crucial for ensuring equitable healthcare outcomes. Recent efforts to enhance fairness have introduced new methodologies and datasets in medical AI. However, the fairness issue under the setting of domain transfer is almost unexplored, while it is common that clinics rely on different imaging technologies (e.g., different retinal imaging modalities) for patient diagnosis. This paper presents FairDomain, a pioneering systemic study into algorithmic fairness under domain shifts, employing state-of-the-art domain adaptation (DA) and generalization (DG) algorithms for both medical segmentation and classification tasks to understand how biases are transferred between different domains. We also introduce a novel plug-and-play fair identity attention (FIA) module that adapts to various DA and DG algorithms to improve fairness by using self-attention to adjust feature importance based on demographic attributes. Additionally, we curate the first fairness-focused dataset with two paired imaging modalities for the same patient cohort on medical segmentation and classification tasks, to rigorously assess fairness in domain-shift scenarios. Excluding the confounding impact of demographic distribution variation between source and target domains will allow clearer quantification of the performance of domain transfer models. Our extensive evaluations reveal that the proposed FIA significantly enhances both model performance accounted for fairness across all domain shift settings (i.e., DA and DG) with respect to different demographics, which outperforms existing methods on both segmentation and classification. The code and data can be accessed at https://ophai.hms.harvard.edu/datasets/harvard-fairdomain20k.

How would randomly shuffling feature vectors among nodes from the same class affect graph neural networks (GNNs)? The feature shuffle, intuitively, perturbs the dependence between graph topology and features (A-X dependence) for GNNs to learn from. Surprisingly, we observe a consistent and significant improvement in GNN performance following the feature shuffle. Having overlooked the impact of A-X dependence on GNNs, the prior literature does not provide a satisfactory understanding of the phenomenon. Thus, we raise two research questions. First, how should A-X dependence be measured, while controlling for potential confounds? Second, how does A-X dependence affect GNNs? In response, we (i) propose a principled measure for A-X dependence, (ii) design a random graph model that controls A-X dependence, (iii) establish a theory on how A-X dependence relates to graph convolution, and (iv) present empirical analysis on real-world graphs that align with the theory. We conclude that A-X dependence mediates the effect of graph convolution, such that smaller dependence improves GNN-based node classification.

Fine-tuning (via methods such as instruction-tuning or reinforcement learning from human feedback) is a crucial step in training language models to robustly carry out tasks of interest. However, we lack a systematic understanding of the effects of fine-tuning, particularly on tasks outside the narrow fine-tuning distribution. In a simplified scenario, we demonstrate that improving performance on tasks within the fine-tuning data distribution comes at the expense of suppressing model capabilities on other tasks. This degradation is especially pronounced for tasks "closest" to the fine-tuning distribution. We hypothesize that language models implicitly infer the task of the prompt corresponds, and the fine-tuning process predominantly skews this task inference towards tasks in the fine-tuning distribution. To test this hypothesis, we propose Conjugate Prompting to see if we can recover pretrained capabilities. Conjugate prompting artificially makes the task look farther from the fine-tuning distribution while requiring the same capability. We find that conjugate prompting systematically recovers some of the pretraining capabilities on our synthetic setup. We then apply conjugate prompting to real-world LLMs using the observation that fine-tuning distributions are typically heavily skewed towards English. We find that simply translating the prompts to different languages can cause the fine-tuned models to respond like their pretrained counterparts instead. This allows us to recover the in-context learning abilities lost via instruction tuning, and more concerningly, to recover harmful content generation suppressed by safety fine-tuning in chatbots like ChatGPT.

Diffusion models achieve state-of-the-art performance in various generation tasks. However, their theoretical foundations fall far behind. This paper studies score approximation, estimation, and distribution recovery of diffusion models, when data are supported on an unknown low-dimensional linear subspace. Our result provides sample complexity bounds for distribution estimation using diffusion models. We show that with a properly chosen neural network architecture, the score function can be both accurately approximated and efficiently estimated. Furthermore, the generated distribution based on the estimated score function captures the data geometric structures and converges to a close vicinity of the data distribution. The convergence rate depends on the subspace dimension, indicating that diffusion models can circumvent the curse of data ambient dimensionality.

Detecting out-of-distribution (OOD) inputs is a central challenge for safely deploying machine learning models in the real world. Existing solutions are mainly driven by small datasets, with low resolution and very few class labels (e.g., CIFAR). As a result, OOD detection for large-scale image classification tasks remains largely unexplored. In this paper, we bridge this critical gap by proposing a group-based OOD detection framework, along with a novel OOD scoring function termed MOS. Our key idea is to decompose the large semantic space into smaller groups with similar concepts, which allows simplifying the decision boundaries between in- vs. out-of-distribution data for effective OOD detection. Our method scales substantially better for high-dimensional class space than previous approaches. We evaluate models trained on ImageNet against four carefully curated OOD datasets, spanning diverse semantics. MOS establishes state-of-the-art performance, reducing the average FPR95 by 14.33% while achieving 6x speedup in inference compared to the previous best method.

Despite their groundbreaking performance for many generative modeling tasks, diffusion models have fallen short on discrete data domains such as natural language. Crucially, standard diffusion models rely on the well-established theory of score matching, but efforts to generalize this to discrete structures have not yielded the same empirical gains. In this work, we bridge this gap by proposing score entropy, a novel loss that naturally extends score matching to discrete spaces, integrates seamlessly to build discrete diffusion models, and significantly boosts performance. Experimentally, we test our Score Entropy Discrete Diffusion models (SEDD) on standard language modeling tasks. For comparable model sizes, SEDD beats existing language diffusion paradigms (reducing perplexity by 25-75\%) and is competitive with autoregressive models, in particular outperforming GPT-2. Furthermore, compared to autoregressive mdoels, SEDD generates faithful text without requiring distribution annealing techniques like temperature scaling (around 6-8times better generative perplexity than un-annealed GPT-2), can trade compute and quality (similar quality with 32times fewer network evaluations), and enables controllable infilling (matching nucleus sampling quality while enabling other strategies besides left to right prompting).

We propose semantic entropy probes (SEPs), a cheap and reliable method for uncertainty quantification in Large Language Models (LLMs). Hallucinations, which are plausible-sounding but factually incorrect and arbitrary model generations, present a major challenge to the practical adoption of LLMs. Recent work by Farquhar et al. (2024) proposes semantic entropy (SE), which can detect hallucinations by estimating uncertainty in the space semantic meaning for a set of model generations. However, the 5-to-10-fold increase in computation cost associated with SE computation hinders practical adoption. To address this, we propose SEPs, which directly approximate SE from the hidden states of a single generation. SEPs are simple to train and do not require sampling multiple model generations at test time, reducing the overhead of semantic uncertainty quantification to almost zero. We show that SEPs retain high performance for hallucination detection and generalize better to out-of-distribution data than previous probing methods that directly predict model accuracy. Our results across models and tasks suggest that model hidden states capture SE, and our ablation studies give further insights into the token positions and model layers for which this is the case.

Given a classifier, the inherent property of semantic Out-of-Distribution (OOD) samples is that their contents differ from all legal classes in terms of semantics, namely semantic mismatch. There is a recent work that directly applies it to OOD detection, which employs a conditional Generative Adversarial Network (cGAN) to enlarge semantic mismatch in the image space. While achieving remarkable OOD detection performance on small datasets, it is not applicable to ImageNet-scale datasets due to the difficulty in training cGANs with both input images and labels as conditions. As diffusion models are much easier to train and amenable to various conditions compared to cGANs, in this work, we propose to directly use pre-trained diffusion models for semantic mismatch-guided OOD detection, named DiffGuard. Specifically, given an OOD input image and the predicted label from the classifier, we try to enlarge the semantic difference between the reconstructed OOD image under these conditions and the original input image. We also present several test-time techniques to further strengthen such differences. Experimental results show that DiffGuard is effective on both Cifar-10 and hard cases of the large-scale ImageNet, and it can be easily combined with existing OOD detection techniques to achieve state-of-the-art OOD detection results.

As black-box models increasingly power high-stakes applications, a variety of data-driven explanation methods have been introduced. Meanwhile, machine learning models are constantly challenged by distributional shifts. A question naturally arises: Are data-driven explanations robust against out-of-distribution data? Our empirical results show that even though predict correctly, the model might still yield unreliable explanations under distributional shifts. How to develop robust explanations against out-of-distribution data? To address this problem, we propose an end-to-end model-agnostic learning framework Distributionally Robust Explanations (DRE). The key idea is, inspired by self-supervised learning, to fully utilizes the inter-distribution information to provide supervisory signals for the learning of explanations without human annotation. Can robust explanations benefit the model's generalization capability? We conduct extensive experiments on a wide range of tasks and data types, including classification and regression on image and scientific tabular data. Our results demonstrate that the proposed method significantly improves the model's performance in terms of explanation and prediction robustness against distributional shifts.

Failure of machine learning models to generalize to new data is a core problem limiting the reliability of AI systems, partly due to the lack of simple and robust methods for comparing new data to the original training dataset. We propose a standardized approach for assessing data similarity in a model-agnostic manner by constructing a supervised autoencoder for generalizability estimation (SAGE). We compare points in a low-dimensional embedded latent space, defining empirical probability measures for k-Nearest Neighbors (kNN) distance, reconstruction of inputs and task-based performance. As proof of concept for classification tasks, we use MNIST and CIFAR-10 to demonstrate how an ensemble output probability score can separate deformed images from a mixture of typical test examples, and how this SAGE score is robust to transformations of increasing severity. As further proof of concept, we extend this approach to a regression task using non-imaging data (UCI Abalone). In all cases, we show that out-of-the-box model performance increases after SAGE score filtering, even when applied to data from the model's own training and test datasets. Our out-of-distribution scoring method can be introduced during several steps of model construction and assessment, leading to future improvements in responsible deep learning implementation.

Federated Learning (FL) is a rising approach towards collaborative and privacy-preserving machine learning where large-scale medical datasets remain localized to each client. However, the issue of data heterogeneity among clients often compels local models to diverge, leading to suboptimal global models. To mitigate the impact of data heterogeneity on FL performance, we start with analyzing how FL training influence FL performance by decomposing the global loss into three terms: local loss, distribution shift loss and aggregation loss. Remarkably, our loss decomposition reveals that existing local training-based FL methods attempt to reduce the distribution shift loss, while the global aggregation-based FL methods propose better aggregation strategies to reduce the aggregation loss. Nevertheless, a comprehensive joint effort to minimize all three terms is currently limited in the literature, leading to subpar performance when dealing with data heterogeneity challenges. To fill this gap, we propose a novel FL method based on global loss decomposition, called FedLD, to jointly reduce these three loss terms. Our FedLD involves a margin control regularization in local training to reduce the distribution shift loss, and a principal gradient-based server aggregation strategy to reduce the aggregation loss. Notably, under different levels of data heterogeneity, our strategies achieve better and more robust performance on retinal and chest X-ray classification compared to other FL algorithms. Our code is available at https://github.com/Zeng-Shuang/FedLD.

Language model agents (LMA) recently emerged as a promising paradigm on muti-step decision making tasks, often outperforming humans and other reinforcement learning agents. Despite the promise, their performance on real-world applications that often involve combinations of tasks is still underexplored. In this work, we introduce a new benchmark, called CompWoB -- 50 new compositional web automation tasks reflecting more realistic assumptions. We show that while existing prompted LMAs (gpt-3.5-turbo or gpt-4) achieve 94.0% average success rate on base tasks, their performance degrades to 24.9% success rate on compositional tasks. On the other hand, transferred LMAs (finetuned only on base tasks) show less generalization gap, dropping from 85.4% to 54.8%. By balancing data distribution across tasks, we train a new model, HTML-T5++, that surpasses human-level performance (95.2%) on MiniWoB, and achieves the best zero-shot performance on CompWoB (61.5%). While these highlight the promise of small-scale finetuned and transferred models for compositional generalization, their performance further degrades under different instruction compositions changing combinational order. In contrast to the recent remarkable success of LMA, our benchmark and detailed analysis emphasize the necessity of building LMAs that are robust and generalizable to task compositionality for real-world deployment.

Image demosaicking and denoising are the two key fundamental steps in digital camera pipelines, aiming to reconstruct clean color images from noisy luminance readings. In this paper, we propose and study Wild-JDD, a novel learning framework for joint demosaicking and denoising in the wild. In contrast to previous works which generally assume the ground truth of training data is a perfect reflection of the reality, we consider here the more common imperfect case of ground truth uncertainty in the wild. We first illustrate its manifestation as various kinds of artifacts including zipper effect, color moire and residual noise. Then we formulate a two-stage data degradation process to capture such ground truth uncertainty, where a conjugate prior distribution is imposed upon a base distribution. After that, we derive an evidence lower bound (ELBO) loss to train a neural network that approximates the parameters of the conjugate prior distribution conditioned on the degraded input. Finally, to further enhance the performance for out-of-distribution input, we design a simple but effective fine-tuning strategy by taking the input as a weakly informative prior. Taking into account ground truth uncertainty, Wild-JDD enjoys good interpretability during optimization. Extensive experiments validate that it outperforms state-of-the-art schemes on joint demosaicking and denoising tasks on both synthetic and realistic raw datasets.

This study explores the application of anomaly detection (AD) methods in imbalanced learning tasks, focusing on fraud detection using real online credit card payment data. We assess the performance of several recent AD methods and compare their effectiveness against standard supervised learning methods. Offering evidence of distribution shift within our dataset, we analyze its impact on the tested models' performances. Our findings reveal that LightGBM exhibits significantly superior performance across all evaluated metrics but suffers more from distribution shifts than AD methods. Furthermore, our investigation reveals that LightGBM also captures the majority of frauds detected by AD methods. This observation challenges the potential benefits of ensemble methods to combine supervised, and AD approaches to enhance performance. In summary, this research provides practical insights into the utility of these techniques in real-world scenarios, showing LightGBM's superiority in fraud detection while highlighting challenges related to distribution shifts.

We present the Modality Integration Rate (MIR), an effective, robust, and generalized metric to indicate the multi-modal pre-training quality of Large Vision Language Models (LVLMs). Large-scale pre-training plays a critical role in building capable LVLMs, while evaluating its training quality without the costly supervised fine-tuning stage is under-explored. Loss, perplexity, and in-context evaluation results are commonly used pre-training metrics for Large Language Models (LLMs), while we observed that these metrics are less indicative when aligning a well-trained LLM with a new modality. Due to the lack of proper metrics, the research of LVLMs in the critical pre-training stage is hindered greatly, including the training data choice, efficient module design, etc. In this paper, we propose evaluating the pre-training quality from the inter-modal distribution distance perspective and present MIR, the Modality Integration Rate, which is 1) Effective to represent the pre-training quality and show a positive relation with the benchmark performance after supervised fine-tuning. 2) Robust toward different training/evaluation data. 3) Generalize across training configurations and architecture choices. We conduct a series of pre-training experiments to explore the effectiveness of MIR and observe satisfactory results that MIR is indicative about training data selection, training strategy schedule, and model architecture design to get better pre-training results. We hope MIR could be a helpful metric for building capable LVLMs and inspire the following research about modality alignment in different areas. Our code is at: https://github.com/shikiw/Modality-Integration-Rate.

LiDAR place recognition approaches based on deep learning suffer a significant degradation in performance when there is a shift between the distribution of the training and testing datasets, with re-training often required to achieve top performance. However, obtaining accurate ground truth on new environments can be prohibitively expensive, especially in complex or GPS-deprived environments. To address this issue we propose GeoAdapt, which introduces a novel auxiliary classification head to generate pseudo-labels for re-training on unseen environments in a self-supervised manner. GeoAdapt uses geometric consistency as a prior to improve the robustness of our generated pseudo-labels against domain shift, improving the performance and reliability of our Test-Time Adaptation approach. Comprehensive experiments show that GeoAdapt significantly boosts place recognition performance across moderate to severe domain shifts, and is competitive with fully supervised test-time adaptation approaches. Our code will be available at https://github.com/csiro-robotics/GeoAdapt.

Generative models, particularly diffusion models, have made significant success in data synthesis across various modalities, including images, videos, and 3D assets. However, current diffusion models are computationally intensive, often requiring numerous sampling steps that limit their practical application, especially in video generation. This work introduces a novel framework for diffusion distillation and distribution matching that dramatically reduces the number of inference steps while maintaining-and potentially improving-generation quality. Our approach focuses on distilling pre-trained diffusion models into a more efficient few-step generator, specifically targeting video generation. By leveraging a combination of video GAN loss and a novel 2D score distribution matching loss, we demonstrate the potential to generate high-quality video frames with substantially fewer sampling steps. To be specific, the proposed method incorporates a denoising GAN discriminator to distil from the real data and a pre-trained image diffusion model to enhance the frame quality and the prompt-following capabilities. Experimental results using AnimateDiff as the teacher model showcase the method's effectiveness, achieving superior performance in just four sampling steps compared to existing techniques.

Diffusion models have achieved great success in image generation tasks through iterative noise estimation. However, the heavy denoising process and complex neural networks hinder their low-latency applications in real-world scenarios. Quantization can effectively reduce model complexity, and post-training quantization (PTQ), which does not require fine-tuning, is highly promising in accelerating the denoising process. Unfortunately, we find that due to the highly dynamic distribution of activations in different denoising steps, existing PTQ methods for diffusion models suffer from distribution mismatch issues at both calibration sample level and reconstruction output level, which makes the performance far from satisfactory, especially in low-bit cases. In this paper, we propose Enhanced Distribution Alignment for Post-Training Quantization of Diffusion Models (EDA-DM) to address the above issues. Specifically, at the calibration sample level, we select calibration samples based on the density and diversity in the latent space, thus facilitating the alignment of their distribution with the overall samples; and at the reconstruction output level, we propose Fine-grained Block Reconstruction, which can align the outputs of the quantized model and the full-precision model at different network granularity. Extensive experiments demonstrate that EDA-DM outperforms the existing post-training quantization frameworks in both unconditional and conditional generation scenarios. At low-bit precision, the quantized models with our method even outperform the full-precision models on most datasets.

Practical object detection application can lose its effectiveness on image inputs with natural distribution shifts. This problem leads the research community to pay more attention on the robustness of detectors under Out-Of-Distribution (OOD) inputs. Existing works construct datasets to benchmark the detector's OOD robustness for a specific application scenario, e.g., Autonomous Driving. However, these datasets lack universality and are hard to benchmark general detectors built on common tasks such as COCO. To give a more comprehensive robustness assessment, we introduce COCO-O(ut-of-distribution), a test dataset based on COCO with 6 types of natural distribution shifts. COCO-O has a large distribution gap with training data and results in a significant 55.7% relative performance drop on a Faster R-CNN detector. We leverage COCO-O to conduct experiments on more than 100 modern object detectors to investigate if their improvements are credible or just over-fitting to the COCO test set. Unfortunately, most classic detectors in early years do not exhibit strong OOD generalization. We further study the robustness effect on recent breakthroughs of detector's architecture design, augmentation and pre-training techniques. Some empirical findings are revealed: 1) Compared with detection head or neck, backbone is the most important part for robustness; 2) An end-to-end detection transformer design brings no enhancement, and may even reduce robustness; 3) Large-scale foundation models have made a great leap on robust object detection. We hope our COCO-O could provide a rich testbed for robustness study of object detection. The dataset will be available at https://github.com/alibaba/easyrobust/tree/main/benchmarks/coco_o.

In this paper, we study the localization problem in dense urban settings. In such environments, Global Navigation Satellite Systems fail to provide good accuracy due to low likelihood of line-of-sight (LOS) links between the receiver (Rx) to be located and the satellites, due to the presence of obstacles like the buildings. Thus, one has to resort to other technologies, which can reliably operate under non-line-of-sight (NLOS) conditions. Recently, we proposed a Received Signal Strength (RSS) fingerprint and convolutional neural network-based algorithm, LocUNet, and demonstrated its state-of-the-art localization performance with respect to the widely adopted k-nearest neighbors (kNN) algorithm, and to state-of-the-art time of arrival (ToA) ranging-based methods. In the current work, we first recognize LocUNet's ability to learn the underlying prior distribution of the Rx position or Rx and transmitter (Tx) association preferences from the training data, and attribute its high performance to these. Conversely, we demonstrate that classical methods based on probabilistic approach, can greatly benefit from an appropriate incorporation of such prior information. Our studies also numerically prove LocUNet's close to optimal performance in many settings, by comparing it with the theoretically optimal formulations.

Learning representations that capture the underlying data generating process is a key problem for data efficient and robust use of neural networks. One key property for robustness which the learned representation should capture and which recently received a lot of attention is described by the notion of invariance. In this work we provide a causal perspective and new algorithm for learning invariant representations. Empirically we show that this algorithm works well on a diverse set of tasks and in particular we observe state-of-the-art performance on domain generalization, where we are able to significantly boost the score of existing models.

Autonomous agents trained using deep reinforcement learning (RL) often lack the ability to successfully generalise to new environments, even when these environments share characteristics with the ones they have encountered during training. In this work, we investigate how the sampling of individual environment instances, or levels, affects the zero-shot generalisation (ZSG) ability of RL agents. We discover that, for deep actor-critic architectures sharing their base layers, prioritising levels according to their value loss minimises the mutual information between the agent's internal representation and the set of training levels in the generated training data. This provides a novel theoretical justification for the regularisation achieved by certain adaptive sampling strategies. We then turn our attention to unsupervised environment design (UED) methods, which assume control over level generation. We find that existing UED methods can significantly shift the training distribution, which translates to low ZSG performance. To prevent both overfitting and distributional shift, we introduce data-regularised environment design (DRED). DRED generates levels using a generative model trained to approximate the ground truth distribution of an initial set of level parameters. Through its grounding, DRED achieves significant improvements in ZSG over adaptive level sampling strategies and UED methods. Our code and experimental data are available at https://github.com/uoe-agents/dred.

Several works have proposed Simplicity Bias (SB)---the tendency of standard training procedures such as Stochastic Gradient Descent (SGD) to find simple models---to justify why neural networks generalize well [Arpit et al. 2017, Nakkiran et al. 2019, Soudry et al. 2018]. However, the precise notion of simplicity remains vague. Furthermore, previous settings that use SB to theoretically justify why neural networks generalize well do not simultaneously capture the non-robustness of neural networks---a widely observed phenomenon in practice [Goodfellow et al. 2014, Jo and Bengio 2017]. We attempt to reconcile SB and the superior standard generalization of neural networks with the non-robustness observed in practice by designing datasets that (a) incorporate a precise notion of simplicity, (b) comprise multiple predictive features with varying levels of simplicity, and (c) capture the non-robustness of neural networks trained on real data. Through theory and empirics on these datasets, we make four observations: (i) SB of SGD and variants can be extreme: neural networks can exclusively rely on the simplest feature and remain invariant to all predictive complex features. (ii) The extreme aspect of SB could explain why seemingly benign distribution shifts and small adversarial perturbations significantly degrade model performance. (iii) Contrary to conventional wisdom, SB can also hurt generalization on the same data distribution, as SB persists even when the simplest feature has less predictive power than the more complex features. (iv) Common approaches to improve generalization and robustness---ensembles and adversarial training---can fail in mitigating SB and its pitfalls. Given the role of SB in training neural networks, we hope that the proposed datasets and methods serve as an effective testbed to evaluate novel algorithmic approaches aimed at avoiding the pitfalls of SB.

We introduce Rank1, the first reranking model trained to take advantage of test-time compute. Rank1 demonstrates the applicability within retrieval of using a reasoning language model (i.e. OpenAI's o1, Deepseek's R1, etc.) for distillation in order to rapidly improve the performance of a smaller model. We gather and open-source a dataset of more than 600,000 examples of R1 reasoning traces from queries and passages in MS MARCO. Models trained on this dataset show: (1) state-of-the-art performance on advanced reasoning and instruction following datasets; (2) work remarkably well out of distribution due to the ability to respond to user-input prompts; and (3) have explainable reasoning chains that can be given to users or RAG-based systems. Further, we demonstrate that quantized versions of these models retain strong performance while using less compute/memory. Overall, Rank1 shows that test-time compute allows for a fundamentally new type of explainable and performant reranker model for search.

Vision language models (VLMs) have demonstrated impressive performance across a wide range of downstream tasks. However, their proficiency in spatial reasoning remains limited, despite its crucial role in tasks involving navigation and interaction with physical environments. Specifically, most of these tasks rely on the core spatial reasoning capabilities in two-dimensional (2D) environments, and our evaluation reveals that state-of-the-art VLMs frequently generate implausible and incorrect responses to composite spatial reasoning problems, including simple pathfinding tasks that humans can solve effortlessly at a glance. To address this, we explore an effective approach to enhance 2D spatial reasoning within VLMs by training the model solely on basic spatial capabilities. We begin by disentangling the key components of 2D spatial reasoning: direction comprehension, distance estimation, and localization. Our central hypothesis is that mastering these basic spatial capabilities can significantly enhance a model's performance on composite spatial tasks requiring advanced spatial understanding and combinatorial problem-solving, with generalized improvements in visual-spatial tasks. To investigate this hypothesis, we introduce Sparkle, a framework that fine-tunes VLMs on these three basic spatial capabilities by synthetic data generation and targeted supervision to form an instruction dataset for each capability. Our experiments demonstrate that VLMs fine-tuned with Sparkle achieve significant performance gains, not only in the basic tasks themselves but also in generalizing to composite and out-of-distribution spatial reasoning tasks. These findings underscore the effectiveness of mastering basic spatial capabilities in enhancing composite spatial problem-solving, offering insights into systematic strategies for improving VLMs' spatial reasoning capabilities.

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies aim to improve the overall LP performance of GNNs, none have explored its varying performance across different nodes and its underlying reasons. To this end, we aim to demystify which nodes will perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit poorer LP performance, our empirical findings provide nuances to this viewpoint and prompt us to propose a better metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC has a higher correlation with LP performance than other node-level topological metrics like degree and subgraph density, offering a better way to identify low-performing nodes than using cold-start. With TC, we discover a novel topological distribution shift issue in which newly joined neighbors of a node tend to become less interactive with that node's existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and theoretically/empirically justify its efficacy in approximating TC and reducing the computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

Out-of-distribution (OOD) detection plays a crucial role in ensuring the safe deployment of deep neural network (DNN) classifiers. While a myriad of methods have focused on improving the performance of OOD detectors, a critical gap remains in interpreting their decisions. We help bridge this gap by providing explanations for OOD detectors based on learned high-level concepts. We first propose two new metrics for assessing the effectiveness of a particular set of concepts for explaining OOD detectors: 1) detection completeness, which quantifies the sufficiency of concepts for explaining an OOD-detector's decisions, and 2) concept separability, which captures the distributional separation between in-distribution and OOD data in the concept space. Based on these metrics, we propose an unsupervised framework for learning a set of concepts that satisfy the desired properties of high detection completeness and concept separability, and demonstrate its effectiveness in providing concept-based explanations for diverse off-the-shelf OOD detectors. We also show how to identify prominent concepts contributing to the detection results, and provide further reasoning about their decisions.

With the rapid advancement of multimodal large language models (MLLMs), concerns regarding their security have increasingly captured the attention of both academia and industry. Although MLLMs are vulnerable to jailbreak attacks, designing effective multimodal jailbreak attacks poses unique challenges, especially given the distinct protective measures implemented across various modalities in commercial models. Previous works concentrate risks into a single modality, resulting in limited jailbreak performance. In this paper, we propose a heuristic-induced multimodal risk distribution jailbreak attack method, called HIMRD, which consists of two elements: multimodal risk distribution strategy and heuristic-induced search strategy. The multimodal risk distribution strategy is used to segment harmful instructions across multiple modalities to effectively circumvent MLLMs' security protection. The heuristic-induced search strategy identifies two types of prompts: the understanding-enhancing prompt, which helps the MLLM reconstruct the malicious prompt, and the inducing prompt, which increases the likelihood of affirmative outputs over refusals, enabling a successful jailbreak attack. Extensive experiments demonstrate that this approach effectively uncovers vulnerabilities in MLLMs, achieving an average attack success rate of 90% across seven popular open-source MLLMs and an average attack success rate of around 68% in three popular closed-source MLLMs. Our code will coming soon. Warning: This paper contains offensive and harmful examples, reader discretion is advised.

This work focuses on the potential of Vision LLMs (VLLMs) in visual reasoning. Different from prior studies, we shift our focus from evaluating standard performance to introducing a comprehensive safety evaluation suite, covering both out-of-distribution (OOD) generalization and adversarial robustness. For the OOD evaluation, we present two novel VQA datasets, each with one variant, designed to test model performance under challenging conditions. In exploring adversarial robustness, we propose a straightforward attack strategy for misleading VLLMs to produce visual-unrelated responses. Moreover, we assess the efficacy of two jailbreaking strategies, targeting either the vision or language component of VLLMs. Our evaluation of 21 diverse models, ranging from open-source VLLMs to GPT-4V, yields interesting observations: 1) Current VLLMs struggle with OOD texts but not images, unless the visual information is limited; and 2) These VLLMs can be easily misled by deceiving vision encoders only, and their vision-language training often compromise safety protocols. We release this safety evaluation suite at https://github.com/UCSC-VLAA/vllm-safety-benchmark.

Existing methods for uncertainty quantification incur massive memory and compute overhead, often requiring multiple models/inferences. Hence they are impractical on ultra-low-power KB-sized TinyML devices. To reduce overhead, prior works have proposed the use of early-exit networks as ensembles to quantify uncertainty in a single forward-pass. However, they still have a prohibitive cost for tinyML. To address these challenges, we propose QUTE, a novel resource-efficient early-exit-assisted ensemble architecture optimized for tinyML models. QUTE adds additional output blocks at the final exit of the base network and distills the knowledge of early-exits into these blocks to create a diverse and lightweight ensemble architecture. Our results show that QUTE outperforms popular prior works, and improves the quality of uncertainty estimates by 6% with 3.1x lower model size on average compared to the most relevant prior work. Furthermore, we demonstrate that QUTE is also effective in detecting co-variate shifted and out-of-distribution inputs, and shows competitive performance relative to G-ODIN, a state-of-the-art generalized OOD detector.

In order to appropriately filter multi-modality data sets on a web-scale, it becomes crucial to employ suitable filtering methods to boost performance and reduce training costs. For instance, LAION papers employs the CLIP score filter to select data with CLIP scores surpassing a certain threshold. On the other hand, T-MARS achieves high-quality data filtering by detecting and masking text within images and then filtering by CLIP score. Through analyzing the dataset, we observe a significant proportion of redundant information, such as numbers, present in the textual content. Our experiments on a subset of the data unveil the profound impact of these redundant elements on the CLIP scores. A logical approach would involve reevaluating the CLIP scores after eliminating these influences. Experimentally, our text-based CLIP filter outperforms the top-ranked method on the ``small scale" of DataComp (a data filtering benchmark) on ImageNet distribution shifts, achieving a 3.6% performance improvement. The results also demonstrate that our proposed text-masked filter outperforms the original CLIP score filter when selecting the top 40% of the data. The impact of numbers on CLIP and their handling provide valuable insights for improving the effectiveness of CLIP training, including language rewrite techniques.

Current benchmarks for evaluating neural code models focus on only a small subset of programming languages, excluding many popular languages such as Go or Rust. To ameliorate this issue, we present the BabelCode framework for execution-based evaluation of any benchmark in any language. BabelCode enables new investigations into the qualitative performance of models' memory, runtime, and individual test case results. Additionally, we present a new code translation dataset called Translating Python Programming Puzzles (TP3) from the Python Programming Puzzles (Schuster et al. 2021) benchmark that involves translating expert-level python functions to any language. With both BabelCode and the TP3 benchmark, we investigate if balancing the distributions of 14 languages in a training dataset improves a large language model's performance on low-resource languages. Training a model on a balanced corpus results in, on average, 12.34% higher pass@k across all tasks and languages compared to the baseline. We find that this strategy achieves 66.48% better pass@k on low-resource languages at the cost of only a 12.94% decrease to high-resource languages. In our three translation tasks, this strategy yields, on average, 30.77% better low-resource pass@k while having 19.58% worse high-resource pass@k.

Robustness in Natural Language Processing continues to be a pertinent issue, where state of the art models under-perform under naturally shifted distributions. In the context of Question Answering, work on domain adaptation methods continues to be a growing body of research. However, very little attention has been given to the notion of domain generalization under natural distribution shifts, where the target domain is unknown. With drastic improvements in the quality and access to generative models, we answer the question: How do generated datasets influence the performance of QA models under natural distribution shifts? We perform experiments on 4 different datasets under varying amounts of distribution shift, and analyze how "in-the-wild" generation can help achieve domain generalization. We take a two-step generation approach, generating both contexts and QA pairs to augment existing datasets. Through our experiments, we demonstrate how augmenting reading comprehension datasets with generated data leads to better robustness towards natural distribution shifts.

Like generic multi-task learning, continual learning has the nature of multi-objective optimization, and therefore faces a trade-off between the performance of different tasks. That is, to optimize for the current task distribution, it may need to compromise performance on some previous tasks. This means that there exist multiple models that are Pareto-optimal at different times, each addressing a distinct task performance trade-off. Researchers have discussed how to train particular models to address specific trade-off preferences. However, existing algorithms require training overheads proportional to the number of preferences -- a large burden when there are multiple, possibly infinitely many, preferences. As a response, we propose Imprecise Bayesian Continual Learning (IBCL). Upon a new task, IBCL (1) updates a knowledge base in the form of a convex hull of model parameter distributions and (2) obtains particular models to address task trade-off preferences with zero-shot. That is, IBCL does not require any additional training overhead to generate preference-addressing models from its knowledge base. We show that models obtained by IBCL have guarantees in identifying the Pareto optimal parameters. Moreover, experiments on standard image classification and NLP tasks support this guarantee. Statistically, IBCL improves average per-task accuracy by at most 23% and peak per-task accuracy by at most 15% with respect to the baseline methods, with steadily near-zero or positive backward transfer. Most importantly, IBCL significantly reduces the training overhead from training 1 model per preference to at most 3 models for all preferences.

Large language models (LMs) are able to in-context learn -- perform a new task via inference alone by conditioning on a few input-label pairs (demonstrations) and making predictions for new inputs. However, there has been little understanding of how the model learns and which aspects of the demonstrations contribute to end task performance. In this paper, we show that ground truth demonstrations are in fact not required -- randomly replacing labels in the demonstrations barely hurts performance on a range of classification and multi-choce tasks, consistently over 12 different models including GPT-3. Instead, we find that other aspects of the demonstrations are the key drivers of end task performance, including the fact that they provide a few examples of (1) the label space, (2) the distribution of the input text, and (3) the overall format of the sequence. Together, our analysis provides a new way of understanding how and why in-context learning works, while opening up new questions about how much can be learned from large language models through inference alone.

With the rapid advancement of Multi-modal Large Language Models (MLLMs), MLLM-based Image Quality Assessment (IQA) methods have shown promising performance in linguistic quality description. However, current methods still fall short in accurately scoring image quality. In this work, we aim to leverage MLLMs to regress accurate quality scores. A key challenge is that the quality score is inherently continuous, typically modeled as a Gaussian distribution, whereas MLLMs generate discrete token outputs. This mismatch necessitates score discretization. Previous approaches discretize the mean score into a one-hot label, resulting in information loss and failing to capture inter-image relationships. We propose a distribution-based approach that discretizes the score distribution into a soft label. This method preserves the characteristics of the score distribution, achieving high accuracy and maintaining inter-image relationships. Moreover, to address dataset variation, where different IQA datasets exhibit various distributions, we introduce a fidelity loss based on Thurstone's model. This loss captures intra-dataset relationships, facilitating co-training across multiple IQA datasets. With these designs, we develop the distribution-based Depicted image Quality Assessment model for Score regression (DeQA-Score). Experiments across multiple benchmarks show that DeQA-Score stably outperforms baselines in score regression. Also, DeQA-Score can predict the score distribution that closely aligns with human annotations. Codes and model weights have been released in https://depictqa.github.io/deqa-score/.

Reward models (RMs) guide the alignment of large language models (LLMs), steering them toward behaviors preferred by humans. Evaluating RMs is the key to better aligning LLMs. However, the current evaluation of RMs may not directly correspond to their alignment performance due to the limited distribution of evaluation data and evaluation methods that are not closely related to alignment objectives. To address these limitations, we propose RMB, a comprehensive RM benchmark that covers over 49 real-world scenarios and includes both pairwise and Best-of-N (BoN) evaluations to better reflect the effectiveness of RMs in guiding alignment optimization. We demonstrate a positive correlation between our benchmark and the downstream alignment task performance. Based on our benchmark, we conduct extensive analysis on the state-of-the-art RMs, revealing their generalization defects that were not discovered by previous benchmarks, and highlighting the potential of generative RMs. Furthermore, we delve into open questions in reward models, specifically examining the effectiveness of majority voting for the evaluation of reward models and analyzing the impact factors of generative RMs, including the influence of evaluation criteria and instructing methods. Our evaluation code and datasets are available at https://github.com/Zhou-Zoey/RMB-Reward-Model-Benchmark.

Automatic medical report generation (MRG), which possesses significant research value as it can aid radiologists in clinical diagnosis and report composition, has garnered increasing attention. Despite recent progress, generating accurate reports remains arduous due to the requirement for precise clinical comprehension and disease diagnosis inference. Furthermore, owing to the limited accessibility of medical data and the imbalanced distribution of diseases, the underrepresentation of rare diseases in training data makes large-scale medical visual language models (LVLMs) prone to hallucinations, such as omissions or fabrications, severely undermining diagnostic performance and further intensifying the challenges for MRG in practice. In this study, to effectively mitigate hallucinations in medical report generation, we propose a chain-of-medical-thought approach (CoMT), which intends to imitate the cognitive process of human doctors by decomposing diagnostic procedures. The radiological features with different importance are structured into fine-grained medical thought chains to enhance the inferential ability during diagnosis, thereby alleviating hallucination problems and enhancing the diagnostic accuracy of MRG. The code and dataset have been released at https://github.com/FRENKIE-CHIANG/CoMT.

When facing changing environments in the real world, the lightweight model on client devices suffers from severe performance drops under distribution shifts. The main limitations of the existing device model lie in (1) unable to update due to the computation limit of the device, (2) the limited generalization ability of the lightweight model. Meanwhile, recent large models have shown strong generalization capability on the cloud while they can not be deployed on client devices due to poor computation constraints. To enable the device model to deal with changing environments, we propose a new learning paradigm of Cloud-Device Collaborative Continual Adaptation, which encourages collaboration between cloud and device and improves the generalization of the device model. Based on this paradigm, we further propose an Uncertainty-based Visual Prompt Adapted (U-VPA) teacher-student model to transfer the generalization capability of the large model on the cloud to the device model. Specifically, we first design the Uncertainty Guided Sampling (UGS) to screen out challenging data continuously and transmit the most out-of-distribution samples from the device to the cloud. Then we propose a Visual Prompt Learning Strategy with Uncertainty guided updating (VPLU) to specifically deal with the selected samples with more distribution shifts. We transmit the visual prompts to the device and concatenate them with the incoming data to pull the device testing distribution closer to the cloud training distribution. We conduct extensive experiments on two object detection datasets with continually changing environments. Our proposed U-VPA teacher-student framework outperforms previous state-of-the-art test time adaptation and device-cloud collaboration methods. The code and datasets will be released.

Although vision models such as Contrastive Language-Image Pre-Training (CLIP) show impressive generalization performance, their zero-shot robustness is still limited under Out-of-Distribution (OOD) scenarios without fine-tuning. Instead of undesirably providing human supervision as commonly done, it is possible to take advantage of Multi-modal Large Language Models (MLLMs) that hold powerful visual understanding abilities. However, MLLMs are shown to struggle with vision problems due to the incompatibility of tasks, thus hindering their utilization. In this paper, we propose to effectively leverage MLLMs to conduct Machine Vision Therapy which aims to rectify the noisy predictions from vision models. By fine-tuning with the denoised labels, the learning model performance can be boosted in an unsupervised manner. To solve the incompatibility issue, we propose a novel Denoising In-Context Learning (DICL) strategy to align vision tasks with MLLMs. Concretely, by estimating a transition matrix that captures the probability of one class being confused with another, an instruction containing a correct exemplar and an erroneous one from the most probable noisy class can be constructed. Such an instruction can help any MLLMs with ICL ability to detect and rectify incorrect predictions of vision models. Through extensive experiments on ImageNet, WILDS, DomainBed, and other OOD datasets, we carefully validate the quantitative and qualitative effectiveness of our method. Our code is available at https://github.com/tmllab/Machine_Vision_Therapy.

Pre-training on large-scale datasets and then fine-tuning on downstream tasks have become a standard practice in deep learning. However, pre-training data often contain label noise that may adversely affect the generalization of the model. This paper aims to understand the nature of noise in pre-training datasets and to mitigate its impact on downstream tasks. More specifically, through extensive experiments of supervised pre-training models on synthetic noisy ImageNet-1K and YFCC15M datasets, we demonstrate that while slight noise in pre-training can benefit in-domain (ID) transfer performance, where the training and testing data share the same distribution, it always deteriorates out-of-domain (OOD) performance, where training and testing data distribution are different. We empirically verify that the reason behind is noise in pre-training shapes the feature space differently. We then propose a light-weight black-box tuning method (NMTune) to affine the feature space to mitigate the malignant effect of noise and improve generalization on both ID and OOD tasks, considering one may not be able to fully fine-tune or even access the pre-trained models. We conduct practical experiments on popular vision and language models that are pre-trained on noisy data for evaluation of our approach. Our analysis and results show the importance of this interesting and novel research direction, which we term Noisy Model Learning.

Evaluating the performance of a well-trained GNN model on real-world graphs is a pivotal step for reliable GNN online deployment and serving. Due to a lack of test node labels and unknown potential training-test graph data distribution shifts, conventional model evaluation encounters limitations in calculating performance metrics (e.g., test error) and measuring graph data-level discrepancies, particularly when the training graph used for developing GNNs remains unobserved during test time. In this paper, we study a new research problem, online GNN evaluation, which aims to provide valuable insights into the well-trained GNNs's ability to effectively generalize to real-world unlabeled graphs under the test-time graph distribution shifts. Concretely, we develop an effective learning behavior discrepancy score, dubbed LeBeD, to estimate the test-time generalization errors of well-trained GNN models. Through a novel GNN re-training strategy with a parameter-free optimality criterion, the proposed LeBeD comprehensively integrates learning behavior discrepancies from both node prediction and structure reconstruction perspectives. This enables the effective evaluation of the well-trained GNNs' ability to capture test node semantics and structural representations, making it an expressive metric for estimating the generalization error in online GNN evaluation. Extensive experiments on real-world test graphs under diverse graph distribution shifts could verify the effectiveness of the proposed method, revealing its strong correlation with ground-truth test errors on various well-trained GNN models.

Recent advances in natural language processing, primarily propelled by Large Language Models (LLMs), have showcased their remarkable capabilities grounded in in-context learning. A promising avenue for guiding LLMs in intricate reasoning tasks involves the utilization of intermediate reasoning steps within the Chain-of-Thought (CoT) paradigm. Nevertheless, the central challenge lies in the effective selection of exemplars for facilitating in-context learning. In this study, we introduce a framework that leverages Dual Queries and Low-rank approximation Re-ranking (DQ-LoRe) to automatically select exemplars for in-context learning. Dual Queries first query LLM to obtain LLM-generated knowledge such as CoT, then query the retriever to obtain the final exemplars via both question and the knowledge. Moreover, for the second query, LoRe employs dimensionality reduction techniques to refine exemplar selection, ensuring close alignment with the input question's knowledge. Through extensive experiments, we demonstrate that DQ-LoRe significantly outperforms prior state-of-the-art methods in the automatic selection of exemplars for GPT-4, enhancing performance from 92.5% to 94.2%. Our comprehensive analysis further reveals that DQ-LoRe consistently outperforms retrieval-based approaches in terms of both performance and adaptability, especially in scenarios characterized by distribution shifts. DQ-LoRe pushes the boundary of in-context learning and opens up new avenues for addressing complex reasoning challenges. Our code is released at https://github.com/AI4fun/DQ-LoRe}{https://github.com/AI4fun/DQ-LoRe.

Dataset distillation or condensation aims to generate a smaller but representative subset from a large dataset, which allows a model to be trained more efficiently, meanwhile evaluating on the original testing data distribution to achieve decent performance. Previous decoupled methods like SRe^2L simply use a unified gradient update scheme for synthesizing data from Gaussian noise, while, we notice that the initial several update iterations will determine the final outline of synthesis, thus an improper gradient update strategy may dramatically affect the final generation quality. To address this, we introduce a simple yet effective global-to-local gradient refinement approach enabled by curriculum data augmentation (CDA) during data synthesis. The proposed framework achieves the current published highest accuracy on both large-scale ImageNet-1K and 21K with 63.2% under IPC (Images Per Class) 50 and 36.1% under IPC 20, using a regular input resolution of 224times224 with faster convergence speed and less synthetic time. The proposed model outperforms the current state-of-the-art methods like SRe^2L, TESLA, and MTT by more than 4% Top-1 accuracy on ImageNet-1K/21K and for the first time, reduces the gap to its full-data training counterparts to less than absolute 15%. Moreover, this work represents the inaugural success in dataset distillation on the larger-scale ImageNet-21K dataset under the standard 224times224 resolution. Our code and distilled ImageNet-21K dataset of 20 IPC, 2K recovery budget are available at https://github.com/VILA-Lab/SRe2L/tree/main/CDA.

Score-based generative models (SGMs) have recently shown impressive results for difficult generative tasks such as the unconditional and conditional generation of natural images and audio signals. In this work, we extend these models to the complex short-time Fourier transform (STFT) domain, proposing a novel training task for speech enhancement using a complex-valued deep neural network. We derive this training task within the formalism of stochastic differential equations (SDEs), thereby enabling the use of predictor-corrector samplers. We provide alternative formulations inspired by previous publications on using generative diffusion models for speech enhancement, avoiding the need for any prior assumptions on the noise distribution and making the training task purely generative which, as we show, results in improved enhancement performance.

Detecting test samples drawn sufficiently far away from the training distribution statistically or adversarially is a fundamental requirement for deploying a good classifier in many real-world machine learning applications. However, deep neural networks with the softmax classifier are known to produce highly overconfident posterior distributions even for such abnormal samples. In this paper, we propose a simple yet effective method for detecting any abnormal samples, which is applicable to any pre-trained softmax neural classifier. We obtain the class conditional Gaussian distributions with respect to (low- and upper-level) features of the deep models under Gaussian discriminant analysis, which result in a confidence score based on the Mahalanobis distance. While most prior methods have been evaluated for detecting either out-of-distribution or adversarial samples, but not both, the proposed method achieves the state-of-the-art performances for both cases in our experiments. Moreover, we found that our proposed method is more robust in harsh cases, e.g., when the training dataset has noisy labels or small number of samples. Finally, we show that the proposed method enjoys broader usage by applying it to class-incremental learning: whenever out-of-distribution samples are detected, our classification rule can incorporate new classes well without further training deep models.

End-to-end autonomous driving aims to build a fully differentiable system that takes raw sensor data as inputs and directly outputs the planned trajectory or control signals of the ego vehicle. State-of-the-art methods usually follow the `Teacher-Student' paradigm. The Teacher model uses privileged information (ground-truth states of surrounding agents and map elements) to learn the driving strategy. The student model only has access to raw sensor data and conducts behavior cloning on the data collected by the teacher model. By eliminating the noise of the perception part during planning learning, state-of-the-art works could achieve better performance with significantly less data compared to those coupled ones. However, under the current Teacher-Student paradigm, the student model still needs to learn a planning head from scratch, which could be challenging due to the redundant and noisy nature of raw sensor inputs and the casual confusion issue of behavior cloning. In this work, we aim to explore the possibility of directly adopting the strong teacher model to conduct planning while letting the student model focus more on the perception part. We find that even equipped with a SOTA perception model, directly letting the student model learn the required inputs of the teacher model leads to poor driving performance, which comes from the large distribution gap between predicted privileged inputs and the ground-truth. To this end, we propose DriveAdapter, which employs adapters with the feature alignment objective function between the student (perception) and teacher (planning) modules. Additionally, since the pure learning-based teacher model itself is imperfect and occasionally breaks safety rules, we propose a method of action-guided feature learning with a mask for those imperfect teacher features to further inject the priors of hand-crafted rules into the learning process.

In Large Language Model (LLM) development, Reinforcement Learning from Human Feedback (RLHF) is crucial for aligning models with human values and preferences. RLHF traditionally relies on the Kullback-Leibler (KL) divergence between the current policy and a frozen initial policy as a reference, which is added as a penalty in policy optimization algorithms like Proximal Policy Optimization (PPO). While this constraint prevents models from deviating too far from the initial checkpoint, it limits exploration of the reward landscape, reducing the model's ability to discover higher-quality solutions. As a result, policy optimization is often trapped in a narrow region of the parameter space, leading to suboptimal alignment and performance. This paper presents SALSA (Soup-based Alignment Learning for Stronger Adaptation), a novel approach designed to overcome these limitations by creating a more flexible and better located reference model through weight-space averaging of two independent supervised fine-tuned (SFT) models. This model soup allows for larger deviation in KL divergence and exploring a promising region of the solution space without sacrificing stability. By leveraging this more robust reference model, SALSA fosters better exploration, achieving higher rewards and improving model robustness, out-of-distribution generalization, and performance. We validate the effectiveness of SALSA through extensive experiments on popular open models (Llama2-7B, Mistral-7B, and Gemma-2B) across various benchmarks (MT-Bench, Arena-Hard, UltraFeedback), where it consistently surpasses PPO by fostering deeper exploration and achieving superior alignment in LLMs.

Brain Signals, such as Electroencephalography (EEG), and human languages have been widely explored independently for many downstream tasks, however, the connection between them has not been well explored. In this study, we explore the relationship and dependency between EEG and language. To study at the representation level, we introduced MTAM, a Multimodal Transformer Alignment Model, to observe coordinated representations between the two modalities. We used various relationship alignment-seeking techniques, such as Canonical Correlation Analysis and Wasserstein Distance, as loss functions to transfigure features. On downstream applications, sentiment analysis and relation detection, we achieved new state-of-the-art results on two datasets, ZuCo and K-EmoCon. Our method achieved an F1-score improvement of 1.7% on K-EmoCon and 9.3% on Zuco datasets for sentiment analysis, and 7.4% on ZuCo for relation detection. In addition, we provide interpretations of the performance improvement: (1) feature distribution shows the effectiveness of the alignment module for discovering and encoding the relationship between EEG and language; (2) alignment weights show the influence of different language semantics as well as EEG frequency features; (3) brain topographical maps provide an intuitive demonstration of the connectivity in the brain regions. Our code is available at https://github.com/Jason-Qiu/EEG_Language_Alignment.

Code-Switching (CS) multilingual Automatic Speech Recognition (ASR) models can transcribe speech containing two or more alternating languages during a conversation. This paper proposes (1) a new method for creating code-switching ASR datasets from purely monolingual data sources, and (2) a novel Concatenated Tokenizer that enables ASR models to generate language ID for each emitted text token while reusing existing monolingual tokenizers. The efficacy of these approaches for building CS ASR models is demonstrated for two language pairs, English-Hindi and English-Spanish, where we achieve new state-of-the-art results on the Miami Bangor CS evaluation corpus. In addition to competitive ASR performance, the proposed Concatenated Tokenizer models are highly effective for spoken language identification, achieving 98%+ accuracy on the out-of-distribution FLEURS dataset.

Large Language Models (LLMs) have shown stellar achievements in solving a broad range of tasks. When generating text, it is common to sample tokens from these models: whether LLMs closely align with the human disagreement distribution has not been well-studied, especially within the scope of Natural Language Inference (NLI). In this paper, we evaluate the performance and alignment of LLM distribution with humans using two different techniques: Monte Carlo Reconstruction (MCR) and Log Probability Reconstruction (LPR). As a result, we show LLMs exhibit limited ability in solving NLI tasks and simultaneously fail to capture human disagreement distribution, raising concerns about their natural language understanding (NLU) ability and their representativeness of human users.

Ensembles of independently trained neural networks are a state-of-the-art approach to estimate predictive uncertainty in Deep Learning, and can be interpreted as an approximation of the posterior distribution via a mixture of delta functions. The training of ensembles relies on non-convexity of the loss landscape and random initialization of their individual members, making the resulting posterior approximation uncontrolled. This paper proposes a novel and principled method to tackle this limitation, minimizing an f-divergence between the true posterior and a kernel density estimator (KDE) in a function space. We analyze this objective from a combinatorial point of view, and show that it is submodular with respect to mixture components for any f. Subsequently, we consider the problem of greedy ensemble construction. From the marginal gain on the negative f-divergence, which quantifies an improvement in posterior approximation yielded by adding a new component into the KDE, we derive a novel diversity term for ensemble methods. The performance of our approach is demonstrated on computer vision out-of-distribution detection benchmarks in a range of architectures trained on multiple datasets. The source code of our method is made publicly available at https://github.com/Oulu-IMEDS/greedy_ensembles_training.

The diverse agents in multi-agent perception systems may be from different companies. Each company might use the identical classic neural network architecture based encoder for feature extraction. However, the data source to train the various agents is independent and private in each company, leading to the Distribution Gap of different private data for training distinct agents in multi-agent perception system. The data silos by the above Distribution Gap could result in a significant performance decline in multi-agent perception. In this paper, we thoroughly examine the impact of the distribution gap on existing multi-agent perception systems. To break the data silos, we introduce the Feature Distribution-aware Aggregation (FDA) framework for cross-domain learning to mitigate the above Distribution Gap in multi-agent perception. FDA comprises two key components: Learnable Feature Compensation Module and Distribution-aware Statistical Consistency Module, both aimed at enhancing intermediate features to minimize the distribution gap among multi-agent features. Intensive experiments on the public OPV2V and V2XSet datasets underscore FDA's effectiveness in point cloud-based 3D object detection, presenting it as an invaluable augmentation to existing multi-agent perception systems.

Out-of-distribution (OOD) problems in few-shot classification (FSC) occur when novel classes sampled from testing distributions differ from base classes drawn from training distributions, which considerably degrades the performance of deep learning models deployed in real-world applications. Recent studies suggest that the OOD problems in FSC mainly including: (a) cross-domain few-shot classification (CD-FSC) and (b) spurious-correlation few-shot classification (SC-FSC). Specifically, CD-FSC occurs when a classifier learns transferring knowledge from base classes drawn from seen training distributions but recognizes novel classes sampled from unseen testing distributions. In contrast, SC-FSC arises when a classifier relies on non-causal features (or contexts) that happen to be correlated with the labels (or concepts) in base classes but such relationships no longer hold during the model deployment. Despite CD-FSC has been extensively studied, SC-FSC remains understudied due to lack of the corresponding evaluation benchmarks. To this end, we present Meta Concept Context (MetaCoCo), a benchmark with spurious-correlation shifts collected from real-world scenarios. Moreover, to quantify the extent of spurious-correlation shifts of the presented MetaCoCo, we further propose a metric by using CLIP as a pre-trained vision-language model. Extensive experiments on the proposed benchmark are performed to evaluate the state-of-the-art methods in FSC, cross-domain shifts, and self-supervised learning. The experimental results show that the performance of the existing methods degrades significantly in the presence of spurious-correlation shifts. We open-source all codes of our benchmark and hope that the proposed MetaCoCo can facilitate future research on spurious-correlation shifts problems in FSC. The code is available at: https://github.com/remiMZ/MetaCoCo-ICLR24.

This paper presents a simple and effective visual prompting method for adapting pre-trained models to downstream recognition tasks. Our method includes two key designs. First, rather than directly adding together the prompt and the image, we treat the prompt as an extra and independent learnable component. We show that the strategy of reconciling the prompt and the image matters, and find that warping the prompt around a properly shrinked image empirically works the best. Second, we re-introduce two "old tricks" commonly used in building transferable adversarial examples, i.e., input diversity and gradient normalization, into visual prompting. These techniques improve optimization and enable the prompt to generalize better. We provide extensive experimental results to demonstrate the effectiveness of our method. Using a CLIP model, our prompting method sets a new record of 82.8% average accuracy across 12 popular classification datasets, substantially surpassing the prior art by +5.6%. It is worth noting that this prompting performance already outperforms linear probing by +2.1% and can even match fully fine-tuning in certain datasets. In addition, our prompting method shows competitive performance across different data scales and against distribution shifts. The code is publicly available at https://github.com/UCSC-VLAA/EVP.

Despite the impressive performance of deep networks in vision, language, and healthcare, unpredictable behaviors on samples from the distribution different than the training distribution cause severe problems in deployment. For better reliability of neural-network-based classifiers, we define a new task, natural attribute-based shift (NAS) detection, to detect the samples shifted from the training distribution by some natural attribute such as age of subjects or brightness of images. Using the natural attributes present in existing datasets, we introduce benchmark datasets in vision, language, and medical for NAS detection. Further, we conduct an extensive evaluation of prior representative out-of-distribution (OOD) detection methods on NAS datasets and observe an inconsistency in their performance. To understand this, we provide an analysis on the relationship between the location of NAS samples in the feature space and the performance of distance- and confidence-based OOD detection methods. Based on the analysis, we split NAS samples into three categories and further suggest a simple modification to the training objective to obtain an improved OOD detection method that is capable of detecting samples from all NAS categories.

Many recent breakthroughs in machine learning have been enabled by the pre-trained foundation models. By scaling up model parameters, training data, and computation resources, foundation models have significantly advanced the state-of-the-art in many applications. However, it is still an open question of how to use these models to perform downstream tasks efficiently. Knowledge distillation (KD) has been explored to tackle this challenge. KD transfers knowledge from a large teacher model to a smaller student model. While KD has been successful in improving student model performance, recent research has discovered that a powerful teacher does not necessarily lead to a powerful student, due to their huge capacity gap. In addition, the potential distribution shifts between the pre-training data and downstream tasks can make knowledge transfer in KD sub-optimal for improving downstream task performance. In this paper, we extend KD with an interactive communication process to help students of downstream tasks learn effectively from pre-trained foundation models. Our design is inspired by the way humans learn from teachers who can explain knowledge in a way that meets the students' needs. Specifically, we let each model (i.e., student and teacher) train two components: (1) an encoder encoding the model's hidden states to a message and (2) a decoder decoding any messages to its own hidden states. With encoder and decoder, not only can the teacher transfer rich information by encoding its hidden states, but also the student can send messages with information of downstream tasks to the teacher. Therefore, knowledge passing from teacher to student can be tailored to the student's capacity and downstream tasks' distributions. We conducted experiments on benchmark datasets to show that our communication mechanism outperforms state-of-the-art distillation techniques.

Diffusion-based models have shown great potential in generating high-quality images with various layouts, which can benefit downstream perception tasks. However, a fully automatic layout generation driven only by language and a suitable metric for measuring multiple generated instances has not been well explored. In this work, we present Auto Cherry-Picker (ACP), a novel framework that generates high-quality multi-modal training examples to augment perception and multi-modal training. Starting with a simple list of natural language concepts, we prompt large language models (LLMs) to generate a detailed description and design reasonable layouts. Next, we use an off-the-shelf text-to-image model to generate multiple images. Then, the generated data are refined using a comprehensively designed metric to ensure quality. In particular, we present a new metric, Composite Layout and Image Score (CLIS), to evaluate the generated images fairly. Our synthetic high-quality examples boost performance in various scenarios by customizing the initial concept list, especially in addressing challenges associated with long-tailed distribution and imbalanced datasets. Experiment results on downstream tasks demonstrate that Auto Cherry-Picker can significantly improve the performance of existing models. In addition, we have thoroughly investigated the correlation between CLIS and performance gains in downstream tasks, and we find that a better CLIS score results in better performance. This finding shows the potential for evaluation metrics as the role for various visual perception and MLLM tasks. Code will be available.

The past decade has seen vast progress in deep reinforcement learning (RL) on the back of algorithms manually designed by human researchers. Recently, it has been shown that it is possible to meta-learn update rules, with the hope of discovering algorithms that can perform well on a wide range of RL tasks. Despite impressive initial results from algorithms such as Learned Policy Gradient (LPG), there remains a generalization gap when these algorithms are applied to unseen environments. In this work, we examine how characteristics of the meta-training distribution impact the generalization performance of these algorithms. Motivated by this analysis and building on ideas from Unsupervised Environment Design (UED), we propose a novel approach for automatically generating curricula to maximize the regret of a meta-learned optimizer, in addition to a novel approximation of regret, which we name algorithmic regret (AR). The result is our method, General RL Optimizers Obtained Via Environment Design (GROOVE). In a series of experiments, we show that GROOVE achieves superior generalization to LPG, and evaluate AR against baseline metrics from UED, identifying it as a critical component of environment design in this setting. We believe this approach is a step towards the discovery of truly general RL algorithms, capable of solving a wide range of real-world environments.

Representation learning seeks to expose certain aspects of observed data in a learned representation that's amenable to downstream tasks like classification. For instance, a good representation for 2D images might be one that describes only global structure and discards information about detailed texture. In this paper, we present a simple but principled method to learn such global representations by combining Variational Autoencoder (VAE) with neural autoregressive models such as RNN, MADE and PixelRNN/CNN. Our proposed VAE model allows us to have control over what the global latent code can learn and , by designing the architecture accordingly, we can force the global latent code to discard irrelevant information such as texture in 2D images, and hence the VAE only "autoencodes" data in a lossy fashion. In addition, by leveraging autoregressive models as both prior distribution p(z) and decoding distribution p(x|z), we can greatly improve generative modeling performance of VAEs, achieving new state-of-the-art results on MNIST, OMNIGLOT and Caltech-101 Silhouettes density estimation tasks.

Spiking neural networks are emerging as a promising energy-efficient alternative to traditional artificial neural networks due to their spike-driven paradigm. However, recent research in the SNN domain has mainly focused on enhancing accuracy by designing large-scale Transformer structures, which typically rely on substantial computational resources, limiting their deployment on resource-constrained devices. To overcome this challenge, we propose a quantized spike-driven Transformer baseline (QSD-Transformer), which achieves reduced resource demands by utilizing a low bit-width parameter. Regrettably, the QSD-Transformer often suffers from severe performance degradation. In this paper, we first conduct empirical analysis and find that the bimodal distribution of quantized spike-driven self-attention (Q-SDSA) leads to spike information distortion (SID) during quantization, causing significant performance degradation. To mitigate this issue, we take inspiration from mutual information entropy and propose a bi-level optimization strategy to rectify the information distribution in Q-SDSA. Specifically, at the lower level, we introduce an information-enhanced LIF to rectify the information distribution in Q-SDSA. At the upper level, we propose a fine-grained distillation scheme for the QSD-Transformer to align the distribution in Q-SDSA with that in the counterpart ANN. By integrating the bi-level optimization strategy, the QSD-Transformer can attain enhanced energy efficiency without sacrificing its high-performance advantage.For instance, when compared to the prior SNN benchmark on ImageNet, the QSD-Transformer achieves 80.3% top-1 accuracy, accompanied by significant reductions of 6.0times and 8.1times in power consumption and model size, respectively. Code is available at https://github.com/bollossom/QSD-Transformer.

Tokenization is associated with many poorly understood shortcomings in language models (LMs), yet remains an important component for long sequence scaling purposes. This work studies how tokenization impacts model performance by analyzing and comparing the stochastic behavior of tokenized models with their byte-level, or token-free, counterparts. We discover that, even when the two models are statistically equivalent, their predictive distributions over the next byte can be substantially different, a phenomenon we term as "tokenization bias''. To fully characterize this phenomenon, we introduce the Byte-Token Representation Lemma, a framework that establishes a mapping between the learned token distribution and its equivalent byte-level distribution. From this result, we develop a next-byte sampling algorithm that eliminates tokenization bias without requiring further training or optimization. In other words, this enables zero-shot conversion of tokenized LMs into statistically equivalent token-free ones. We demonstrate its broad applicability with two use cases: fill-in-the-middle (FIM) tasks and model ensembles. In FIM tasks where input prompts may terminate mid-token, leading to out-of-distribution tokenization, our method mitigates performance degradation and achieves an approximately 18% improvement in FIM coding benchmarks, consistently outperforming the standard token healing fix. For model ensembles where each model employs a distinct vocabulary, our approach enables seamless integration, resulting in improved performance (up to 3.7%) over individual models across various standard baselines in reasoning, knowledge, and coding.

Image-classification datasets have been used to pretrain image recognition models. Recently, web-scale image-caption datasets have emerged as a source of powerful pretraining alternative. Image-caption datasets are more ``open-domain'', containing a wider variety of scene types and vocabulary words than traditional classification datasets, and models trained on these datasets have demonstrated strong performance on few- and zero-shot recognition tasks. When naively unifying image-classification and -caption dataset, we show that such dataset biases negatively affect pre-training by reducing the generalizability of learned representations and thus jeopardizing zero-shot performance since the unification can tailor the model for the classification dataset, making it vulnerable to the distribution shift from the dataset. In this work, we address the problem by disentangling the dataset bias using prefix tokens that inform a language encoder of the type of the input dataset (e.g., image-classification or caption) at training time. This approach allows the language encoder to share the knowledge from two datasets as well as switch the mode of feature extraction, i.e., image-classification dataset or image-caption dataset tailored mode, where we use image-caption mode in the zero-shot evaluation. Our method is generic and can be easily integrated into existing VL pre-training objectives such as CLIP or UniCL. In experiments, we show that this simple technique improves the performance in zero-shot image recognition accuracy and robustness to the image-level distribution shift.

Training large language models to acquire specific skills remains a challenging endeavor. Conventional training approaches often struggle with data distribution imbalances and inadequacies in objective functions that do not align well with task-specific performance. To address these challenges, we introduce CycleQD, a novel approach that leverages the Quality Diversity framework through a cyclic adaptation of the algorithm, along with a model merging based crossover and an SVD-based mutation. In CycleQD, each task's performance metric is alternated as the quality measure while the others serve as the behavioral characteristics. This cyclic focus on individual tasks allows for concentrated effort on one task at a time, eliminating the need for data ratio tuning and simplifying the design of the objective function. Empirical results from AgentBench indicate that applying CycleQD to LLAMA3-8B-INSTRUCT based models not only enables them to surpass traditional fine-tuning methods in coding, operating systems, and database tasks, but also achieves performance on par with GPT-3.5-TURBO, which potentially contains much more parameters, across these domains. Crucially, this enhanced performance is achieved while retaining robust language capabilities, as evidenced by its performance on widely adopted language benchmark tasks. We highlight the key design choices in CycleQD, detailing how these contribute to its effectiveness. Furthermore, our method is general and can be applied to image segmentation models, highlighting its applicability across different domains.

Diffusion models have shown promising ability in generating high-quality time series (TS) data. Despite the initial success, existing works mostly focus on the authenticity of data at the individual level, but pay less attention to preserving the population-level properties on the entire dataset. Such population-level properties include value distributions for each dimension and distributions of certain functional dependencies (e.g., cross-correlation, CC) between different dimensions. For instance, when generating house energy consumption TS data, the value distributions of the outside temperature and the kitchen temperature should be preserved, as well as the distribution of CC between them. Preserving such TS population-level properties is critical in maintaining the statistical insights of the datasets, mitigating model bias, and augmenting downstream tasks like TS prediction. Yet, it is often overlooked by existing models. Hence, data generated by existing models often bear distribution shifts from the original data. We propose Population-aware Diffusion for Time Series (PaD-TS), a new TS generation model that better preserves the population-level properties. The key novelties of PaD-TS include 1) a new training method explicitly incorporating TS population-level property preservation, and 2) a new dual-channel encoder model architecture that better captures the TS data structure. Empirical results in major benchmark datasets show that PaD-TS can improve the average CC distribution shift score between real and synthetic data by 5.9x while maintaining a performance comparable to state-of-the-art models on individual-level authenticity.

Recent 3D generative models have achieved remarkable performance in synthesizing high resolution photorealistic images with view consistency and detailed 3D shapes, but training them for diverse domains is challenging since it requires massive training images and their camera distribution information. Text-guided domain adaptation methods have shown impressive performance on converting the 2D generative model on one domain into the models on other domains with different styles by leveraging the CLIP (Contrastive Language-Image Pre-training), rather than collecting massive datasets for those domains. However, one drawback of them is that the sample diversity in the original generative model is not well-preserved in the domain-adapted generative models due to the deterministic nature of the CLIP text encoder. Text-guided domain adaptation will be even more challenging for 3D generative models not only because of catastrophic diversity loss, but also because of inferior text-image correspondence and poor image quality. Here we propose DATID-3D, a domain adaptation method tailored for 3D generative models using text-to-image diffusion models that can synthesize diverse images per text prompt without collecting additional images and camera information for the target domain. Unlike 3D extensions of prior text-guided domain adaptation methods, our novel pipeline was able to fine-tune the state-of-the-art 3D generator of the source domain to synthesize high resolution, multi-view consistent images in text-guided targeted domains without additional data, outperforming the existing text-guided domain adaptation methods in diversity and text-image correspondence. Furthermore, we propose and demonstrate diverse 3D image manipulations such as one-shot instance-selected adaptation and single-view manipulated 3D reconstruction to fully enjoy diversity in text.

The activation function plays a crucial role in model optimisation, yet the optimal choice remains unclear. For example, the Sigmoid activation is the de-facto activation in balanced classification tasks, however, in imbalanced classification, it proves inappropriate due to bias towards frequent classes. In this work, we delve deeper in this phenomenon by performing a comprehensive statistical analysis in the classification and intermediate layers of both balanced and imbalanced networks and we empirically show that aligning the activation function with the data distribution, enhances the performance in both balanced and imbalanced tasks. To this end, we propose the Adaptive Parametric Activation (APA) function, a novel and versatile activation function that unifies most common activation functions under a single formula. APA can be applied in both intermediate layers and attention layers, significantly outperforming the state-of-the-art on several imbalanced benchmarks such as ImageNet-LT, iNaturalist2018, Places-LT, CIFAR100-LT and LVIS and balanced benchmarks such as ImageNet1K, COCO and V3DET. The code is available at https://github.com/kostas1515/AGLU.

This technical report provides a detailed overview of Endoscapes, a dataset of laparoscopic cholecystectomy (LC) videos with highly intricate annotations targeted at automated assessment of the Critical View of Safety (CVS). Endoscapes comprises 201 LC videos with frames annotated sparsely but regularly with segmentation masks, bounding boxes, and CVS assessment by three different clinical experts. Altogether, there are 11090 frames annotated with CVS and 1933 frames annotated with tool and anatomy bounding boxes from the 201 videos, as well as an additional 422 frames from 50 of the 201 videos annotated with tool and anatomy segmentation masks. In this report, we provide detailed dataset statistics (size, class distribution, dataset splits, etc.) and a comprehensive performance benchmark for instance segmentation, object detection, and CVS prediction. The dataset and model checkpoints are publically available at https://github.com/CAMMA-public/Endoscapes.

Despite excellent performance on stationary test sets, deep neural networks (DNNs) can fail to generalize to out-of-distribution (OoD) inputs, including natural, non-adversarial ones, which are common in real-world settings. In this paper, we present a framework for discovering DNN failures that harnesses 3D renderers and 3D models. That is, we estimate the parameters of a 3D renderer that cause a target DNN to misbehave in response to the rendered image. Using our framework and a self-assembled dataset of 3D objects, we investigate the vulnerability of DNNs to OoD poses of well-known objects in ImageNet. For objects that are readily recognized by DNNs in their canonical poses, DNNs incorrectly classify 97% of their pose space. In addition, DNNs are highly sensitive to slight pose perturbations. Importantly, adversarial poses transfer across models and datasets. We find that 99.9% and 99.4% of the poses misclassified by Inception-v3 also transfer to the AlexNet and ResNet-50 image classifiers trained on the same ImageNet dataset, respectively, and 75.5% transfer to the YOLOv3 object detector trained on MS COCO.

Recently, significant public efforts have been directed towards developing low-cost models with capabilities akin to ChatGPT, thereby fostering the growth of open-source conversational models. However, there remains a scarcity of comprehensive and in-depth evaluations of these models' performance. In this study, we examine the influence of training data factors, including quantity, quality, and linguistic distribution, on model performance. Our analysis is grounded in several publicly accessible, high-quality instruction datasets, as well as our own Chinese multi-turn conversations. We assess various models using a evaluation set of 1,000 samples, encompassing nine real-world scenarios. Our goal is to supplement manual evaluations with quantitative analyses, offering valuable insights for the continued advancement of open-source chat models. Furthermore, to enhance the performance and training and inference efficiency of models in the Chinese domain, we extend the vocabulary of LLaMA - the model with the closest open-source performance to proprietary language models like GPT-3 - and conduct secondary pre-training on 3.4B Chinese words. We make our model, data, as well as code publicly available.

In this paper, we show that useful video representations can be learned from synthetic videos and natural images, without incorporating natural videos in the training. We propose a progression of video datasets synthesized by simple generative processes, that model a growing set of natural video properties (e.g. motion, acceleration, and shape transformations). The downstream performance of video models pre-trained on these generated datasets gradually increases with the dataset progression. A VideoMAE model pre-trained on our synthetic videos closes 97.2% of the performance gap on UCF101 action classification between training from scratch and self-supervised pre-training from natural videos, and outperforms the pre-trained model on HMDB51. Introducing crops of static images to the pre-training stage results in similar performance to UCF101 pre-training and outperforms the UCF101 pre-trained model on 11 out of 14 out-of-distribution datasets of UCF101-P. Analyzing the low-level properties of the datasets, we identify correlations between frame diversity, frame similarity to natural data, and downstream performance. Our approach provides a more controllable and transparent alternative to video data curation processes for pre-training.

We introduce Lavender, a simple supervised fine-tuning (SFT) method that boosts the performance of advanced vision-language models (VLMs) by leveraging state-of-the-art image generation models such as Stable Diffusion. Specifically, Lavender aligns the text-vision attention in the VLM transformer with the equivalent used by Stable Diffusion during SFT, instead of adapting separate encoders. This alignment enriches the model's visual understanding and significantly boosts performance across in- and out-of-distribution tasks. Lavender requires just 0.13 million training examples, 2.5% of typical large-scale SFT datasets, and fine-tunes on standard hardware (8 GPUs) in a single day. It consistently improves state-of-the-art open-source multimodal LLMs (e.g., Llama-3.2-11B, MiniCPM-Llama3-v2.5), achieving up to 30% gains and a 68% boost on challenging out-of-distribution medical QA tasks. By efficiently transferring the visual expertise of image generators with minimal supervision, Lavender offers a scalable solution for more accurate vision-language systems. All code, training data, and models will be shared at https://astrazeneca.github.io/vlm/.

Bayesian Inference offers principled tools to tackle many critical problems with modern neural networks such as poor calibration and generalization, and data inefficiency. However, scaling Bayesian inference to large architectures is challenging and requires restrictive approximations. Monte Carlo Dropout has been widely used as a relatively cheap way for approximate Inference and to estimate uncertainty with deep neural networks. Traditionally, the dropout mask is sampled independently from a fixed distribution. Recent works show that the dropout mask can be viewed as a latent variable, which can be inferred with variational inference. These methods face two important challenges: (a) the posterior distribution over masks can be highly multi-modal which can be difficult to approximate with standard variational inference and (b) it is not trivial to fully utilize sample-dependent information and correlation among dropout masks to improve posterior estimation. In this work, we propose GFlowOut to address these issues. GFlowOut leverages the recently proposed probabilistic framework of Generative Flow Networks (GFlowNets) to learn the posterior distribution over dropout masks. We empirically demonstrate that GFlowOut results in predictive distributions that generalize better to out-of-distribution data, and provide uncertainty estimates which lead to better performance in downstream tasks.

Generalizing deep learning models to unknown target domain distribution with low latency has motivated research into test-time training/adaptation (TTT/TTA). Existing approaches often focus on improving test-time training performance under well-curated target domain data. As figured out in this work, many state-of-the-art methods fail to maintain the performance when the target domain is contaminated with strong out-of-distribution (OOD) data, a.k.a. open-world test-time training (OWTTT). The failure is mainly due to the inability to distinguish strong OOD samples from regular weak OOD samples. To improve the robustness of OWTTT we first develop an adaptive strong OOD pruning which improves the efficacy of the self-training TTT method. We further propose a way to dynamically expand the prototypes to represent strong OOD samples for an improved weak/strong OOD data separation. Finally, we regularize self-training with distribution alignment and the combination yields the state-of-the-art performance on 5 OWTTT benchmarks. The code is available at https://github.com/Yushu-Li/OWTTT.

Semantic segmentation methods have advanced significantly. Still, their robustness to real-world perturbations and object types not seen during training remains a challenge, particularly in safety-critical applications. We propose a novel approach to improve the robustness of semantic segmentation techniques by leveraging the synergy between label-to-image generators and image-to-label segmentation models. Specifically, we design Robusta, a novel robust conditional generative adversarial network to generate realistic and plausible perturbed images that can be used to train reliable segmentation models. We conduct in-depth studies of the proposed generative model, assess the performance and robustness of the downstream segmentation network, and demonstrate that our approach can significantly enhance the robustness in the face of real-world perturbations, distribution shifts, and out-of-distribution samples. Our results suggest that this approach could be valuable in safety-critical applications, where the reliability of perception modules such as semantic segmentation is of utmost importance and comes with a limited computational budget in inference. We release our code at https://github.com/ENSTA-U2IS/robusta.

Large language models (LLMs) are routinely pre-trained on billions of tokens, only to start the process over again once new data becomes available. A much more efficient solution is to continually pre-train these models, saving significant compute compared to re-training. However, the distribution shift induced by new data typically results in degraded performance on previous data or poor adaptation to the new data. In this work, we show that a simple and scalable combination of learning rate (LR) re-warming, LR re-decaying, and replay of previous data is sufficient to match the performance of fully re-training from scratch on all available data, as measured by final loss and language model (LM) evaluation benchmarks. Specifically, we show this for a weak but realistic distribution shift between two commonly used LLM pre-training datasets (EnglishrightarrowEnglish) and a stronger distribution shift (EnglishrightarrowGerman) at the 405M parameter model scale with large dataset sizes (hundreds of billions of tokens). Selecting the weak but realistic shift for larger-scale experiments, we also find that our continual learning strategies match the re-training baseline for a 10B parameter LLM. Our results demonstrate that LLMs can be successfully updated via simple and scalable continual learning strategies, matching the re-training baseline using only a fraction of the compute. Finally, inspired by previous work, we propose alternatives to the cosine learning rate schedule that help circumvent forgetting induced by LR re-warming and that are not bound to a fixed token budget.

A central notion in practical and theoretical machine learning is that of a weak learner, classifiers that achieve better-than-random performance (on any given distribution over data), even by a small margin. Such weak learners form the practical basis for canonical machine learning methods such as boosting. In this work, we illustrate that prompt-based large language models can operate effectively as said weak learners. Specifically, we illustrate the use of a large language model (LLM) as a weak learner in a boosting algorithm applied to tabular data. We show that by providing (properly sampled according to the distribution of interest) text descriptions of tabular data samples, LLMs can produce a summary of the samples that serves as a template for classification and achieves the aim of acting as a weak learner on this task. We incorporate these models into a boosting approach, which in some settings can leverage the knowledge within the LLM to outperform traditional tree-based boosting. The model outperforms both few-shot learning and occasionally even more involved fine-tuning procedures, particularly for tasks involving small numbers of data points. The results illustrate the potential for prompt-based LLMs to function not just as few-shot learners themselves, but as components of larger machine learning pipelines.

Large language models (LLMs) are routinely pre-trained on billions of tokens, only to restart the process over again once new data becomes available. A much cheaper and more efficient solution would be to enable the continual pre-training of these models, i.e. updating pre-trained models with new data instead of re-training them from scratch. However, the distribution shift induced by novel data typically results in degraded performance on past data. Taking a step towards efficient continual pre-training, in this work, we examine the effect of different warm-up strategies. Our hypothesis is that the learning rate must be re-increased to improve compute efficiency when training on a new dataset. We study the warmup phase of models pre-trained on the Pile (upstream data, 300B tokens) as we continue to pre-train on SlimPajama (downstream data, 297B tokens), following a linear warmup and cosine decay schedule. We conduct all experiments on the Pythia 410M language model architecture and evaluate performance through validation perplexity. We experiment with different pre-training checkpoints, various maximum learning rates, and various warmup lengths. Our results show that while rewarming models first increases the loss on upstream and downstream data, in the longer run it improves the downstream performance, outperforming models trained from scratchx2013even for a large downstream dataset.

The recent trend towards Personalized Federated Learning (PFL) has garnered significant attention as it allows for the training of models that are tailored to each client while maintaining data privacy. However, current PFL techniques primarily focus on modeling the conditional distribution heterogeneity (i.e. concept shift), which can result in suboptimal performance when the distribution of input data across clients diverges (i.e. covariate shift). Additionally, these techniques often lack the ability to adapt to unseen data, further limiting their effectiveness in real-world scenarios. To address these limitations, we propose a novel approach, FedGMM, which utilizes Gaussian mixture models (GMM) to effectively fit the input data distributions across diverse clients. The model parameters are estimated by maximum likelihood estimation utilizing a federated Expectation-Maximization algorithm, which is solved in closed form and does not assume gradient similarity. Furthermore, FedGMM possesses an additional advantage of adapting to new clients with minimal overhead, and it also enables uncertainty quantification. Empirical evaluations on synthetic and benchmark datasets demonstrate the superior performance of our method in both PFL classification and novel sample detection.

Audio Visual Scene-aware Dialog (AVSD) is the task of generating a response for a question with a given scene, video, audio, and the history of previous turns in the dialog. Existing systems for this task employ the transformers or recurrent neural network-based architecture with the encoder-decoder framework. Even though these techniques show superior performance for this task, they have significant limitations: the model easily overfits only to memorize the grammatical patterns; the model follows the prior distribution of the vocabularies in a dataset. To alleviate the problems, we propose a Multimodal Semantic Transformer Network. It employs a transformer-based architecture with an attention-based word embedding layer that generates words by querying word embeddings. With this design, our model keeps considering the meaning of the words at the generation stage. The empirical results demonstrate the superiority of our proposed model that outperforms most of the previous works for the AVSD task.

Deepfakes have raised significant concerns due to their potential to spread false information and compromise digital media integrity. Current deepfake detection models often struggle to generalize across a diverse range of deepfake generation techniques and video content. In this work, we propose a Generative Convolutional Vision Transformer (GenConViT) for deepfake video detection. Our model combines ConvNeXt and Swin Transformer models for feature extraction, and it utilizes Autoencoder and Variational Autoencoder to learn from the latent data distribution. By learning from the visual artifacts and latent data distribution, GenConViT achieves improved performance in detecting a wide range of deepfake videos. The model is trained and evaluated on DFDC, FF++, TM, DeepfakeTIMIT, and Celeb-DF (v2) datasets. The proposed GenConViT model demonstrates strong performance in deepfake video detection, achieving high accuracy across the tested datasets. While our model shows promising results in deepfake video detection by leveraging visual and latent features, we demonstrate that further work is needed to improve its generalizability, i.e., when encountering out-of-distribution data. Our model provides an effective solution for identifying a wide range of fake videos while preserving media integrity. The open-source code for GenConViT is available at https://github.com/erprogs/GenConViT.

Unsupervised domain adaptation (UDA) refers to a domain adaptation framework in which a learning model is trained based on the labeled samples on the source domain and unlabelled ones in the target domain. The dominant existing methods in the field that rely on the classical covariate shift assumption to learn domain-invariant feature representation have yielded suboptimal performance under the label distribution shift between source and target domains. In this paper, we propose a novel conditional adversarial support alignment (CASA) whose aim is to minimize the conditional symmetric support divergence between the source's and target domain's feature representation distributions, aiming at a more helpful representation for the classification task. We also introduce a novel theoretical target risk bound, which justifies the merits of aligning the supports of conditional feature distributions compared to the existing marginal support alignment approach in the UDA settings. We then provide a complete training process for learning in which the objective optimization functions are precisely based on the proposed target risk bound. Our empirical results demonstrate that CASA outperforms other state-of-the-art methods on different UDA benchmark tasks under label shift conditions.

Foundation models (FMs) are pre-trained on large-scale datasets and then fine-tuned on a downstream task for a specific application. The most successful and most commonly used fine-tuning method is to update the pre-trained weights via a low-rank adaptation (LoRA). LoRA introduces new weight matrices that are usually initialized at random with a uniform rank distribution across model weights. Recent works focus on weight-driven initialization or learning of adaptive ranks during training. Both approaches have only been investigated in isolation, resulting in slow convergence or a uniform rank distribution, in turn leading to sub-optimal performance. We propose to enhance LoRA by initializing the new weights in a data-driven manner by computing singular value decomposition on minibatches of activation vectors. Then, we initialize the LoRA matrices with the obtained right-singular vectors and re-distribute ranks among all weight matrices to explain the maximal amount of variance and continue the standard LoRA fine-tuning procedure. This results in our new method Explained Variance Adaptation (EVA). We apply EVA to a variety of fine-tuning tasks ranging from language generation and understanding to image classification and reinforcement learning. EVA exhibits faster convergence than competitors and attains the highest average score across a multitude of tasks per domain.

While the design of blind image quality assessment (IQA) algorithms has improved significantly, the distribution shift between the training and testing scenarios often leads to a poor performance of these methods at inference time. This motivates the study of test time adaptation (TTA) techniques to improve their performance at inference time. Existing auxiliary tasks and loss functions used for TTA may not be relevant for quality-aware adaptation of the pre-trained model. In this work, we introduce two novel quality-relevant auxiliary tasks at the batch and sample levels to enable TTA for blind IQA. In particular, we introduce a group contrastive loss at the batch level and a relative rank loss at the sample level to make the model quality aware and adapt to the target data. Our experiments reveal that even using a small batch of images from the test distribution helps achieve significant improvement in performance by updating the batch normalization statistics of the source model.

The transformer architecture and variants presented remarkable success across many machine learning tasks in recent years. This success is intrinsically related to the capability of handling long sequences and the presence of context-dependent weights from the attention mechanism. We argue that these capabilities suit the central role of a Meta-Reinforcement Learning algorithm. Indeed, a meta-RL agent needs to infer the task from a sequence of trajectories. Furthermore, it requires a fast adaptation strategy to adapt its policy for a new task -- which can be achieved using the self-attention mechanism. In this work, we present TrMRL (Transformers for Meta-Reinforcement Learning), a meta-RL agent that mimics the memory reinstatement mechanism using the transformer architecture. It associates the recent past of working memories to build an episodic memory recursively through the transformer layers. We show that the self-attention computes a consensus representation that minimizes the Bayes Risk at each layer and provides meaningful features to compute the best actions. We conducted experiments in high-dimensional continuous control environments for locomotion and dexterous manipulation. Results show that TrMRL presents comparable or superior asymptotic performance, sample efficiency, and out-of-distribution generalization compared to the baselines in these environments.

Despite recent progress in text-to-audio (TTA) generation, we show that the state-of-the-art models, such as AudioLDM, trained on datasets with an imbalanced class distribution, such as AudioCaps, are biased in their generation performance. Specifically, they excel in generating common audio classes while underperforming in the rare ones, thus degrading the overall generation performance. We refer to this problem as long-tailed text-to-audio generation. To address this issue, we propose a simple retrieval-augmented approach for TTA models. Specifically, given an input text prompt, we first leverage a Contrastive Language Audio Pretraining (CLAP) model to retrieve relevant text-audio pairs. The features of the retrieved audio-text data are then used as additional conditions to guide the learning of TTA models. We enhance AudioLDM with our proposed approach and denote the resulting augmented system as Re-AudioLDM. On the AudioCaps dataset, Re-AudioLDM achieves a state-of-the-art Frechet Audio Distance (FAD) of 1.37, outperforming the existing approaches by a large margin. Furthermore, we show that Re-AudioLDM can generate realistic audio for complex scenes, rare audio classes, and even unseen audio types, indicating its potential in TTA tasks.

Existing efforts in building GUI agents heavily rely on the availability of robust commercial Vision-Language Models (VLMs) such as GPT-4o and GeminiProVision. Practitioners are often reluctant to use open-source VLMs due to their significant performance lag compared to their closed-source counterparts, particularly in GUI grounding and Out-Of-Distribution (OOD) scenarios. To facilitate future research in this area, we developed OS-Atlas - a foundational GUI action model that excels at GUI grounding and OOD agentic tasks through innovations in both data and modeling. We have invested significant engineering effort in developing an open-source toolkit for synthesizing GUI grounding data across multiple platforms, including Windows, Linux, MacOS, Android, and the web. Leveraging this toolkit, we are releasing the largest open-source cross-platform GUI grounding corpus to date, which contains over 13 million GUI elements. This dataset, combined with innovations in model training, provides a solid foundation for OS-Atlas to understand GUI screenshots and generalize to unseen interfaces. Through extensive evaluation across six benchmarks spanning three different platforms (mobile, desktop, and web), OS-Atlas demonstrates significant performance improvements over previous state-of-the-art models. Our evaluation also uncovers valuable insights into continuously improving and scaling the agentic capabilities of open-source VLMs.

Continual pre-training has increasingly become the predominant approach for adapting Large Language Models (LLMs) to new domains. This process involves updating the pre-trained LLM with a corpus from a new domain, resulting in a shift in the training distribution. To study the behavior of LLMs during this shift, we measured the model's performance throughout the continual pre-training process. we observed a temporary performance drop at the beginning, followed by a recovery phase, a phenomenon known as the "stability gap," previously noted in vision models classifying new classes. To address this issue and enhance LLM performance within a fixed compute budget, we propose three effective strategies: (1) Continually pre-training the LLM on a subset with a proper size for multiple epochs, resulting in faster performance recovery than pre-training the LLM on a large corpus in a single epoch; (2) Pre-training the LLM only on high-quality sub-corpus, which rapidly boosts domain performance; and (3) Using a data mixture similar to the pre-training data to reduce distribution gap. We conduct various experiments on Llama-family models to validate the effectiveness of our strategies in both medical continual pre-training and instruction tuning. For example, our strategies improve the average medical task performance of the OpenLlama-3B model from 36.2% to 40.7% with only 40% of the original training budget and enhance the average general task performance without causing forgetting. Furthermore, we apply our strategies to the Llama-3-8B model. The resulting model, Llama-3-Physician, achieves the best medical performance among current open-source models, and performs comparably to or even better than GPT-4 on several medical benchmarks. We release our models at https://huggingface.co/YiDuo1999/Llama-3-Physician-8B-Instruct.

Stateful optimizers maintain gradient statistics over time, e.g., the exponentially smoothed sum (SGD with momentum) or squared sum (Adam) of past gradient values. This state can be used to accelerate optimization compared to plain stochastic gradient descent but uses memory that might otherwise be allocated to model parameters, thereby limiting the maximum size of models trained in practice. In this paper, we develop the first optimizers that use 8-bit statistics while maintaining the performance levels of using 32-bit optimizer states. To overcome the resulting computational, quantization, and stability challenges, we develop block-wise dynamic quantization. Block-wise quantization divides input tensors into smaller blocks that are independently quantized. Each block is processed in parallel across cores, yielding faster optimization and high precision quantization. To maintain stability and performance, we combine block-wise quantization with two additional changes: (1) dynamic quantization, a form of non-linear optimization that is precise for both large and small magnitude values, and (2) a stable embedding layer to reduce gradient variance that comes from the highly non-uniform distribution of input tokens in language models. As a result, our 8-bit optimizers maintain 32-bit performance with a small fraction of the memory footprint on a range of tasks, including 1.5B parameter language modeling, GLUE finetuning, ImageNet classification, WMT'14 machine translation, MoCo v2 contrastive ImageNet pretraining+finetuning, and RoBERTa pretraining, without changes to the original optimizer hyperparameters. We open-source our 8-bit optimizers as a drop-in replacement that only requires a two-line code change.

Text data augmentation is an effective strategy for overcoming the challenge of limited sample sizes in many natural language processing (NLP) tasks. This challenge is especially prominent in the few-shot learning scenario, where the data in the target domain is generally much scarcer and of lowered quality. A natural and widely-used strategy to mitigate such challenges is to perform data augmentation to better capture the data invariance and increase the sample size. However, current text data augmentation methods either can't ensure the correct labeling of the generated data (lacking faithfulness) or can't ensure sufficient diversity in the generated data (lacking compactness), or both. Inspired by the recent success of large language models, especially the development of ChatGPT, which demonstrated improved language comprehension abilities, in this work, we propose a text data augmentation approach based on ChatGPT (named AugGPT). AugGPT rephrases each sentence in the training samples into multiple conceptually similar but semantically different samples. The augmented samples can then be used in downstream model training. Experiment results on few-shot learning text classification tasks show the superior performance of the proposed AugGPT approach over state-of-the-art text data augmentation methods in terms of testing accuracy and distribution of the augmented samples.

Image generation abilities of text-to-image diffusion models have significantly advanced, yielding highly photo-realistic images from descriptive text and increasing the viability of leveraging synthetic images to train computer vision models. To serve as effective training data, generated images must be highly realistic while also sufficiently diverse within the support of the target data distribution. Yet, state-of-the-art conditional image generation models have been primarily optimized for creative applications, prioritizing image realism and prompt adherence over conditional diversity. In this paper, we investigate how to improve the diversity of generated images with the goal of increasing their effectiveness to train downstream image classification models, without fine-tuning the image generation model. We find that conditioning the generation process on an augmented real image and text prompt produces generations that serve as effective synthetic datasets for downstream training. Conditioning on real training images contextualizes the generation process to produce images that are in-domain with the real image distribution, while data augmentations introduce visual diversity that improves the performance of the downstream classifier. We validate augmentation-conditioning on a total of five established long-tail and few-shot image classification benchmarks and show that leveraging augmentations to condition the generation process results in consistent improvements over the state-of-the-art on the long-tailed benchmark and remarkable gains in extreme few-shot regimes of the remaining four benchmarks. These results constitute an important step towards effectively leveraging synthetic data for downstream training.

To obtain a near-optimal policy with fewer interactions in Reinforcement Learning (RL), a promising approach involves the combination of offline RL, which enhances sample efficiency by leveraging offline datasets, and online RL, which explores informative transitions by interacting with the environment. Offline-to-Online (O2O) RL provides a paradigm for improving an offline trained agent within limited online interactions. However, due to the significant distribution shift between online experiences and offline data, most offline RL algorithms suffer from performance drops and fail to achieve stable policy improvement in O2O adaptation. To address this problem, we propose the Robust Offline-to-Online (RO2O) algorithm, designed to enhance offline policies through uncertainty and smoothness, and to mitigate the performance drop in online adaptation. Specifically, RO2O incorporates Q-ensemble for uncertainty penalty and adversarial samples for policy and value smoothness, which enable RO2O to maintain a consistent learning procedure in online adaptation without requiring special changes to the learning objective. Theoretical analyses in linear MDPs demonstrate that the uncertainty and smoothness lead to a tighter optimality bound in O2O against distribution shift. Experimental results illustrate the superiority of RO2O in facilitating stable offline-to-online learning and achieving significant improvement with limited online interactions.