Daily Papers

This paper presents Deep Integrated Explanations (DIX) - a universal method for explaining vision models. DIX generates explanation maps by integrating information from the intermediate representations of the model, coupled with their corresponding gradients. Through an extensive array of both objective and subjective evaluations spanning diverse tasks, datasets, and model configurations, we showcase the efficacy of DIX in generating faithful and accurate explanation maps, while surpassing current state-of-the-art methods.

Explaining deep learning models operating on time series data is crucial in various applications of interest which require interpretable and transparent insights from time series signals. In this work, we investigate this problem from an information theoretic perspective and show that most existing measures of explainability may suffer from trivial solutions and distributional shift issues. To address these issues, we introduce a simple yet practical objective function for time series explainable learning. The design of the objective function builds upon the principle of information bottleneck (IB), and modifies the IB objective function to avoid trivial solutions and distributional shift issues. We further present TimeX++, a novel explanation framework that leverages a parametric network to produce explanation-embedded instances that are both in-distributed and label-preserving. We evaluate TimeX++ on both synthetic and real-world datasets comparing its performance against leading baselines, and validate its practical efficacy through case studies in a real-world environmental application. Quantitative and qualitative evaluations show that TimeX++ outperforms baselines across all datasets, demonstrating a substantial improvement in explanation quality for time series data. The source code is available at https://github.com/zichuan-liu/TimeXplusplus.

An emerging solution for explaining Transformer-based models is to use vector-based analysis on how the representations are formed. However, providing a faithful vector-based explanation for a multi-layer model could be challenging in three aspects: (1) Incorporating all components into the analysis, (2) Aggregating the layer dynamics to determine the information flow and mixture throughout the entire model, and (3) Identifying the connection between the vector-based analysis and the model's predictions. In this paper, we present DecompX to tackle these challenges. DecompX is based on the construction of decomposed token representations and their successive propagation throughout the model without mixing them in between layers. Additionally, our proposal provides multiple advantages over existing solutions for its inclusion of all encoder components (especially nonlinear feed-forward networks) and the classification head. The former allows acquiring precise vectors while the latter transforms the decomposition into meaningful prediction-based values, eliminating the need for norm- or summation-based vector aggregation. According to the standard faithfulness evaluations, DecompX consistently outperforms existing gradient-based and vector-based approaches on various datasets. Our code is available at https://github.com/mohsenfayyaz/DecompX.

Implicit models separate the definition of a layer from the description of its solution process. While implicit layers allow features such as depth to adapt to new scenarios and inputs automatically, this adaptivity makes its computational expense challenging to predict. In this manuscript, we increase the "implicitness" of the DEQ by redefining the method in terms of an infinite time neural ODE, which paradoxically decreases the training cost over a standard neural ODE by 2-4x. Additionally, we address the question: is there a way to simultaneously achieve the robustness of implicit layers while allowing the reduced computational expense of an explicit layer? To solve this, we develop Skip and Skip Reg. DEQ, an implicit-explicit (IMEX) layer that simultaneously trains an explicit prediction followed by an implicit correction. We show that training this explicit predictor is free and even decreases the training time by 1.11-3.19x. Together, this manuscript shows how bridging the dichotomy of implicit and explicit deep learning can combine the advantages of both techniques.

We introduce a new domain expert mixture (DEMix) layer that enables conditioning a language model (LM) on the domain of the input text. A DEMix layer is a collection of expert feedforward networks, each specialized to a domain, that makes the LM modular: experts can be mixed, added or removed after initial training. Extensive experiments with autoregressive transformer LMs (up to 1.3B parameters) show that DEMix layers reduce test-time perplexity, increase training efficiency, and enable rapid adaptation with little overhead. We show that mixing experts during inference, using a parameter-free weighted ensemble, allows the model to better generalize to heterogeneous or unseen domains. We also show that experts can be added to iteratively incorporate new domains without forgetting older ones, and that experts can be removed to restrict access to unwanted domains, without additional training. Overall, these results demonstrate benefits of explicitly conditioning on textual domains during language modeling.

Deep learning's great success motivates many practitioners and students to learn about this exciting technology. However, it is often challenging for beginners to take their first step due to the complexity of understanding and applying deep learning. We present CNN Explainer, an interactive visualization tool designed for non-experts to learn and examine convolutional neural networks (CNNs), a foundational deep learning model architecture. Our tool addresses key challenges that novices face while learning about CNNs, which we identify from interviews with instructors and a survey with past students. CNN Explainer tightly integrates a model overview that summarizes a CNN's structure, and on-demand, dynamic visual explanation views that help users understand the underlying components of CNNs. Through smooth transitions across levels of abstraction, our tool enables users to inspect the interplay between low-level mathematical operations and high-level model structures. A qualitative user study shows that CNN Explainer helps users more easily understand the inner workings of CNNs, and is engaging and enjoyable to use. We also derive design lessons from our study. Developed using modern web technologies, CNN Explainer runs locally in users' web browsers without the need for installation or specialized hardware, broadening the public's education access to modern deep learning techniques.

The latest Deep Learning (DL) models for detection and classification have achieved an unprecedented performance over classical machine learning algorithms. However, DL models are black-box methods hard to debug, interpret, and certify. DL alone cannot provide explanations that can be validated by a non technical audience. In contrast, symbolic AI systems that convert concepts into rules or symbols -- such as knowledge graphs -- are easier to explain. However, they present lower generalisation and scaling capabilities. A very important challenge is to fuse DL representations with expert knowledge. One way to address this challenge, as well as the performance-explainability trade-off is by leveraging the best of both streams without obviating domain expert knowledge. We tackle such problem by considering the symbolic knowledge is expressed in form of a domain expert knowledge graph. We present the eXplainable Neural-symbolic learning (X-NeSyL) methodology, designed to learn both symbolic and deep representations, together with an explainability metric to assess the level of alignment of machine and human expert explanations. The ultimate objective is to fuse DL representations with expert domain knowledge during the learning process to serve as a sound basis for explainability. X-NeSyL methodology involves the concrete use of two notions of explanation at inference and training time respectively: 1) EXPLANet: Expert-aligned eXplainable Part-based cLAssifier NETwork Architecture, a compositional CNN that makes use of symbolic representations, and 2) SHAP-Backprop, an explainable AI-informed training procedure that guides the DL process to align with such symbolic representations in form of knowledge graphs. We showcase X-NeSyL methodology using MonuMAI dataset for monument facade image classification, and demonstrate that our approach improves explainability and performance.

For an explanation of a deep learning model to be effective, it must provide both insight into a model and suggest a corresponding action in order to achieve some objective. Too often, the litany of proposed explainable deep learning methods stop at the first step, providing practitioners with insight into a model, but no way to act on it. In this paper, we propose contextual decomposition explanation penalization (CDEP), a method which enables practitioners to leverage existing explanation methods in order to increase the predictive accuracy of deep learning models. In particular, when shown that a model has incorrectly assigned importance to some features, CDEP enables practitioners to correct these errors by directly regularizing the provided explanations. Using explanations provided by contextual decomposition (CD) (Murdoch et al., 2018), we demonstrate the ability of our method to increase performance on an array of toy and real datasets.

In this paper, we introduce data multiplexing (DataMUX), a technique that enables deep neural networks to process multiple inputs simultaneously using a single compact representation. DataMUX demonstrates that neural networks are capable of generating accurate predictions over mixtures of inputs, resulting in increased throughput with minimal extra memory requirements. Our approach uses two key components -- 1) a multiplexing layer that performs a fixed linear transformation to each input before combining them to create a mixed representation of the same size as a single input, which is then processed by the base network, and 2) a demultiplexing layer that converts the base network's output back into independent representations before producing predictions for each input. We show the viability of DataMUX for different architectures (Transformers, and to a lesser extent MLPs and CNNs) across six different tasks spanning sentence classification, named entity recognition and image classification. For instance, DataMUX for Transformers can multiplex up to 20x/40x inputs, achieving 11x/18x increase in throughput with minimal absolute performance drops of <2% and <4% respectively on MNLI, a natural language inference task. We also provide a theoretical construction for multiplexing in self-attention networks and analyze the effect of various design elements in DataMUX.

Neurons in large language models often exhibit polysemanticity, simultaneously encoding multiple unrelated concepts and obscuring interpretability. Instead of relying on post-hoc methods, we present MoE-X, a Mixture-of-Experts (MoE) language model designed to be intrinsically interpretable. Our approach is motivated by the observation that, in language models, wider networks with sparse activations are more likely to capture interpretable factors. However, directly training such large sparse networks is computationally prohibitive. MoE architectures offer a scalable alternative by activating only a subset of experts for any given input, inherently aligning with interpretability objectives. In MoE-X, we establish this connection by rewriting the MoE layer as an equivalent sparse, large MLP. This approach enables efficient scaling of the hidden size while maintaining sparsity. To further enhance interpretability, we enforce sparse activation within each expert and redesign the routing mechanism to prioritize experts with the highest activation sparsity. These designs ensure that only the most salient features are routed and processed by the experts. We evaluate MoE-X on chess and natural language tasks, showing that it achieves performance comparable to dense models while significantly improving interpretability. MoE-X achieves a perplexity better than GPT-2, with interpretability surpassing even sparse autoencoder (SAE)-based approaches.

This paper presents ThinkDiff, a novel alignment paradigm that empowers text-to-image diffusion models with multimodal in-context understanding and reasoning capabilities by integrating the strengths of vision-language models (VLMs). Existing multimodal diffusion finetuning methods largely focus on pixel-level reconstruction rather than in-context reasoning, and are constrained by the complexity and limited availability of reasoning-based datasets. ThinkDiff addresses these challenges by leveraging vision-language training as a proxy task, aligning VLMs with the decoder of an encoder-decoder large language model (LLM) instead of a diffusion decoder. This proxy task builds on the observation that the LLM decoder shares the same input feature space with diffusion decoders that use the corresponding LLM encoder for prompt embedding. As a result, aligning VLMs with diffusion decoders can be simplified through alignment with the LLM decoder. Without complex training and datasets, ThinkDiff effectively unleashes understanding, reasoning, and composing capabilities in diffusion models. Experiments demonstrate that ThinkDiff significantly improves accuracy from 19.2% to 46.3% on the challenging CoBSAT benchmark for multimodal in-context reasoning generation, with only 5 hours of training on 4 A100 GPUs. Additionally, ThinkDiff demonstrates exceptional performance in composing multiple images and texts into logically coherent images. Project page: https://mizhenxing.github.io/ThinkDiff.

Interpreting time series models is uniquely challenging because it requires identifying both the location of time series signals that drive model predictions and their matching to an interpretable temporal pattern. While explainers from other modalities can be applied to time series, their inductive biases do not transfer well to the inherently challenging interpretation of time series. We present TimeX, a time series consistency model for training explainers. TimeX trains an interpretable surrogate to mimic the behavior of a pretrained time series model. It addresses the issue of model faithfulness by introducing model behavior consistency, a novel formulation that preserves relations in the latent space induced by the pretrained model with relations in the latent space induced by TimeX. TimeX provides discrete attribution maps and, unlike existing interpretability methods, it learns a latent space of explanations that can be used in various ways, such as to provide landmarks to visually aggregate similar explanations and easily recognize temporal patterns. We evaluate TimeX on eight synthetic and real-world datasets and compare its performance against state-of-the-art interpretability methods. We also conduct case studies using physiological time series. Quantitative evaluations demonstrate that TimeX achieves the highest or second-highest performance in every metric compared to baselines across all datasets. Through case studies, we show that the novel components of TimeX show potential for training faithful, interpretable models that capture the behavior of pretrained time series models.

Interpretation and explanation of deep models is critical towards wide adoption of systems that rely on them. In this paper, we propose a novel scheme for both interpretation as well as explanation in which, given a pretrained model, we automatically identify internal features relevant for the set of classes considered by the model, without relying on additional annotations. We interpret the model through average visualizations of this reduced set of features. Then, at test time, we explain the network prediction by accompanying the predicted class label with supporting visualizations derived from the identified features. In addition, we propose a method to address the artifacts introduced by stridded operations in deconvNet-based visualizations. Moreover, we introduce an8Flower, a dataset specifically designed for objective quantitative evaluation of methods for visual explanation.Experiments on the MNIST,ILSVRC12,Fashion144k and an8Flower datasets show that our method produces detailed explanations with good coverage of relevant features of the classes of interest

We present Learning to Explain (LTX), a model-agnostic framework designed for providing post-hoc explanations for vision models. The LTX framework introduces an "explainer" model that generates explanation maps, highlighting the crucial regions that justify the predictions made by the model being explained. To train the explainer, we employ a two-stage process consisting of initial pretraining followed by per-instance finetuning. During both stages of training, we utilize a unique configuration where we compare the explained model's prediction for a masked input with its original prediction for the unmasked input. This approach enables the use of a novel counterfactual objective, which aims to anticipate the model's output using masked versions of the input image. Importantly, the LTX framework is not restricted to a specific model architecture and can provide explanations for both Transformer-based and convolutional models. Through our evaluations, we demonstrate that LTX significantly outperforms the current state-of-the-art in explainability across various metrics.

Obtaining human-interpretable explanations of large, general-purpose language models is an urgent goal for AI safety. However, it is just as important that our interpretability methods are faithful to the causal dynamics underlying model behavior and able to robustly generalize to unseen inputs. Distributed Alignment Search (DAS) is a powerful gradient descent method grounded in a theory of causal abstraction that uncovered perfect alignments between interpretable symbolic algorithms and small deep learning models fine-tuned for specific tasks. In the present paper, we scale DAS significantly by replacing the remaining brute-force search steps with learned parameters -- an approach we call DAS. This enables us to efficiently search for interpretable causal structure in large language models while they follow instructions. We apply DAS to the Alpaca model (7B parameters), which, off the shelf, solves a simple numerical reasoning problem. With DAS, we discover that Alpaca does this by implementing a causal model with two interpretable boolean variables. Furthermore, we find that the alignment of neural representations with these variables is robust to changes in inputs and instructions. These findings mark a first step toward deeply understanding the inner-workings of our largest and most widely deployed language models.

Diffusion models have shown exceptional performance in visual generation tasks. Recently, these models have shifted from traditional U-Shaped CNN-Attention hybrid structures to fully transformer-based isotropic architectures. While these transformers exhibit strong scalability and performance, their reliance on complicated self-attention operation results in slow inference speeds. Contrary to these works, we rethink one of the simplest yet fastest module in deep learning, 3x3 Convolution, to construct a scaled-up purely convolutional diffusion model. We first discover that an Encoder-Decoder Hourglass design outperforms scalable isotropic architectures for Conv3x3, but still under-performing our expectation. Further improving the architecture, we introduce sparse skip connections to reduce redundancy and improve scalability. Based on the architecture, we introduce conditioning improvements including stage-specific embeddings, mid-block condition injection, and conditional gating. These improvements lead to our proposed Diffusion CNN (DiC), which serves as a swift yet competitive diffusion architecture baseline. Experiments on various scales and settings show that DiC surpasses existing diffusion transformers by considerable margins in terms of performance while keeping a good speed advantage. Project page: https://github.com/YuchuanTian/DiC

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and feature importance scores, that are difficult for non-data scientists to understand and thereby violate the purpose of explanations. Motivated by recent Explainable AI (XAI) research, we propose GraphXAIN, a method that generates natural language narratives explaining GNN predictions. GraphXAIN is a model- and explainer-agnostic method that uses Large Language Models (LLMs) to translate explanatory subgraphs and feature importance scores into coherent, story-like explanations of GNN decision-making processes. Evaluations on real-world datasets demonstrate GraphXAIN's ability to improve graph explanations. A survey of machine learning researchers and practitioners reveals that GraphXAIN enhances four explainability dimensions: understandability, satisfaction, convincingness, and suitability for communicating model predictions. When combined with another graph explainer method, GraphXAIN further improves trustworthiness, insightfulness, confidence, and usability. Notably, 95% of participants found GraphXAIN to be a valuable addition to the GNN explanation method. By incorporating natural language narratives, our approach serves both graph practitioners and non-expert users by providing clearer and more effective explanations.

Large language models (LLMs) based on decoder-only transformers have demonstrated superior text understanding capabilities compared to CLIP and T5-series models. However, the paradigm for utilizing current advanced LLMs in text-to-image diffusion models remains to be explored. We observed an unusual phenomenon: directly using a large language model as the prompt encoder significantly degrades the prompt-following ability in image generation. We identified two main obstacles behind this issue. One is the misalignment between the next token prediction training in LLM and the requirement for discriminative prompt features in diffusion models. The other is the intrinsic positional bias introduced by the decoder-only architecture. To deal with this issue, we propose a novel framework to fully harness the capabilities of LLMs. Through the carefully designed usage guidance, we effectively enhance the text representation capability for prompt encoding and eliminate its inherent positional bias. This allows us to integrate state-of-the-art LLMs into the text-to-image generation model flexibly. Furthermore, we also provide an effective manner to fuse multiple LLMs into our framework. Considering the excellent performance and scaling capabilities demonstrated by the transformer architecture, we further design an LLM-Infused Diffusion Transformer (LI-DiT) based on the framework. We conduct extensive experiments to validate LI-DiT across model size and data size. Benefiting from the inherent ability of the LLMs and our innovative designs, the prompt understanding performance of LI-DiT easily surpasses state-of-the-art open-source models as well as mainstream closed-source commercial models including Stable Diffusion 3, DALL-E 3, and Midjourney V6. The powerful LI-DiT-10B will be available after further optimization and security checks.

Deep learning models have achieved remarkable success in different areas of machine learning over the past decade; however, the size and complexity of these models make them difficult to understand. In an effort to make them more interpretable, several recent works focus on explaining parts of a deep neural network through human-interpretable, semantic attributes. However, it may be impossible to completely explain complex models using only semantic attributes. In this work, we propose to augment these attributes with a small set of uninterpretable features. Specifically, we develop a novel explanation framework ELUDE (Explanation via Labelled and Unlabelled DEcomposition) that decomposes a model's prediction into two parts: one that is explainable through a linear combination of the semantic attributes, and another that is dependent on the set of uninterpretable features. By identifying the latter, we are able to analyze the "unexplained" portion of the model, obtaining insights into the information used by the model. We show that the set of unlabelled features can generalize to multiple models trained with the same feature space and compare our work to two popular attribute-oriented methods, Interpretable Basis Decomposition and Concept Bottleneck, and discuss the additional insights ELUDE provides.

Explaining node predictions in graph neural networks (GNNs) often boils down to finding graph substructures that preserve predictions. Finding these structures usually implies back-propagating through the GNN, bonding the complexity (e.g., number of layers) of the GNN to the cost of explaining it. This naturally begs the question: Can we break this bond by explaining a simpler surrogate GNN? To answer the question, we propose Distill n' Explain (DnX). First, DnX learns a surrogate GNN via knowledge distillation. Then, DnX extracts node or edge-level explanations by solving a simple convex program. We also propose FastDnX, a faster version of DnX that leverages the linear decomposition of our surrogate model. Experiments show that DnX and FastDnX often outperform state-of-the-art GNN explainers while being orders of magnitude faster. Additionally, we support our empirical findings with theoretical results linking the quality of the surrogate model (i.e., distillation error) to the faithfulness of explanations.

Prostate cancer, a growing global health concern, necessitates precise diagnostic tools, with Magnetic Resonance Imaging (MRI) offering high-resolution soft tissue imaging that significantly enhances diagnostic accuracy. Recent advancements in explainable AI and representation learning have significantly improved prostate cancer diagnosis by enabling automated and precise lesion classification. However, existing explainable AI methods, particularly those based on frameworks like generative adversarial networks (GANs), are predominantly developed for natural image generation, and their application to medical imaging often leads to suboptimal performance due to the unique characteristics and complexity of medical image. To address these challenges, our paper introduces three key contributions. First, we propose ProjectedEx, a generative framework that provides interpretable, multi-attribute explanations, effectively linking medical image features to classifier decisions. Second, we enhance the encoder module by incorporating feature pyramids, which enables multiscale feedback to refine the latent space and improves the quality of generated explanations. Additionally, we conduct comprehensive experiments on both the generator and classifier, demonstrating the clinical relevance and effectiveness of ProjectedEx in enhancing interpretability and supporting the adoption of AI in medical settings. Code will be released at https://github.com/Richardqiyi/ProjectedEx

The field of explainable AI (XAI) has quickly become a thriving and prolific community. However, a silent, recurrent and acknowledged issue in this area is the lack of consensus regarding its terminology. In particular, each new contribution seems to rely on its own (and often intuitive) version of terms like "explanation" and "interpretation". Such disarray encumbers the consolidation of advances in the field towards the fulfillment of scientific and regulatory demands e.g., when comparing methods or establishing their compliance with respect to biases and fairness constraints. We propose a theoretical framework that not only provides concrete definitions for these terms, but it also outlines all steps necessary to produce explanations and interpretations. The framework also allows for existing contributions to be re-contextualized such that their scope can be measured, thus making them comparable to other methods. We show that this framework is compliant with desiderata on explanations, on interpretability and on evaluation metrics. We present a use-case showing how the framework can be used to compare LIME, SHAP and MDNet, establishing their advantages and shortcomings. Finally, we discuss relevant trends in XAI as well as recommendations for future work, all from the standpoint of our framework.

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning has emerged as a powerful tool for extracting insights from data. However, existing models typically specialize in either numeric or symbolic domains, and are usually trained in a supervised manner tailored to specific tasks. This approach neglects the substantial benefits that could arise from a task-agnostic unified understanding between symbolic equations and their numeric counterparts. To bridge the gap, we introduce SNIP, a Symbolic-Numeric Integrated Pre-training, which employs joint contrastive learning between symbolic and numeric domains, enhancing their mutual similarities in the pre-trained embeddings. By performing latent space analysis, we observe that SNIP provides cross-domain insights into the representations, revealing that symbolic supervision enhances the embeddings of numeric data and vice versa. We evaluate SNIP across diverse tasks, including symbolic-to-numeric mathematical property prediction and numeric-to-symbolic equation discovery, commonly known as symbolic regression. Results show that SNIP effectively transfers to various tasks, consistently outperforming fully supervised baselines and competing strongly with established task-specific methods, especially in few-shot learning scenarios where available data is limited.

Recent research arXiv:2410.15027 arXiv:2410.23775 has highlighted the inherent in-context generation capabilities of pretrained diffusion transformers (DiTs), enabling them to seamlessly adapt to diverse visual tasks with minimal or no architectural modifications. These capabilities are unlocked by concatenating self-attention tokens across multiple input and target images, combined with grouped and masked generation pipelines. Building upon this foundation, we present ChatDiT, a zero-shot, general-purpose, and interactive visual generation framework that leverages pretrained diffusion transformers in their original form, requiring no additional tuning, adapters, or modifications. Users can interact with ChatDiT to create interleaved text-image articles, multi-page picture books, edit images, design IP derivatives, or develop character design settings, all through free-form natural language across one or more conversational rounds. At its core, ChatDiT employs a multi-agent system comprising three key components: an Instruction-Parsing agent that interprets user-uploaded images and instructions, a Strategy-Planning agent that devises single-step or multi-step generation actions, and an Execution agent that performs these actions using an in-context toolkit of diffusion transformers. We thoroughly evaluate ChatDiT on IDEA-Bench arXiv:2412.11767, comprising 100 real-world design tasks and 275 cases with diverse instructions and varying numbers of input and target images. Despite its simplicity and training-free approach, ChatDiT surpasses all competitors, including those specifically designed and trained on extensive multi-task datasets. We further identify key limitations of pretrained DiTs in zero-shot adapting to tasks. We release all code, agents, results, and intermediate outputs to facilitate further research at https://github.com/ali-vilab/ChatDiT

MixUp is a recently proposed data-augmentation scheme, which linearly interpolates a random pair of training examples and correspondingly the one-hot representations of their labels. Training deep neural networks with such additional data is shown capable of significantly improving the predictive accuracy of the current art. The power of MixUp, however, is primarily established empirically and its working and effectiveness have not been explained in any depth. In this paper, we develop an understanding for MixUp as a form of "out-of-manifold regularization", which imposes certain "local linearity" constraints on the model's input space beyond the data manifold. This analysis enables us to identify a limitation of MixUp, which we call "manifold intrusion". In a nutshell, manifold intrusion in MixUp is a form of under-fitting resulting from conflicts between the synthetic labels of the mixed-up examples and the labels of original training data. Such a phenomenon usually happens when the parameters controlling the generation of mixing policies are not sufficiently fine-tuned on the training data. To address this issue, we propose a novel adaptive version of MixUp, where the mixing policies are automatically learned from the data using an additional network and objective function designed to avoid manifold intrusion. The proposed regularizer, AdaMixUp, is empirically evaluated on several benchmark datasets. Extensive experiments demonstrate that AdaMixUp improves upon MixUp when applied to the current art of deep classification models.

We view large language models (LLMs) as stochastic language layers in a network, where the learnable parameters are the natural language prompts at each layer. We stack two such layers, feeding the output of one layer to the next. We call the stacked architecture a Deep Language Network (DLN). We first show how to effectively perform prompt optimization for a 1-Layer language network (DLN-1). We then show how to train 2-layer DLNs (DLN-2), where two prompts must be learnt. We consider the output of the first layer as a latent variable to marginalize, and devise a variational inference algorithm for joint prompt training. A DLN-2 reaches higher performance than a single layer, sometimes comparable to few-shot GPT-4 even when each LLM in the network is smaller and less powerful. The DLN code is open source: https://github.com/microsoft/deep-language-networks .

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions of tokens. The standard approach is to represent each feature value as a d-dimensional embedding, introducing hundreds of billions of parameters for extremely high-cardinality features. This bottleneck has led to substantial progress in alternative embedding algorithms. Many of these methods, however, make the assumption that each feature uses an independent embedding table. This work introduces a simple yet highly effective framework, Feature Multiplexing, where one single representation space is used across many different categorical features. Our theoretical and empirical analysis reveals that multiplexed embeddings can be decomposed into components from each constituent feature, allowing models to distinguish between features. We show that multiplexed representations lead to Pareto-optimal parameter-accuracy tradeoffs for three public benchmark datasets. Further, we propose a highly practical approach called Unified Embedding with three major benefits: simplified feature configuration, strong adaptation to dynamic data distributions, and compatibility with modern hardware. Unified embedding gives significant improvements in offline and online metrics compared to highly competitive baselines across five web-scale search, ads, and recommender systems, where it serves billions of users across the world in industry-leading products.

We propose CX-ToM, short for counterfactual explanations with theory-of mind, a new explainable AI (XAI) framework for explaining decisions made by a deep convolutional neural network (CNN). In contrast to the current methods in XAI that generate explanations as a single shot response, we pose explanation as an iterative communication process, i.e. dialog, between the machine and human user. More concretely, our CX-ToM framework generates sequence of explanations in a dialog by mediating the differences between the minds of machine and human user. To do this, we use Theory of Mind (ToM) which helps us in explicitly modeling human's intention, machine's mind as inferred by the human as well as human's mind as inferred by the machine. Moreover, most state-of-the-art XAI frameworks provide attention (or heat map) based explanations. In our work, we show that these attention based explanations are not sufficient for increasing human trust in the underlying CNN model. In CX-ToM, we instead use counterfactual explanations called fault-lines which we define as follows: given an input image I for which a CNN classification model M predicts class c_pred, a fault-line identifies the minimal semantic-level features (e.g., stripes on zebra, pointed ears of dog), referred to as explainable concepts, that need to be added to or deleted from I in order to alter the classification category of I by M to another specified class c_alt. We argue that, due to the iterative, conceptual and counterfactual nature of CX-ToM explanations, our framework is practical and more natural for both expert and non-expert users to understand the internal workings of complex deep learning models. Extensive quantitative and qualitative experiments verify our hypotheses, demonstrating that our CX-ToM significantly outperforms the state-of-the-art explainable AI models.

Recent advances in efficient sequence modeling have led to attention-free layers, such as Mamba, RWKV, and various gated RNNs, all featuring sub-quadratic complexity in sequence length and excellent scaling properties, enabling the construction of a new type of foundation models. In this paper, we present a unified view of these models, formulating such layers as implicit causal self-attention layers. The formulation includes most of their sub-components and is not limited to a specific part of the architecture. The framework compares the underlying mechanisms on similar grounds for different layers and provides a direct means for applying explainability methods. Our experiments show that our attention matrices and attribution method outperform an alternative and a more limited formulation that was recently proposed for Mamba. For the other architectures for which our method is the first to provide such a view, our method is effective and competitive in the relevant metrics compared to the results obtained by state-of-the-art transformer explainability methods. Our code is publicly available.

Large-scale diffusion neural networks represent a substantial milestone in text-to-image generation, but they remain poorly understood, lacking interpretability analyses. In this paper, we perform a text-image attribution analysis on Stable Diffusion, a recently open-sourced model. To produce pixel-level attribution maps, we upscale and aggregate cross-attention word-pixel scores in the denoising subnetwork, naming our method DAAM. We evaluate its correctness by testing its semantic segmentation ability on nouns, as well as its generalized attribution quality on all parts of speech, rated by humans. We then apply DAAM to study the role of syntax in the pixel space, characterizing head--dependent heat map interaction patterns for ten common dependency relations. Finally, we study several semantic phenomena using DAAM, with a focus on feature entanglement, where we find that cohyponyms worsen generation quality and descriptive adjectives attend too broadly. To our knowledge, we are the first to interpret large diffusion models from a visuolinguistic perspective, which enables future lines of research. Our code is at https://github.com/castorini/daam.

Causal abstraction is a promising theoretical framework for explainable artificial intelligence that defines when an interpretable high-level causal model is a faithful simplification of a low-level deep learning system. However, existing causal abstraction methods have two major limitations: they require a brute-force search over alignments between the high-level model and the low-level one, and they presuppose that variables in the high-level model will align with disjoint sets of neurons in the low-level one. In this paper, we present distributed alignment search (DAS), which overcomes these limitations. In DAS, we find the alignment between high-level and low-level models using gradient descent rather than conducting a brute-force search, and we allow individual neurons to play multiple distinct roles by analyzing representations in non-standard bases-distributed representations. Our experiments show that DAS can discover internal structure that prior approaches miss. Overall, DAS removes previous obstacles to conducting causal abstraction analyses and allows us to find conceptual structure in trained neural nets.

Recently, large-scale diffusion models, e.g., Stable diffusion and DallE2, have shown remarkable results on image synthesis. On the other hand, large-scale cross-modal pre-trained models (e.g., CLIP, ALIGN, and FILIP) are competent for various downstream tasks by learning to align vision and language embeddings. In this paper, we explore the possibility of jointly modeling generation and discrimination. Specifically, we propose DiffDis to unify the cross-modal generative and discriminative pretraining into one single framework under the diffusion process. DiffDis first formulates the image-text discriminative problem as a generative diffusion process of the text embedding from the text encoder conditioned on the image. Then, we propose a novel dual-stream network architecture, which fuses the noisy text embedding with the knowledge of latent images from different scales for image-text discriminative learning. Moreover, the generative and discriminative tasks can efficiently share the image-branch network structure in the multi-modality model. Benefiting from diffusion-based unified training, DiffDis achieves both better generation ability and cross-modal semantic alignment in one architecture. Experimental results show that DiffDis outperforms single-task models on both the image generation and the image-text discriminative tasks, e.g., 1.65% improvement on average accuracy of zero-shot classification over 12 datasets and 2.42 improvement on FID of zero-shot image synthesis.

Federated Learning (FL) has been successfully adopted for distributed training and inference of large-scale Deep Neural Networks (DNNs). However, DNNs are characterized by an extremely large number of parameters, thus, yielding significant challenges in exchanging these parameters among distributed nodes and managing the memory. Although recent DNN compression methods (e.g., sparsification, pruning) tackle such challenges, they do not holistically consider an adaptively controlled reduction of parameter exchange while maintaining high accuracy levels. We, therefore, contribute with a novel FL framework (coined FedDIP), which combines (i) dynamic model pruning with error feedback to eliminate redundant information exchange, which contributes to significant performance improvement, with (ii) incremental regularization that can achieve extreme sparsity of models. We provide convergence analysis of FedDIP and report on a comprehensive performance and comparative assessment against state-of-the-art methods using benchmark data sets and DNN models. Our results showcase that FedDIP not only controls the model sparsity but efficiently achieves similar or better performance compared to other model pruning methods adopting incremental regularization during distributed model training. The code is available at: https://github.com/EricLoong/feddip.

Large language models exhibit exceptional generalization capabilities, primarily attributed to the utilization of diversely sourced data. However, conventional practices in integrating this diverse data heavily rely on heuristic schemes, lacking theoretical guidance. This research tackles these limitations by investigating strategies based on low-cost proxies for data mixtures, with the aim of streamlining data curation to enhance training efficiency. Specifically, we propose a unified scaling law, termed BiMix, which accurately models the bivariate scaling behaviors of both data quantity and mixing proportions. We conduct systematic experiments and provide empirical evidence for the predictive power and fundamental principles of BiMix. Notably, our findings reveal that entropy-driven training-free data mixtures can achieve comparable or even better performance than more resource-intensive methods. We hope that our quantitative insights can shed light on further judicious research and development in cost-effective language modeling.

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.

Diffusion Transformers (DiTs) have recently achieved remarkable success in text-guided image generation. In image editing, DiTs project text and image inputs to a joint latent space, from which they decode and synthesize new images. However, it remains largely unexplored how multimodal information collectively forms this joint space and how they guide the semantics of the synthesized images. In this paper, we investigate the latent space of DiT models and uncover two key properties: First, DiT's latent space is inherently semantically disentangled, where different semantic attributes can be controlled by specific editing directions. Second, consistent semantic editing requires utilizing the entire joint latent space, as neither encoded image nor text alone contains enough semantic information. We show that these editing directions can be obtained directly from text prompts, enabling precise semantic control without additional training or mask annotations. Based on these insights, we propose a simple yet effective Encode-Identify-Manipulate (EIM) framework for zero-shot fine-grained image editing. Specifically, we first encode both the given source image and the text prompt that describes the image, to obtain the joint latent embedding. Then, using our proposed Hessian Score Distillation Sampling (HSDS) method, we identify editing directions that control specific target attributes while preserving other image features. These directions are guided by text prompts and used to manipulate the latent embeddings. Moreover, we propose a new metric to quantify the disentanglement degree of the latent space of diffusion models. Extensive experiment results on our new curated benchmark dataset and analysis demonstrate DiT's disentanglement properties and effectiveness of the EIM framework.

Large Language Models (LLMs) are evolving at an unprecedented pace and have exhibited considerable capability in the realm of natural language processing (NLP) with world knowledge. Benefiting from ultra-large-scale training corpora, a single LLM can manage typical NLP tasks competently. However, its performance in executing reasoning tasks is still confined by the limitations of its internal representations. To push this boundary further, we introduce Corex in this paper, a suite of novel general-purpose strategies that transform LLMs into autonomous agents pioneering multi-model collaborations for complex task-solving. Inspired by human behaviors, Corex is constituted by diverse collaboration paradigms including Debate, Review, and Retrieve modes, which collectively work towards enhancing the factuality, faithfulness, and reliability of the reasoning process. These paradigms foster task-agnostic approaches that enable LLMs to ''think outside the box,'' thereby overcoming hallucinations and providing better solutions. Through extensive experiments across four different types of reasoning tasks, we demonstrate that orchestrating multiple LLMs to work in concert yields substantially better performance compared to existing methods. Further results and in-depth analysis demonstrate the cost-effectiveness of our method, facilitating collaboration among different LLMs and promoting annotation efficiency.

Multi-label classification problems with thousands of classes are hard to solve with in-context learning alone, as language models (LMs) might lack prior knowledge about the precise classes or how to assign them, and it is generally infeasible to demonstrate every class in a prompt. We propose a general program, Infer--Retrieve--Rank, that defines multi-step interactions between LMs and retrievers to efficiently tackle such problems. We implement this program using the DSPy programming model, which specifies in-context systems in a declarative manner, and use DSPy optimizers to tune it towards specific datasets by bootstrapping only tens of few-shot examples. Our primary extreme classification program, optimized separately for each task, attains state-of-the-art results across three benchmarks (HOUSE, TECH, TECHWOLF). We apply the same program to a benchmark with vastly different characteristics and attain competitive performance as well (BioDEX). Unlike prior work, our proposed solution requires no finetuning, is easily applicable to new tasks, alleviates prompt engineering, and requires only tens of labeled examples. Our code is public at https://github.com/KarelDO/xmc.dspy.

Graph Neural Networks (GNNs) have emerged as powerful tools to encode graph-structured data. Due to their broad applications, there is an increasing need to develop tools to explain how GNNs make decisions given graph-structured data. Existing learning-based GNN explanation approaches are task-specific in training and hence suffer from crucial drawbacks. Specifically, they are incapable of producing explanations for a multitask prediction model with a single explainer. They are also unable to provide explanations in cases where the GNN is trained in a self-supervised manner, and the resulting representations are used in future downstream tasks. To address these limitations, we propose a Task-Agnostic GNN Explainer (TAGE) that is independent of downstream models and trained under self-supervision with no knowledge of downstream tasks. TAGE enables the explanation of GNN embedding models with unseen downstream tasks and allows efficient explanation of multitask models. Our extensive experiments show that TAGE can significantly speed up the explanation efficiency by using the same model to explain predictions for multiple downstream tasks while achieving explanation quality as good as or even better than current state-of-the-art GNN explanation approaches. Our code is pubicly available as part of the DIG library at https://github.com/divelab/DIG/tree/main/dig/xgraph/TAGE/.

Diffusion Language Models (DLMs) have emerged as a promising new paradigm for text generative modeling, potentially addressing limitations of autoregressive (AR) models. However, current DLMs have been studied at a smaller scale compared to their AR counterparts and lack fair comparison on language modeling benchmarks. Additionally, training diffusion models from scratch at scale remains challenging. Given the prevalence of open-source AR language models, we propose adapting these models to build text diffusion models. We demonstrate connections between AR and diffusion modeling objectives and introduce a simple continual pre-training approach for training diffusion models. Through systematic evaluation on language modeling, reasoning, and commonsense benchmarks, we show that we can convert AR models ranging from 127M to 7B parameters (GPT2 and LLaMA) into diffusion models DiffuGPT and DiffuLLaMA, using less than 200B tokens for training. Our experimental results reveal that these models outperform earlier DLMs and are competitive with their AR counterparts. We release a suite of DLMs (with 127M, 355M, and 7B parameters) capable of generating fluent text, performing in-context learning, filling in the middle without prompt re-ordering, and following instructions https://github.com/HKUNLP/DiffuLLaMA.

In this paper, we present DiT-MoE, a sparse version of the diffusion Transformer, that is scalable and competitive with dense networks while exhibiting highly optimized inference. The DiT-MoE includes two simple designs: shared expert routing and expert-level balance loss, thereby capturing common knowledge and reducing redundancy among the different routed experts. When applied to conditional image generation, a deep analysis of experts specialization gains some interesting observations: (i) Expert selection shows preference with spatial position and denoising time step, while insensitive with different class-conditional information; (ii) As the MoE layers go deeper, the selection of experts gradually shifts from specific spacial position to dispersion and balance. (iii) Expert specialization tends to be more concentrated at the early time step and then gradually uniform after half. We attribute it to the diffusion process that first models the low-frequency spatial information and then high-frequency complex information. Based on the above guidance, a series of DiT-MoE experimentally achieves performance on par with dense networks yet requires much less computational load during inference. More encouragingly, we demonstrate the potential of DiT-MoE with synthesized image data, scaling diffusion model at a 16.5B parameter that attains a new SoTA FID-50K score of 1.80 in 512times512 resolution settings. The project page: https://github.com/feizc/DiT-MoE.

Feature visualization has gained substantial popularity, particularly after the influential work by Olah et al. in 2017, which established it as a crucial tool for explainability. However, its widespread adoption has been limited due to a reliance on tricks to generate interpretable images, and corresponding challenges in scaling it to deeper neural networks. Here, we describe MACO, a simple approach to address these shortcomings. The main idea is to generate images by optimizing the phase spectrum while keeping the magnitude constant to ensure that generated explanations lie in the space of natural images. Our approach yields significantly better results (both qualitatively and quantitatively) and unlocks efficient and interpretable feature visualizations for large state-of-the-art neural networks. We also show that our approach exhibits an attribution mechanism allowing us to augment feature visualizations with spatial importance. We validate our method on a novel benchmark for comparing feature visualization methods, and release its visualizations for all classes of the ImageNet dataset on https://serre-lab.github.io/Lens/. Overall, our approach unlocks, for the first time, feature visualizations for large, state-of-the-art deep neural networks without resorting to any parametric prior image model.

Recent research arXiv:2410.15027 has explored the use of diffusion transformers (DiTs) for task-agnostic image generation by simply concatenating attention tokens across images. However, despite substantial computational resources, the fidelity of the generated images remains suboptimal. In this study, we reevaluate and streamline this framework by hypothesizing that text-to-image DiTs inherently possess in-context generation capabilities, requiring only minimal tuning to activate them. Through diverse task experiments, we qualitatively demonstrate that existing text-to-image DiTs can effectively perform in-context generation without any tuning. Building on this insight, we propose a remarkably simple pipeline to leverage the in-context abilities of DiTs: (1) concatenate images instead of tokens, (2) perform joint captioning of multiple images, and (3) apply task-specific LoRA tuning using small datasets (e.g., 20sim 100 samples) instead of full-parameter tuning with large datasets. We name our models In-Context LoRA (IC-LoRA). This approach requires no modifications to the original DiT models, only changes to the training data. Remarkably, our pipeline generates high-fidelity image sets that better adhere to prompts. While task-specific in terms of tuning data, our framework remains task-agnostic in architecture and pipeline, offering a powerful tool for the community and providing valuable insights for further research on product-level task-agnostic generation systems. We release our code, data, and models at https://github.com/ali-vilab/In-Context-LoRA

Addressing the limitations of text as a source of accurate layout representation in text-conditional diffusion models, many works incorporate additional signals to condition certain attributes within a generated image. Although successful, previous works do not account for the specific localization of said attributes extended into the three dimensional plane. In this context, we present a conditional diffusion model that integrates control over three-dimensional object placement with disentangled representations of global stylistic semantics from multiple exemplar images. Specifically, we first introduce depth disentanglement training to leverage the relative depth of objects as an estimator, allowing the model to identify the absolute positions of unseen objects through the use of synthetic image triplets. We also introduce soft guidance, a method for imposing global semantics onto targeted regions without the use of any additional localization cues. Our integrated framework, Compose and Conquer (CnC), unifies these techniques to localize multiple conditions in a disentangled manner. We demonstrate that our approach allows perception of objects at varying depths while offering a versatile framework for composing localized objects with different global semantics. Code: https://github.com/tomtom1103/compose-and-conquer/

We introduce Diagram of Thought (DoT), a framework that models iterative reasoning in large language models (LLMs) as the construction of a directed acyclic graph (DAG) within a single model. Unlike traditional approaches that represent reasoning as linear chains or trees, DoT organizes propositions, critiques, refinements, and verifications into a cohesive DAG structure, allowing the model to explore complex reasoning pathways while maintaining logical consistency. Each node in the diagram corresponds to a proposition that has been proposed, critiqued, refined, or verified, enabling the LLM to iteratively improve its reasoning through natural language feedback. By leveraging auto-regressive next-token prediction with role-specific tokens, DoT facilitates seamless transitions between proposing ideas and critically evaluating them, providing richer feedback than binary signals. Furthermore, we formalize the DoT framework using Topos Theory, providing a mathematical foundation that ensures logical consistency and soundness in the reasoning process. This approach enhances both the training and inference processes within a single LLM, eliminating the need for multiple models or external control mechanisms. DoT offers a conceptual framework for designing next-generation reasoning-specialized models, emphasizing training efficiency, robust reasoning capabilities, and theoretical grounding. The code is available at https://github.com/diagram-of-thought/diagram-of-thought.

Chain-of-thought prompting~(CoT) and tool augmentation have been validated in recent work as effective practices for improving large language models~(LLMs) to perform step-by-step reasoning on complex math-related tasks. However, most existing math reasoning datasets may be not able to fully evaluate and analyze the ability of LLMs in manipulating tools and performing reasoning, as they may only require very few invocations of tools or miss annotations for evaluating intermediate reasoning steps. To address the issue, we construct CARP, a new Chinese dataset consisting of 4,886 computation-intensive algebra problems with formulated annotations on intermediate steps. In CARP, we test four LLMs with CoT prompting, and find that they are all prone to make mistakes at the early steps of the solution, leading to wrong answers. Based on this finding, we propose a new approach that can deliberate the reasoning steps with tool interfaces, namely DELI. In DELI, we first initialize a step-by-step solution based on retrieved exemplars, then iterate two deliberation procedures that check and refine the intermediate steps of the generated solution, from the perspectives of tool manipulation and natural language reasoning, until obtaining converged solutions or reaching the maximum turn. Experimental results on CARP and six other datasets show that the proposed DELI mostly outperforms competitive baselines, and can further boost the performance of existing CoT methods. Our data and code are available in https://github.com/RUCAIBox/CARP.

This paper tackles the memory hurdle of processing long context sequences in Large Language Models (LLMs), by presenting a novel approach, Dropping In Convolutions for Long Context Compression (LoCoCo). LoCoCo employs only a fixed-size Key-Value (KV) cache, and can enhance efficiency in both inference and fine-tuning stages. Diverging from prior methods that selectively drop KV pairs based on heuristics, LoCoCo leverages a data-driven adaptive fusion technique, blending previous KV pairs with incoming tokens to minimize the loss of contextual information and ensure accurate attention modeling. This token integration is achieved through injecting one-dimensional convolutional kernels that dynamically calculate mixing weights for each KV cache slot. Designed for broad compatibility with existing LLM frameworks, LoCoCo allows for straightforward "drop-in" integration without needing architectural modifications, while incurring minimal tuning overhead. Experiments demonstrate that LoCoCo maintains consistently outstanding performance across various context lengths and can achieve a high context compression rate during both inference and fine-tuning phases. During inference, we successfully compressed up to 3482 tokens into a 128-size KV cache, while retaining comparable performance to the full sequence - an accuracy improvement of up to 0.2791 compared to baselines at the same cache size. During post-training tuning, we also effectively extended the context length from 4K to 32K using a KV cache of fixed size 512, achieving performance similar to fine-tuning with entire sequences.

Customized generation aims to incorporate a novel concept into a pre-trained text-to-image model, enabling new generations of the concept in novel contexts guided by textual prompts. However, customized generation suffers from an inherent trade-off between concept fidelity and editability, i.e., between precisely modeling the concept and faithfully adhering to the prompts. Previous methods reluctantly seek a compromise and struggle to achieve both high concept fidelity and ideal prompt alignment simultaneously. In this paper, we propose a Divide, Conquer, then Integrate (DCI) framework, which performs a surgical adjustment in the early stage of denoising to liberate the fine-tuned model from the fidelity-editability trade-off at inference. The two conflicting components in the trade-off are decoupled and individually conquered by two collaborative branches, which are then selectively integrated to preserve high concept fidelity while achieving faithful prompt adherence. To obtain a better fine-tuned model, we introduce an Image-specific Context Optimization} (ICO) strategy for model customization. ICO replaces manual prompt templates with learnable image-specific contexts, providing an adaptive and precise fine-tuning direction to promote the overall performance. Extensive experiments demonstrate the effectiveness of our method in reconciling the fidelity-editability trade-off.

Embeddings have become a pivotal means to represent complex, multi-faceted information about entities, concepts, and relationships in a condensed and useful format. Nevertheless, they often preclude direct interpretation. While downstream tasks make use of these compressed representations, meaningful interpretation usually requires visualization using dimensionality reduction or specialized machine learning interpretability methods. This paper addresses the challenge of making such embeddings more interpretable and broadly useful, by employing Large Language Models (LLMs) to directly interact with embeddings -- transforming abstract vectors into understandable narratives. By injecting embeddings into LLMs, we enable querying and exploration of complex embedding data. We demonstrate our approach on a variety of diverse tasks, including: enhancing concept activation vectors (CAVs), communicating novel embedded entities, and decoding user preferences in recommender systems. Our work couples the immense information potential of embeddings with the interpretative power of LLMs.

Large language models (LLMs) have attracted huge interest in practical applications given their increasingly accurate responses and coherent reasoning abilities. Given their nature as black-boxes using complex reasoning processes on their inputs, it is inevitable that the demand for scalable and faithful explanations for LLMs' generated content will continue to grow. There have been major developments in the explainability of neural network models over the past decade. Among them, post-hoc explainability methods, especially Shapley values, have proven effective for interpreting deep learning models. However, there are major challenges in scaling up Shapley values for LLMs, particularly when dealing with long input contexts containing thousands of tokens and autoregressively generated output sequences. Furthermore, it is often unclear how to effectively utilize generated explanations to improve the performance of LLMs. In this paper, we introduce TextGenSHAP, an efficient post-hoc explanation method incorporating LM-specific techniques. We demonstrate that this leads to significant increases in speed compared to conventional Shapley value computations, reducing processing times from hours to minutes for token-level explanations, and to just seconds for document-level explanations. In addition, we demonstrate how real-time Shapley values can be utilized in two important scenarios, providing better understanding of long-document question answering by localizing important words and sentences; and improving existing document retrieval systems through enhancing the accuracy of selected passages and ultimately the final responses.

Disentangling model activations into meaningful features is a central problem in interpretability. However, the absence of ground-truth for these features in realistic scenarios makes validating recent approaches, such as sparse dictionary learning, elusive. To address this challenge, we propose a framework for evaluating feature dictionaries in the context of specific tasks, by comparing them against supervised feature dictionaries. First, we demonstrate that supervised dictionaries achieve excellent approximation, control, and interpretability of model computations on the task. Second, we use the supervised dictionaries to develop and contextualize evaluations of unsupervised dictionaries along the same three axes. We apply this framework to the indirect object identification (IOI) task using GPT-2 Small, with sparse autoencoders (SAEs) trained on either the IOI or OpenWebText datasets. We find that these SAEs capture interpretable features for the IOI task, but they are less successful than supervised features in controlling the model. Finally, we observe two qualitative phenomena in SAE training: feature occlusion (where a causally relevant concept is robustly overshadowed by even slightly higher-magnitude ones in the learned features), and feature over-splitting (where binary features split into many smaller, less interpretable features). We hope that our framework will provide a useful step towards more objective and grounded evaluations of sparse dictionary learning methods.

Diffusion models have emerged as the new state-of-the-art family of deep generative models, and their promising potentials for text generation have recently attracted increasing attention. Existing studies mostly adopt a single encoder architecture with partially noising processes for conditional text generation, but its degree of flexibility for conditional modeling is limited. In fact, the encoder-decoder architecture is naturally more flexible for its detachable encoder and decoder modules, which is extensible to multilingual and multimodal generation tasks for conditions and target texts. However, the encoding process of conditional texts lacks the understanding of target texts. To this end, a spiral interaction architecture for encoder-decoder text diffusion (DiffuSIA) is proposed. Concretely, the conditional information from encoder is designed to be captured by the diffusion decoder, while the target information from decoder is designed to be captured by the conditional encoder. These two types of information flow run through multilayer interaction spirally for deep fusion and understanding. DiffuSIA is evaluated on four text generation tasks, including paraphrase, text simplification, question generation, and open-domain dialogue generation. Experimental results show that DiffuSIA achieves competitive performance among previous methods on all four tasks, demonstrating the effectiveness and generalization ability of the proposed method.

Many interpretable AI approaches have been proposed to provide plausible explanations for a model's decision-making. However, configuring an explainable model that effectively communicates among computational modules has received less attention. A recently proposed shared global workspace theory showed that networks of distributed modules can benefit from sharing information with a bottlenecked memory because the communication constraints encourage specialization, compositionality, and synchronization among the modules. Inspired by this, we propose Concept-Centric Transformers, a simple yet effective configuration of the shared global workspace for interpretability, consisting of: i) an object-centric-based memory module for extracting semantic concepts from input features, ii) a cross-attention mechanism between the learned concept and input embeddings, and iii) standard classification and explanation losses to allow human analysts to directly assess an explanation for the model's classification reasoning. We test our approach against other existing concept-based methods on classification tasks for various datasets, including CIFAR100, CUB-200-2011, and ImageNet, and we show that our model achieves better classification accuracy than all baselines across all problems but also generates more consistent concept-based explanations of classification output.

We present Visual Lexicon, a novel visual language that encodes rich image information into the text space of vocabulary tokens while retaining intricate visual details that are often challenging to convey in natural language. Unlike traditional methods that prioritize either high-level semantics (e.g., CLIP) or pixel-level reconstruction (e.g., VAE), ViLex simultaneously captures rich semantic content and fine visual details, enabling high-quality image generation and comprehensive visual scene understanding. Through a self-supervised learning pipeline, ViLex generates tokens optimized for reconstructing input images using a frozen text-to-image (T2I) diffusion model, preserving the detailed information necessary for high-fidelity semantic-level reconstruction. As an image embedding in the language space, ViLex tokens leverage the compositionality of natural languages, allowing them to be used independently as "text tokens" or combined with natural language tokens to prompt pretrained T2I models with both visual and textual inputs, mirroring how we interact with vision-language models (VLMs). Experiments demonstrate that ViLex achieves higher fidelity in image reconstruction compared to text embeddings--even with a single ViLex token. Moreover, ViLex successfully performs various DreamBooth tasks in a zero-shot, unsupervised manner without fine-tuning T2I models. Additionally, ViLex serves as a powerful vision encoder, consistently improving vision-language model performance across 15 benchmarks relative to a strong SigLIP baseline.

In-context generation is a key component of large language models' (LLMs) open-task generalization capability. By leveraging a few examples as context, LLMs can perform both in-domain and out-of-domain tasks. Recent advancements in auto-regressive vision-language models (VLMs) built upon LLMs have showcased impressive performance in text-to-image generation. However, the potential of in-context learning for general image generation tasks remains largely unexplored. To address this, we introduce X-Prompt, a purely auto-regressive large-vision language model designed to deliver competitive performance across a wide range of both seen and unseen image generation tasks, all within a unified in-context learning framework. X-Prompt incorporates a specialized design that efficiently compresses valuable features from in-context examples, supporting longer in-context token sequences and improving its ability to generalize to unseen tasks. A unified training task for both text and image prediction enables X-Prompt to handle general image generation with enhanced task awareness from in-context examples. Extensive experiments validate the model's performance across diverse seen image generation tasks and its capacity to generalize to previously unseen tasks.

Despite increasing progress in development of methods for generating visual counterfactual explanations, especially with the recent rise of Denoising Diffusion Probabilistic Models, previous works consider them as an entirely local technique. In this work, we take the first step at globalizing them. Specifically, we discover that the latent space of Diffusion Autoencoders encodes the inference process of a given classifier in the form of global directions. We propose a novel proxy-based approach that discovers two types of these directions with the use of only single image in an entirely black-box manner. Precisely, g-directions allow for flipping the decision of a given classifier on an entire dataset of images, while h-directions further increase the diversity of explanations. We refer to them in general as Global Counterfactual Directions (GCDs). Moreover, we show that GCDs can be naturally combined with Latent Integrated Gradients resulting in a new black-box attribution method, while simultaneously enhancing the understanding of counterfactual explanations. We validate our approach on existing benchmarks and show that it generalizes to real-world use-cases.

Deep implicit functions have been found to be an effective tool for efficiently encoding all manner of natural signals. Their attractiveness stems from their ability to compactly represent signals with little to no off-line training data. Instead, they leverage the implicit bias of deep networks to decouple hidden redundancies within the signal. In this paper, we explore the hypothesis that additional compression can be achieved by leveraging the redundancies that exist between layers. We propose to use a novel run-time decoder-only hypernetwork - that uses no offline training data - to better model this cross-layer parameter redundancy. Previous applications of hyper-networks with deep implicit functions have applied feed-forward encoder/decoder frameworks that rely on large offline datasets that do not generalize beyond the signals they were trained on. We instead present a strategy for the initialization of run-time deep implicit functions for single-instance signals through a Decoder-Only randomly projected Hypernetwork (D'OH). By directly changing the dimension of a latent code to approximate a target implicit neural architecture, we provide a natural way to vary the memory footprint of neural representations without the costly need for neural architecture search on a space of alternative low-rate structures.

Today's most advanced machine-learning models are hardly scrutable. The key challenge for explainability methods is to help assisting researchers in opening up these black boxes, by revealing the strategy that led to a given decision, by characterizing their internal states or by studying the underlying data representation. To address this challenge, we have developed Xplique: a software library for explainability which includes representative explainability methods as well as associated evaluation metrics. It interfaces with one of the most popular learning libraries: Tensorflow as well as other libraries including PyTorch, scikit-learn and Theano. The code is licensed under the MIT license and is freely available at github.com/deel-ai/xplique.

Convolutional neural network (CNN) models for computer vision are powerful but lack explainability in their most basic form. This deficiency remains a key challenge when applying CNNs in important domains. Recent work on explanations through feature importance of approximate linear models has moved from input-level features (pixels or segments) to features from mid-layer feature maps in the form of concept activation vectors (CAVs). CAVs contain concept-level information and could be learned via clustering. In this work, we rethink the ACE algorithm of Ghorbani et~al., proposing an alternative invertible concept-based explanation (ICE) framework to overcome its shortcomings. Based on the requirements of fidelity (approximate models to target models) and interpretability (being meaningful to people), we design measurements and evaluate a range of matrix factorization methods with our framework. We find that non-negative concept activation vectors (NCAVs) from non-negative matrix factorization provide superior performance in interpretability and fidelity based on computational and human subject experiments. Our framework provides both local and global concept-level explanations for pre-trained CNN models.

We introduce the novel Diffusion Visual Programmer (DVP), a neuro-symbolic image translation framework. Our proposed DVP seamlessly embeds a condition-flexible diffusion model within the GPT architecture, orchestrating a coherent sequence of visual programs (i.e., computer vision models) for various pro-symbolic steps, which span RoI identification, style transfer, and position manipulation, facilitating transparent and controllable image translation processes. Extensive experiments demonstrate DVP's remarkable performance, surpassing concurrent arts. This success can be attributed to several key features of DVP: First, DVP achieves condition-flexible translation via instance normalization, enabling the model to eliminate sensitivity caused by the manual guidance and optimally focus on textual descriptions for high-quality content generation. Second, the framework enhances in-context reasoning by deciphering intricate high-dimensional concepts in feature spaces into more accessible low-dimensional symbols (e.g., [Prompt], [RoI object]), allowing for localized, context-free editing while maintaining overall coherence. Last but not least, DVP improves systemic controllability and explainability by offering explicit symbolic representations at each programming stage, empowering users to intuitively interpret and modify results. Our research marks a substantial step towards harmonizing artificial image translation processes with cognitive intelligence, promising broader applications.

We introduce infty-Diff, a generative diffusion model which directly operates on infinite resolution data. By randomly sampling subsets of coordinates during training and learning to denoise the content at those coordinates, a continuous function is learned that allows sampling at arbitrary resolutions. In contrast to other recent infinite resolution generative models, our approach operates directly on the raw data, not requiring latent vector compression for context, using hypernetworks, nor relying on discrete components. As such, our approach achieves significantly higher sample quality, as evidenced by lower FID scores, as well as being able to effectively scale to higher resolutions than the training data while retaining detail.

This paper presents a new exploration into a category of diffusion models built upon state space architecture. We endeavor to train diffusion models for image data, wherein the traditional U-Net backbone is supplanted by a state space backbone, functioning on raw patches or latent space. Given its notable efficacy in accommodating long-range dependencies, Diffusion State Space Models (DiS) are distinguished by treating all inputs including time, condition, and noisy image patches as tokens. Our assessment of DiS encompasses both unconditional and class-conditional image generation scenarios, revealing that DiS exhibits comparable, if not superior, performance to CNN-based or Transformer-based U-Net architectures of commensurate size. Furthermore, we analyze the scalability of DiS, gauged by the forward pass complexity quantified in Gflops. DiS models with higher Gflops, achieved through augmentation of depth/width or augmentation of input tokens, consistently demonstrate lower FID. In addition to demonstrating commendable scalability characteristics, DiS-H/2 models in latent space achieve performance levels akin to prior diffusion models on class-conditional ImageNet benchmarks at the resolution of 256times256 and 512times512, while significantly reducing the computational burden. The code and models are available at: https://github.com/feizc/DiS.

Diffusion Transformers (DiT) have attracted significant attention in research. However, they suffer from a slow convergence rate. In this paper, we aim to accelerate DiT training without any architectural modification. We identify the following issues in the training process: firstly, certain training strategies do not consistently perform well across different data. Secondly, the effectiveness of supervision at specific timesteps is limited. In response, we propose the following contributions: (1) We introduce a new perspective for interpreting the failure of the strategies. Specifically, we slightly extend the definition of Signal-to-Noise Ratio (SNR) and suggest observing the Probability Density Function (PDF) of SNR to understand the essence of the data robustness of the strategy. (2) We conduct numerous experiments and report over one hundred experimental results to empirically summarize a unified accelerating strategy from the perspective of PDF. (3) We develop a new supervision method that further accelerates the training process of DiT. Based on them, we propose FasterDiT, an exceedingly simple and practicable design strategy. With few lines of code modifications, it achieves 2.30 FID on ImageNet 256 resolution at 1000k iterations, which is comparable to DiT (2.27 FID) but 7 times faster in training.

Interpretability tools that offer explanations in the form of a dialogue have demonstrated their efficacy in enhancing users' understanding, as one-off explanations may occasionally fall short in providing sufficient information to the user. Current solutions for dialogue-based explanations, however, require many dependencies and are not easily transferable to tasks they were not designed for. With LLMCheckup, we present an easily accessible tool that allows users to chat with any state-of-the-art large language model (LLM) about its behavior. We enable LLMs to generate all explanations by themselves and take care of intent recognition without fine-tuning, by connecting them with a broad spectrum of Explainable AI (XAI) tools, e.g. feature attributions, embedding-based similarity, and prompting strategies for counterfactual and rationale generation. LLM (self-)explanations are presented as an interactive dialogue that supports follow-up questions and generates suggestions. LLMCheckup provides tutorials for operations available in the system, catering to individuals with varying levels of expertise in XAI and supports multiple input modalities. We introduce a new parsing strategy called multi-prompt parsing substantially enhancing the parsing accuracy of LLMs. Finally, we showcase the tasks of fact checking and commonsense question answering.

We study the problem of attributing the prediction of a deep network to its input features, a problem previously studied by several other works. We identify two fundamental axioms---Sensitivity and Implementation Invariance that attribution methods ought to satisfy. We show that they are not satisfied by most known attribution methods, which we consider to be a fundamental weakness of those methods. We use the axioms to guide the design of a new attribution method called Integrated Gradients. Our method requires no modification to the original network and is extremely simple to implement; it just needs a few calls to the standard gradient operator. We apply this method to a couple of image models, a couple of text models and a chemistry model, demonstrating its ability to debug networks, to extract rules from a network, and to enable users to engage with models better.

Customized text-to-image generation, which aims to learn user-specified concepts with a few images, has drawn significant attention recently. However, existing methods usually suffer from overfitting issues and entangle the subject-unrelated information (e.g., background and pose) with the learned concept, limiting the potential to compose concept into new scenes. To address these issues, we propose the DETEX, a novel approach that learns the disentangled concept embedding for flexible customized text-to-image generation. Unlike conventional methods that learn a single concept embedding from the given images, our DETEX represents each image using multiple word embeddings during training, i.e., a learnable image-shared subject embedding and several image-specific subject-unrelated embeddings. To decouple irrelevant attributes (i.e., background and pose) from the subject embedding, we further present several attribute mappers that encode each image as several image-specific subject-unrelated embeddings. To encourage these unrelated embeddings to capture the irrelevant information, we incorporate them with corresponding attribute words and propose a joint training strategy to facilitate the disentanglement. During inference, we only use the subject embedding for image generation, while selectively using image-specific embeddings to retain image-specified attributes. Extensive experiments demonstrate that the subject embedding obtained by our method can faithfully represent the target concept, while showing superior editability compared to the state-of-the-art methods. Our code will be made published available.

Text-to-3D generation has recently seen significant progress. To enhance its practicality in real-world applications, it is crucial to generate multiple independent objects with interactions, similar to layer-compositing in 2D image editing. However, existing text-to-3D methods struggle with this task, as they are designed to generate either non-independent objects or independent objects lacking spatially plausible interactions. Addressing this, we propose DreamDissector, a text-to-3D method capable of generating multiple independent objects with interactions. DreamDissector accepts a multi-object text-to-3D NeRF as input and produces independent textured meshes. To achieve this, we introduce the Neural Category Field (NeCF) for disentangling the input NeRF. Additionally, we present the Category Score Distillation Sampling (CSDS), facilitated by a Deep Concept Mining (DCM) module, to tackle the concept gap issue in diffusion models. By leveraging NeCF and CSDS, we can effectively derive sub-NeRFs from the original scene. Further refinement enhances geometry and texture. Our experimental results validate the effectiveness of DreamDissector, providing users with novel means to control 3D synthesis at the object level and potentially opening avenues for various creative applications in the future.

Large language models (LLMs) are powerful AI tools that can generate and comprehend natural language text and other complex information. However, the field lacks a mathematical framework to systematically describe, compare and improve LLMs. We propose Hex a framework that clarifies key terms and concepts in LLM research, such as hallucinations, alignment, self-verification and chain-of-thought reasoning. The Hex framework offers a precise and consistent way to characterize LLMs, identify their strengths and weaknesses, and integrate new findings. Using Hex, we differentiate chain-of-thought reasoning from chain-of-thought prompting and establish the conditions under which they are equivalent. This distinction clarifies the basic assumptions behind chain-of-thought prompting and its implications for methods that use it, such as self-verification and prompt programming. Our goal is to provide a formal framework for LLMs that can help both researchers and practitioners explore new possibilities for generative AI. We do not claim to have a definitive solution, but rather a tool for opening up new research avenues. We argue that our formal definitions and results are crucial for advancing the discussion on how to build generative AI systems that are safe, reliable, fair and robust, especially in domains like healthcare and software engineering.

Concept-based interpretability methods aim to explain deep neural network model predictions using a predefined set of semantic concepts. These methods evaluate a trained model on a new, "probe" dataset and correlate model predictions with the visual concepts labeled in that dataset. Despite their popularity, they suffer from limitations that are not well-understood and articulated by the literature. In this work, we analyze three commonly overlooked factors in concept-based explanations. First, the choice of the probe dataset has a profound impact on the generated explanations. Our analysis reveals that different probe datasets may lead to very different explanations, and suggests that the explanations are not generalizable outside the probe dataset. Second, we find that concepts in the probe dataset are often less salient and harder to learn than the classes they claim to explain, calling into question the correctness of the explanations. We argue that only visually salient concepts should be used in concept-based explanations. Finally, while existing methods use hundreds or even thousands of concepts, our human studies reveal a much stricter upper bound of 32 concepts or less, beyond which the explanations are much less practically useful. We make suggestions for future development and analysis of concept-based interpretability methods. Code for our analysis and user interface can be found at https://github.com/princetonvisualai/OverlookedFactors

Diffusion models, which have emerged to become popular text-to-image generation models, can produce high-quality and content-rich images guided by textual prompts. However, there are limitations to semantic understanding and commonsense reasoning in existing models when the input prompts are concise narrative, resulting in low-quality image generation. To improve the capacities for narrative prompts, we propose a simple-yet-effective parameter-efficient fine-tuning approach called the Semantic Understanding and Reasoning adapter (SUR-adapter) for pre-trained diffusion models. To reach this goal, we first collect and annotate a new dataset SURD which consists of more than 57,000 semantically corrected multi-modal samples. Each sample contains a simple narrative prompt, a complex keyword-based prompt, and a high-quality image. Then, we align the semantic representation of narrative prompts to the complex prompts and transfer knowledge of large language models (LLMs) to our SUR-adapter via knowledge distillation so that it can acquire the powerful semantic understanding and reasoning capabilities to build a high-quality textual semantic representation for text-to-image generation. We conduct experiments by integrating multiple LLMs and popular pre-trained diffusion models to show the effectiveness of our approach in enabling diffusion models to understand and reason concise natural language without image quality degradation. Our approach can make text-to-image diffusion models easier to use with better user experience, which demonstrates our approach has the potential for further advancing the development of user-friendly text-to-image generation models by bridging the semantic gap between simple narrative prompts and complex keyword-based prompts.

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models, and explaining predictions made by GNNs remains unsolved. Here we propose GNNExplainer, the first general, model-agnostic approach for providing interpretable explanations for predictions of any GNN-based model on any graph-based machine learning task. Given an instance, GNNExplainer identifies a compact subgraph structure and a small subset of node features that have a crucial role in GNN's prediction. Further, GNNExplainer can generate consistent and concise explanations for an entire class of instances. We formulate GNNExplainer as an optimization task that maximizes the mutual information between a GNN's prediction and distribution of possible subgraph structures. Experiments on synthetic and real-world graphs show that our approach can identify important graph structures as well as node features, and outperforms baselines by 17.1% on average. GNNExplainer provides a variety of benefits, from the ability to visualize semantically relevant structures to interpretability, to giving insights into errors of faulty GNNs.

Text Style Transfer (TST) seeks to alter the style of text while retaining its core content. Given the constraints of limited parallel datasets for TST, we propose CoTeX, a framework that leverages large language models (LLMs) alongside chain-of-thought (CoT) prompting to facilitate TST. CoTeX distills the complex rewriting and reasoning capabilities of LLMs into more streamlined models capable of working with both non-parallel and parallel data. Through experimentation across four TST datasets, CoTeX is shown to surpass traditional supervised fine-tuning and knowledge distillation methods, particularly in low-resource settings. We conduct a comprehensive evaluation, comparing CoTeX against current unsupervised, supervised, in-context learning (ICL) techniques, and instruction-tuned LLMs. Furthermore, CoTeX distinguishes itself by offering transparent explanations for its style transfer process.

This paper presents an unsupervised method to learn a neural network, namely an explainer, to interpret a pre-trained convolutional neural network (CNN), i.e., explaining knowledge representations hidden in middle conv-layers of the CNN. Given feature maps of a certain conv-layer of the CNN, the explainer performs like an auto-encoder, which first disentangles the feature maps into object-part features and then inverts object-part features back to features of higher conv-layers of the CNN. More specifically, the explainer contains interpretable conv-layers, where each filter disentangles the representation of a specific object part from chaotic input feature maps. As a paraphrase of CNN features, the disentangled representations of object parts help people understand the logic inside the CNN. We also learn the explainer to use object-part features to reconstruct features of higher CNN layers, in order to minimize loss of information during the feature disentanglement. More crucially, we learn the explainer via network distillation without using any annotations of sample labels, object parts, or textures for supervision. We have applied our method to different types of CNNs for evaluation, and explainers have significantly boosted the interpretability of CNN features.

Dictionary learning (DL) has emerged as a powerful interpretability tool for large language models. By extracting known concepts (e.g., Golden-Gate Bridge) from human-interpretable data (e.g., text), sparse DL can elucidate a model's inner workings. In this work, we ask if DL can also be used to discover unknown concepts from less human-interpretable scientific data (e.g., cell images), ultimately enabling modern approaches to scientific discovery. As a first step, we use DL algorithms to study microscopy foundation models trained on multi-cell image data, where little prior knowledge exists regarding which high-level concepts should arise. We show that sparse dictionaries indeed extract biologically-meaningful concepts such as cell type and genetic perturbation type. We also propose a new DL algorithm, Iterative Codebook Feature Learning~(ICFL), and combine it with a pre-processing step that uses PCA whitening from a control dataset. In our experiments, we demonstrate that both ICFL and PCA improve the selectivity of extracted features compared to TopK sparse autoencoders.

The concept of deep dictionary learning has been recently proposed. Unlike shallow dictionary learning which learns single level of dictionary to represent the data, it uses multiple layers of dictionaries. So far, the problem could only be solved in a greedy fashion; this was achieved by learning a single layer of dictionary in each stage where the coefficients from the previous layer acted as inputs to the subsequent layer (only the first layer used the training samples as inputs). This was not optimal; there was feedback from shallower to deeper layers but not the other way. This work proposes an optimal solution to deep dictionary learning whereby all the layers of dictionaries are solved simultaneously. We employ the Majorization Minimization approach. Experiments have been carried out on benchmark datasets; it shows that optimal learning indeed improves over greedy piecemeal learning. Comparison with other unsupervised deep learning tools (stacked denoising autoencoder, deep belief network, contractive autoencoder and K-sparse autoencoder) show that our method supersedes their performance both in accuracy and speed.

Deep learning methods are highly accurate, yet their opaque decision process prevents them from earning full human trust. Concept-based models aim to address this issue by learning tasks based on a set of human-understandable concepts. However, state-of-the-art concept-based models rely on high-dimensional concept embedding representations which lack a clear semantic meaning, thus questioning the interpretability of their decision process. To overcome this limitation, we propose the Deep Concept Reasoner (DCR), the first interpretable concept-based model that builds upon concept embeddings. In DCR, neural networks do not make task predictions directly, but they build syntactic rule structures using concept embeddings. DCR then executes these rules on meaningful concept truth degrees to provide a final interpretable and semantically-consistent prediction in a differentiable manner. Our experiments show that DCR: (i) improves up to +25% w.r.t. state-of-the-art interpretable concept-based models on challenging benchmarks (ii) discovers meaningful logic rules matching known ground truths even in the absence of concept supervision during training, and (iii), facilitates the generation of counterfactual examples providing the learnt rules as guidance.

Post-hoc explanation methods have often been criticised for abstracting away the decision-making process of deep neural networks. In this work, we would like to provide natural language descriptions for what different layers of a vision backbone have learned. Our DeViL method decodes vision features into language, not only highlighting the attribution locations but also generating textual descriptions of visual features at different layers of the network. We train a transformer network to translate individual image features of any vision layer into a prompt that a separate off-the-shelf language model decodes into natural language. By employing dropout both per-layer and per-spatial-location, our model can generalize training on image-text pairs to generate localized explanations. As it uses a pre-trained language model, our approach is fast to train, can be applied to any vision backbone, and produces textual descriptions at different layers of the vision network. Moreover, DeViL can create open-vocabulary attribution maps corresponding to words or phrases even outside the training scope of the vision model. We demonstrate that DeViL generates textual descriptions relevant to the image content on CC3M surpassing previous lightweight captioning models and attribution maps uncovering the learned concepts of the vision backbone. Finally, we show DeViL also outperforms the current state-of-the-art on the neuron-wise descriptions of the MILANNOTATIONS dataset. Code available at https://github.com/ExplainableML/DeViL

Faithfully summarizing the knowledge encoded by a deep neural network (DNN) into a few symbolic primitive patterns without losing much information represents a core challenge in explainable AI. To this end, Ren et al. (2023c) have derived a series of theorems to prove that the inference score of a DNN can be explained as a small set of interactions between input variables. However, the lack of generalization power makes it still hard to consider such interactions as faithful primitive patterns encoded by the DNN. Therefore, given different DNNs trained for the same task, we develop a new method to extract interactions that are shared by these DNNs. Experiments show that the extracted interactions can better reflect common knowledge shared by different DNNs.

Diffusion Transformers (DiT) have become a leading architecture in image generation. However, the quadratic complexity of attention mechanisms, which are responsible for modeling token-wise relationships, results in significant latency when generating high-resolution images. To address this issue, we aim at a linear attention mechanism in this paper that reduces the complexity of pre-trained DiTs to linear. We begin our exploration with a comprehensive summary of existing efficient attention mechanisms and identify four key factors crucial for successful linearization of pre-trained DiTs: locality, formulation consistency, high-rank attention maps, and feature integrity. Based on these insights, we introduce a convolution-like local attention strategy termed CLEAR, which limits feature interactions to a local window around each query token, and thus achieves linear complexity. Our experiments indicate that, by fine-tuning the attention layer on merely 10K self-generated samples for 10K iterations, we can effectively transfer knowledge from a pre-trained DiT to a student model with linear complexity, yielding results comparable to the teacher model. Simultaneously, it reduces attention computations by 99.5% and accelerates generation by 6.3 times for generating 8K-resolution images. Furthermore, we investigate favorable properties in the distilled attention layers, such as zero-shot generalization cross various models and plugins, and improved support for multi-GPU parallel inference. Models and codes are available here: https://github.com/Huage001/CLEAR.

Large Language Models (LLMs) are increasingly used as powerful tools for a plethora of natural language processing (NLP) applications. A recent innovation, in-context learning (ICL), enables LLMs to learn new tasks by supplying a few examples in the prompt during inference time, thereby eliminating the need for model fine-tuning. While LLMs have been utilized in several applications, their applicability in explaining the behavior of other models remains relatively unexplored. Despite the growing number of new explanation techniques, many require white-box access to the model and/or are computationally expensive, highlighting a need for next-generation post hoc explainers. In this work, we present the first framework to study the effectiveness of LLMs in explaining other predictive models. More specifically, we propose a novel framework encompassing multiple prompting strategies: i) Perturbation-based ICL, ii) Prediction-based ICL, iii) Instruction-based ICL, and iv) Explanation-based ICL, with varying levels of information about the underlying ML model and the local neighborhood of the test sample. We conduct extensive experiments with real-world benchmark datasets to demonstrate that LLM-generated explanations perform on par with state-of-the-art post hoc explainers using their ability to leverage ICL examples and their internal knowledge in generating model explanations. On average, across four datasets and two ML models, we observe that LLMs identify the most important feature with 72.19% accuracy, opening up new frontiers in explainable artificial intelligence (XAI) to explore LLM-based explanation frameworks.

Latent diffusion models with Transformer architectures excel at generating high-fidelity images. However, recent studies reveal an optimization dilemma in this two-stage design: while increasing the per-token feature dimension in visual tokenizers improves reconstruction quality, it requires substantially larger diffusion models and more training iterations to achieve comparable generation performance. Consequently, existing systems often settle for sub-optimal solutions, either producing visual artifacts due to information loss within tokenizers or failing to converge fully due to expensive computation costs. We argue that this dilemma stems from the inherent difficulty in learning unconstrained high-dimensional latent spaces. To address this, we propose aligning the latent space with pre-trained vision foundation models when training the visual tokenizers. Our proposed VA-VAE (Vision foundation model Aligned Variational AutoEncoder) significantly expands the reconstruction-generation frontier of latent diffusion models, enabling faster convergence of Diffusion Transformers (DiT) in high-dimensional latent spaces. To exploit the full potential of VA-VAE, we build an enhanced DiT baseline with improved training strategies and architecture designs, termed LightningDiT. The integrated system achieves state-of-the-art (SOTA) performance on ImageNet 256x256 generation with an FID score of 1.35 while demonstrating remarkable training efficiency by reaching an FID score of 2.11 in just 64 epochs--representing an over 21 times convergence speedup compared to the original DiT. Models and codes are available at: https://github.com/hustvl/LightningDiT.

We introduce Iterated Integrated Attributions (IIA) - a generic method for explaining the predictions of vision models. IIA employs iterative integration across the input image, the internal representations generated by the model, and their gradients, yielding precise and focused explanation maps. We demonstrate the effectiveness of IIA through comprehensive evaluations across various tasks, datasets, and network architectures. Our results showcase that IIA produces accurate explanation maps, outperforming other state-of-the-art explanation techniques.

A critical problem in the field of post hoc explainability is the lack of a common foundational goal among methods. For example, some methods are motivated by function approximation, some by game theoretic notions, and some by obtaining clean visualizations. This fragmentation of goals causes not only an inconsistent conceptual understanding of explanations but also the practical challenge of not knowing which method to use when. In this work, we begin to address these challenges by unifying eight popular post hoc explanation methods (LIME, C-LIME, KernelSHAP, Occlusion, Vanilla Gradients, Gradients x Input, SmoothGrad, and Integrated Gradients). We show that these methods all perform local function approximation of the black-box model, differing only in the neighbourhood and loss function used to perform the approximation. This unification enables us to (1) state a no free lunch theorem for explanation methods, demonstrating that no method can perform optimally across all neighbourhoods, and (2) provide a guiding principle to choose among methods based on faithfulness to the black-box model. We empirically validate these theoretical results using various real-world datasets, model classes, and prediction tasks. By bringing diverse explanation methods into a common framework, this work (1) advances the conceptual understanding of these methods, revealing their shared local function approximation objective, properties, and relation to one another, and (2) guides the use of these methods in practice, providing a principled approach to choose among methods and paving the way for the creation of new ones.

Deep learning models perform poorly on tasks that require commonsense reasoning, which often necessitates some form of world-knowledge or reasoning over information not immediately present in the input. We collect human explanations for commonsense reasoning in the form of natural language sequences and highlighted annotations in a new dataset called Common Sense Explanations (CoS-E). We use CoS-E to train language models to automatically generate explanations that can be used during training and inference in a novel Commonsense Auto-Generated Explanation (CAGE) framework. CAGE improves the state-of-the-art by 10% on the challenging CommonsenseQA task. We further study commonsense reasoning in DNNs using both human and auto-generated explanations including transfer to out-of-domain tasks. Empirical results indicate that we can effectively leverage language models for commonsense reasoning.

In this paper, we explore the unique modality of sketch for explainability, emphasising the profound impact of human strokes compared to conventional pixel-oriented studies. Beyond explanations of network behavior, we discern the genuine implications of explainability across diverse downstream sketch-related tasks. We propose a lightweight and portable explainability solution -- a seamless plugin that integrates effortlessly with any pre-trained model, eliminating the need for re-training. Demonstrating its adaptability, we present four applications: highly studied retrieval and generation, and completely novel assisted drawing and sketch adversarial attacks. The centrepiece to our solution is a stroke-level attribution map that takes different forms when linked with downstream tasks. By addressing the inherent non-differentiability of rasterisation, we enable explanations at both coarse stroke level (SLA) and partial stroke level (P-SLA), each with its advantages for specific downstream tasks.

The success of recent text-to-image diffusion models is largely due to their capacity to be guided by a complex text prompt, which enables users to precisely describe the desired content. However, these models struggle to effectively suppress the generation of undesired content, which is explicitly requested to be omitted from the generated image in the prompt. In this paper, we analyze how to manipulate the text embeddings and remove unwanted content from them. We introduce two contributions, which we refer to as soft-weighted regularization and inference-time text embedding optimization. The first regularizes the text embedding matrix and effectively suppresses the undesired content. The second method aims to further suppress the unwanted content generation of the prompt, and encourages the generation of desired content. We evaluate our method quantitatively and qualitatively on extensive experiments, validating its effectiveness. Furthermore, our method is generalizability to both the pixel-space diffusion models (i.e. DeepFloyd-IF) and the latent-space diffusion models (i.e. Stable Diffusion).

Large Language Models (LLMs) prompted to generate chain-of-thought (CoT) exhibit impressive reasoning capabilities. Recent attempts at prompt decomposition toward solving complex, multi-step reasoning problems depend on the ability of the LLM to simultaneously decompose and solve the problem. A significant disadvantage is that foundational LLMs are typically not available for fine-tuning, making adaptation computationally prohibitive. We believe (and demonstrate) that problem decomposition and solution generation are distinct capabilites, better addressed in separate modules, than by one monolithic LLM. We introduce DaSLaM, which uses a decomposition generator to decompose complex problems into subproblems that require fewer reasoning steps. These subproblems are answered by a solver. We use a relatively small (13B parameters) LM as the decomposition generator, which we train using policy gradient optimization to interact with a solver LM (regarded as black-box) and guide it through subproblems, thereby rendering our method solver-agnostic. Evaluation on multiple different reasoning datasets reveal that with our method, a 175 billion parameter LM (text-davinci-003) can produce competitive or even better performance, compared to its orders-of-magnitude larger successor, GPT-4. Additionally, we show that DaSLaM is not limited by the solver's capabilities as a function of scale; e.g., solver LMs with diverse sizes give significant performance improvement with our solver-agnostic decomposition technique. Exhaustive ablation studies evince the superiority of our modular finetuning technique over exorbitantly large decomposer LLMs, based on prompting alone.

DIFF Transformer addresses the issue of irrelevant context interference by introducing a differential attention mechanism that enhances the robustness of local attention. However, it has two critical limitations: the lack of global context modeling, which is essential for identifying globally significant tokens, and numerical instability due to the absence of strict row normalization in the attention matrix. To overcome these challenges, we propose DINT Transformer, which extends DIFF Transformer by incorporating a differential-integral mechanism. By computing global importance scores and integrating them into the attention matrix, DINT Transformer improves its ability to capture global dependencies. Moreover, the unified parameter design enforces row-normalized attention matrices, improving numerical stability. Experimental results demonstrate that DINT Transformer excels in accuracy and robustness across various practical applications, such as long-context language modeling and key information retrieval. These results position DINT Transformer as a highly effective and promising architecture.

We present that hierarchical LLM reasoning via scaling thought templates can effectively optimize the reasoning search space and outperform the mathematical reasoning capabilities of powerful LLMs like OpenAI o1-preview and DeepSeek V3. We train our ReasonFlux-32B model with only 8 GPUs and introduces three innovations: (i) a structured and generic thought template library, containing around 500 high-level thought templates capable of generalizing to similar or relevant reasoning problems; (ii) performing hierarchical reinforcement learning on a sequence of thought templates instead of long CoTs, optimizing a base LLM to plan out an optimal template trajectory for gradually handling complex problems; (iii) a brand new inference scaling system that enables hierarchical LLM reasoning by adaptively scaling thought templates at inference time. With a template trajectory containing sequential thought templates, our ReasonFlux-32B significantly advances math reasoning capabilities to state-of-the-art levels. Notably, on the MATH benchmark, it achieves an accuracy of 91.2% and surpasses o1-preview by 6.7%. On the USA Math Olympiad (AIME) benchmark, ReasonFlux-32B solves an average of 56.7% of problems, surpassing o1-preview and DeepSeek-V3 by 27% and 45%, respectively. Code: https://github.com/Gen-Verse/ReasonFlux

Diffusion Transformers (DiT) have emerged as powerful generative models for various tasks, including image, video, and speech synthesis. However, their inference process remains computationally expensive due to the repeated evaluation of resource-intensive attention and feed-forward modules. To address this, we introduce SmoothCache, a model-agnostic inference acceleration technique for DiT architectures. SmoothCache leverages the observed high similarity between layer outputs across adjacent diffusion timesteps. By analyzing layer-wise representation errors from a small calibration set, SmoothCache adaptively caches and reuses key features during inference. Our experiments demonstrate that SmoothCache achieves 8% to 71% speed up while maintaining or even improving generation quality across diverse modalities. We showcase its effectiveness on DiT-XL for image generation, Open-Sora for text-to-video, and Stable Audio Open for text-to-audio, highlighting its potential to enable real-time applications and broaden the accessibility of powerful DiT models.

Deep models that are both effective and explainable are desirable in many settings; prior explainable models have been unimodal, offering either image-based visualization of attention weights or text-based generation of post-hoc justifications. We propose a multimodal approach to explanation, and argue that the two modalities provide complementary explanatory strengths. We collect two new datasets to define and evaluate this task, and propose a novel model which can provide joint textual rationale generation and attention visualization. Our datasets define visual and textual justifications of a classification decision for activity recognition tasks (ACT-X) and for visual question answering tasks (VQA-X). We quantitatively show that training with the textual explanations not only yields better textual justification models, but also better localizes the evidence that supports the decision. We also qualitatively show cases where visual explanation is more insightful than textual explanation, and vice versa, supporting our thesis that multimodal explanation models offer significant benefits over unimodal approaches.

Given the complexity and lack of transparency in deep neural networks (DNNs), extensive efforts have been made to make these systems more interpretable or explain their behaviors in accessible terms. Unlike most reviews, which focus on algorithmic and model-centric perspectives, this work takes a "data-centric" view, examining how data collection, processing, and analysis contribute to explainable AI (XAI). We categorize existing work into three categories subject to their purposes: interpretations of deep models, referring to feature attributions and reasoning processes that correlate data points with model outputs; influences of training data, examining the impact of training data nuances, such as data valuation and sample anomalies, on decision-making processes; and insights of domain knowledge, discovering latent patterns and fostering new knowledge from data and models to advance social values and scientific discovery. Specifically, we distill XAI methodologies into data mining operations on training and testing data across modalities, such as images, text, and tabular data, as well as on training logs, checkpoints, models and other DNN behavior descriptors. In this way, our study offers a comprehensive, data-centric examination of XAI from a lens of data mining methods and applications.

Despite the success of Large Language Models (LLMs) in general image tasks, a gap persists in the medical field for a multimodal large model adept at handling the nuanced diversity of medical images. Addressing this, we propose MedXChat, a unified multimodal large model designed for seamless interactions between medical assistants and users. MedXChat encompasses three key functionalities: CXR(Chest X-ray)-to-Report generation, CXR-based visual question-answering (VQA), and Text-to-CXR synthesis. Our contributions are as follows. Firstly, our model showcases exceptional cross-task adaptability, displaying adeptness across all three defined tasks and outperforming the benchmark models on the MIMIC dataset in medical multimodal applications. Secondly, we introduce an innovative Text-to-CXR synthesis approach that utilizes instruction-following capabilities within the Stable Diffusion (SD) architecture. This technique integrates smoothly with the existing model framework, requiring no extra parameters, thereby maintaining the SD's generative strength while also bestowing upon it the capacity to render fine-grained medical images with high fidelity. Comprehensive experiments validate MedXChat's synergistic enhancement across all tasks. Our instruction data and model will be open-sourced.

Large Language Models (LLMs) have revolutionized natural language processing, but their application to speech-based tasks remains challenging due to the complexities of integrating audio and text modalities. This paper introduces Ichigo, a mixed-modal model that seamlessly processes interleaved sequences of speech and text. Utilizing a tokenized early-fusion approach, Ichigo quantizes speech into discrete tokens and employs a uniform transformer-based architecture for both speech and text modalities. This method enables joint reasoning and generation across modalities without the need for separate adapters. We present a comprehensive training methodology, including pre-training on multilingual speech recognition datasets and fine-tuning on a curated instruction dataset. Ichigo demonstrates state-of-the-art performance on speech question-answering benchmarks, outperforming existing open-source speech language models and achieving comparable results to cascaded systems. Notably, Ichigo exhibits a latency of just 111 ms to first token generation, significantly lower than current models. Our approach not only advances the field of multimodal AI but also provides a framework for smaller research teams to contribute effectively to open-source speech-language models.

Generating explanations for neural networks has become crucial for their applications in real-world with respect to reliability and trustworthiness. In natural language processing, existing methods usually provide important features which are words or phrases selected from an input text as an explanation, but ignore the interactions between them. It poses challenges for humans to interpret an explanation and connect it to model prediction. In this work, we build hierarchical explanations by detecting feature interactions. Such explanations visualize how words and phrases are combined at different levels of the hierarchy, which can help users understand the decision-making of black-box models. The proposed method is evaluated with three neural text classifiers (LSTM, CNN, and BERT) on two benchmark datasets, via both automatic and human evaluations. Experiments show the effectiveness of the proposed method in providing explanations that are both faithful to models and interpretable to humans.

Natural language explanations (NLEs) are commonly used to provide plausible free-text explanations of a model's reasoning about its predictions. However, recent work has questioned the faithfulness of NLEs, as they may not accurately reflect the model's internal reasoning process regarding its predicted answer. In contrast, highlight explanations -- input fragments identified as critical for the model's predictions -- exhibit measurable faithfulness, which has been incrementally improved through existing research. Building on this foundation, we propose G-Tex, a Graph-Guided Textual Explanation Generation framework designed to enhance the faithfulness of NLEs by leveraging highlight explanations. Specifically, highlight explanations are extracted as highly faithful cues representing the model's reasoning and are subsequently encoded through a graph neural network layer, which explicitly guides the NLE generation process. This alignment ensures that the generated explanations closely reflect the model's underlying reasoning. Experiments on T5 and BART using three reasoning datasets show that G-Tex improves NLE faithfulness by up to 17.59% compared to baseline methods. Additionally, G-Tex generates NLEs with greater semantic and lexical similarity to human-written ones. Human evaluations show that G-Tex can decrease redundant content and enhance the overall quality of NLEs. As our work introduces a novel method for explicitly guiding NLE generation to improve faithfulness, we hope it will serve as a stepping stone for addressing additional criteria for NLE and generated text overall.

Diffusion Transformers (DiT) deliver impressive generative performance but face prohibitive computational demands due to both the quadratic complexity of token-based self-attention and the need for extensive sampling steps. While recent research has focused on accelerating sampling, the structural inefficiencies of DiT remain underexplored. We propose FlexDiT, a framework that dynamically adapts token density across both spatial and temporal dimensions to achieve computational efficiency without compromising generation quality. Spatially, FlexDiT employs a three-segment architecture that allocates token density based on feature requirements at each layer: Poolingformer in the bottom layers for efficient global feature extraction, Sparse-Dense Token Modules (SDTM) in the middle layers to balance global context with local detail, and dense tokens in the top layers to refine high-frequency details. Temporally, FlexDiT dynamically modulates token density across denoising stages, progressively increasing token count as finer details emerge in later timesteps. This synergy between FlexDiT's spatially adaptive architecture and its temporal pruning strategy enables a unified framework that balances efficiency and fidelity throughout the generation process. Our experiments demonstrate FlexDiT's effectiveness, achieving a 55% reduction in FLOPs and a 175% improvement in inference speed on DiT-XL with only a 0.09 increase in FID score on 512times512 ImageNet images, a 56% reduction in FLOPs across video generation datasets including FaceForensics, SkyTimelapse, UCF101, and Taichi-HD, and a 69% improvement in inference speed on PixArt-alpha on text-to-image generation task with a 0.24 FID score decrease. FlexDiT provides a scalable solution for high-quality diffusion-based generation compatible with further sampling optimization techniques.

We introduce X-Adapter, a universal upgrader to enable the pretrained plug-and-play modules (e.g., ControlNet, LoRA) to work directly with the upgraded text-to-image diffusion model (e.g., SDXL) without further retraining. We achieve this goal by training an additional network to control the frozen upgraded model with the new text-image data pairs. In detail, X-Adapter keeps a frozen copy of the old model to preserve the connectors of different plugins. Additionally, X-Adapter adds trainable mapping layers that bridge the decoders from models of different versions for feature remapping. The remapped features will be used as guidance for the upgraded model. To enhance the guidance ability of X-Adapter, we employ a null-text training strategy for the upgraded model. After training, we also introduce a two-stage denoising strategy to align the initial latents of X-Adapter and the upgraded model. Thanks to our strategies, X-Adapter demonstrates universal compatibility with various plugins and also enables plugins of different versions to work together, thereby expanding the functionalities of diffusion community. To verify the effectiveness of the proposed method, we conduct extensive experiments and the results show that X-Adapter may facilitate wider application in the upgraded foundational diffusion model.

Stable Diffusion XL (SDXL) has become the best open source text-to-image model (T2I) for its versatility and top-notch image quality. Efficiently addressing the computational demands of SDXL models is crucial for wider reach and applicability. In this work, we introduce two scaled-down variants, Segmind Stable Diffusion (SSD-1B) and Segmind-Vega, with 1.3B and 0.74B parameter UNets, respectively, achieved through progressive removal using layer-level losses focusing on reducing the model size while preserving generative quality. We release these models weights at https://hf.co/Segmind. Our methodology involves the elimination of residual networks and transformer blocks from the U-Net structure of SDXL, resulting in significant reductions in parameters, and latency. Our compact models effectively emulate the original SDXL by capitalizing on transferred knowledge, achieving competitive results against larger multi-billion parameter SDXL. Our work underscores the efficacy of knowledge distillation coupled with layer-level losses in reducing model size while preserving the high-quality generative capabilities of SDXL, thus facilitating more accessible deployment in resource-constrained environments.

Interpretability and explainability of deep neural networks are challenging due to their scale, complexity, and the agreeable notions on which the explaining process rests. Previous work, in particular, has focused on representing internal components of neural networks through human-friendly visuals and concepts. On the other hand, in real life, when making a decision, human tends to rely on similar situations and/or associations in the past. Hence arguably, a promising approach to make the model transparent is to design it in a way such that the model explicitly connects the current sample with the seen ones, and bases its decision on these samples. Grounded on that principle, we propose in this paper an explainable, evidence-based memory network architecture, which learns to summarize the dataset and extract supporting evidences to make its decision. Our model achieves state-of-the-art performance on two popular question answering datasets (i.e. TrecQA and WikiQA). Via further analysis, we show that this model can reliably trace the errors it has made in the validation step to the training instances that might have caused these errors. We believe that this error-tracing capability provides significant benefit in improving dataset quality in many applications.

Many methods now exist for conditioning model outputs on task instructions, retrieved documents, and user-provided explanations and feedback. Rather than relying solely on examples of task inputs and outputs, these approaches use valuable additional data for improving model correctness and aligning learned models with human priors. Meanwhile, a growing body of evidence suggests that some language models can (1) store a large amount of knowledge in their parameters, and (2) perform inference over tasks in textual inputs at test time. These results raise the possibility that, for some tasks, humans cannot explain to a model any more about the task than it already knows or could infer on its own. In this paper, we study the circumstances under which explanations of individual data points can (or cannot) improve modeling performance. In order to carefully control important properties of the data and explanations, we introduce a synthetic dataset for experiments, and we also make use of three existing datasets with explanations: e-SNLI, TACRED, and SemEval. We first give a formal framework for the available modeling approaches, in which explanation data can be used as model inputs, as targets, or as a prior. After arguing that the most promising role for explanation data is as model inputs, we propose to use a retrieval-based method and show that it solves our synthetic task with accuracies upwards of 95%, while baselines without explanation data achieve below 65% accuracy. We then identify properties of datasets for which retrieval-based modeling fails. With the three existing datasets, we find no improvements from explanation retrieval. Drawing on findings from our synthetic task, we suggest that at least one of six preconditions for successful modeling fails to hold with these datasets. Our code is publicly available at https://github.com/peterbhase/ExplanationRoles

Large pre-trained Vision-Language Models (VLMs) have become ubiquitous foundational components of other models and downstream tasks. Although powerful, our empirical results reveal that such models might not be able to identify fine-grained concepts. Specifically, the explanations of VLMs with respect to fine-grained concepts are entangled and mislocalized. To address this issue, we propose to DisEntAngle and Localize (DEAL) the concept-level explanations for VLMs without human annotations. The key idea is encouraging the concept-level explanations to be distinct while maintaining consistency with category-level explanations. We conduct extensive experiments and ablation studies on a wide range of benchmark datasets and vision-language models. Our empirical results demonstrate that the proposed method significantly improves the concept-level explanations of the model in terms of disentanglability and localizability. Surprisingly, the improved explainability alleviates the model's reliance on spurious correlations, which further benefits the prediction accuracy.

Text-to-image (T2I) generative models have attracted significant attention and found extensive applications within and beyond academic research. For example, the Civitai community, a platform for T2I innovation, currently hosts an impressive array of 74,492 distinct models. However, this diversity presents a formidable challenge in selecting the most appropriate model and parameters, a process that typically requires numerous trials. Drawing inspiration from the tool usage research of large language models (LLMs), we introduce DiffAgent, an LLM agent designed to screen the accurate selection in seconds via API calls. DiffAgent leverages a novel two-stage training framework, SFTA, enabling it to accurately align T2I API responses with user input in accordance with human preferences. To train and evaluate DiffAgent's capabilities, we present DABench, a comprehensive dataset encompassing an extensive range of T2I APIs from the community. Our evaluations reveal that DiffAgent not only excels in identifying the appropriate T2I API but also underscores the effectiveness of the SFTA training framework. Codes are available at https://github.com/OpenGVLab/DiffAgent.

We introduce Explanatory Learning (EL), a framework to let machines use existing knowledge buried in symbolic sequences -- e.g. explanations written in hieroglyphic -- by autonomously learning to interpret them. In EL, the burden of interpreting symbols is not left to humans or rigid human-coded compilers, as done in Program Synthesis. Rather, EL calls for a learned interpreter, built upon a limited collection of symbolic sequences paired with observations of several phenomena. This interpreter can be used to make predictions on a novel phenomenon given its explanation, and even to find that explanation using only a handful of observations, like human scientists do. We formulate the EL problem as a simple binary classification task, so that common end-to-end approaches aligned with the dominant empiricist view of machine learning could, in principle, solve it. To these models, we oppose Critical Rationalist Networks (CRNs), which instead embrace a rationalist view on the acquisition of knowledge. CRNs express several desired properties by construction, they are truly explainable, can adjust their processing at test-time for harder inferences, and can offer strong confidence guarantees on their predictions. As a final contribution, we introduce Odeen, a basic EL environment that simulates a small flatland-style universe full of phenomena to explain. Using Odeen as a testbed, we show how CRNs outperform empiricist end-to-end approaches of similar size and architecture (Transformers) in discovering explanations for novel phenomena.

It has long been assumed that the sheer number of parameters in large language models (LLMs) drives in-context learning (ICL) capabilities, enabling remarkable performance improvements by leveraging task-specific demonstrations. Challenging this hypothesis, we introduce DEEP-ICL, a novel task Definition Enriched ExPert Ensembling methodology for ICL. DEEP-ICL explicitly extracts task definitions from given demonstrations and generates responses through learning task-specific examples. We argue that improvement from ICL does not directly rely on model size, but essentially stems from understanding task definitions and task-guided learning. Inspired by this, DEEP-ICL combines two 3B models with distinct roles (one for concluding task definitions and the other for learning task demonstrations) and achieves comparable performance to LLaMA2-13B. Furthermore, our framework outperforms conventional ICL by overcoming pretraining sequence length limitations, by supporting unlimited demonstrations. We contend that DEEP-ICL presents a novel alternative for achieving efficient few-shot learning, extending beyond the conventional ICL.

We propose a diffusion distillation method that achieves new state-of-the-art in one-step/few-step 1024px text-to-image generation based on SDXL. Our method combines progressive and adversarial distillation to achieve a balance between quality and mode coverage. In this paper, we discuss the theoretical analysis, discriminator design, model formulation, and training techniques. We open-source our distilled SDXL-Lightning models both as LoRA and full UNet weights.

Lumina-T2X is a nascent family of Flow-based Large Diffusion Transformers that establishes a unified framework for transforming noise into various modalities, such as images and videos, conditioned on text instructions. Despite its promising capabilities, Lumina-T2X still encounters challenges including training instability, slow inference, and extrapolation artifacts. In this paper, we present Lumina-Next, an improved version of Lumina-T2X, showcasing stronger generation performance with increased training and inference efficiency. We begin with a comprehensive analysis of the Flag-DiT architecture and identify several suboptimal components, which we address by introducing the Next-DiT architecture with 3D RoPE and sandwich normalizations. To enable better resolution extrapolation, we thoroughly compare different context extrapolation methods applied to text-to-image generation with 3D RoPE, and propose Frequency- and Time-Aware Scaled RoPE tailored for diffusion transformers. Additionally, we introduced a sigmoid time discretization schedule to reduce sampling steps in solving the Flow ODE and the Context Drop method to merge redundant visual tokens for faster network evaluation, effectively boosting the overall sampling speed. Thanks to these improvements, Lumina-Next not only improves the quality and efficiency of basic text-to-image generation but also demonstrates superior resolution extrapolation capabilities and multilingual generation using decoder-based LLMs as the text encoder, all in a zero-shot manner. To further validate Lumina-Next as a versatile generative framework, we instantiate it on diverse tasks including visual recognition, multi-view, audio, music, and point cloud generation, showcasing strong performance across these domains. By releasing all codes and model weights, we aim to advance the development of next-generation generative AI capable of universal modeling.

Knowledge Distillation (KD) compresses computationally expensive pre-trained language models (PLMs) by transferring their knowledge to smaller models, allowing their use in resource-constrained or real-time settings. However, most smaller models fail to surpass the performance of the original larger model, resulting in sacrificing performance to improve inference speed. To address this issue, we propose Co-Training and Co-Distillation (CTCD), a novel framework that improves performance and inference speed together by co-training two models while mutually distilling knowledge. The CTCD framework successfully achieves this based on two significant findings: 1) Distilling knowledge from the smaller model to the larger model during co-training improves the performance of the larger model. 2) The enhanced performance of the larger model further boosts the performance of the smaller model. The CTCD framework shows promise as it can be combined with existing techniques like architecture design or data augmentation, replacing one-way KD methods, to achieve further performance improvement. Extensive ablation studies demonstrate the effectiveness of CTCD, and the small model distilled by CTCD outperforms the original larger model by a significant margin of 1.66 on the GLUE benchmark.

Interpretable machine learning has exploded as an area of interest over the last decade, sparked by the rise of increasingly large datasets and deep neural networks. Simultaneously, large language models (LLMs) have demonstrated remarkable capabilities across a wide array of tasks, offering a chance to rethink opportunities in interpretable machine learning. Notably, the capability to explain in natural language allows LLMs to expand the scale and complexity of patterns that can be given to a human. However, these new capabilities raise new challenges, such as hallucinated explanations and immense computational costs. In this position paper, we start by reviewing existing methods to evaluate the emerging field of LLM interpretation (both interpreting LLMs and using LLMs for explanation). We contend that, despite their limitations, LLMs hold the opportunity to redefine interpretability with a more ambitious scope across many applications, including in auditing LLMs themselves. We highlight two emerging research priorities for LLM interpretation: using LLMs to directly analyze new datasets and to generate interactive explanations.

Large language models (LLMs) have exhibited remarkable capabilities in learning from explanations in prompts, but there has been limited understanding of exactly how these explanations function or why they are effective. This work aims to better understand the mechanisms by which explanations are used for in-context learning. We first study the impact of two different factors on the performance of prompts with explanations: the computation trace (the way the solution is decomposed) and the natural language used to express the prompt. By perturbing explanations on three controlled tasks, we show that both factors contribute to the effectiveness of explanations. We further study how to form maximally effective sets of explanations for solving a given test query. We find that LLMs can benefit from the complementarity of the explanation set: diverse reasoning skills shown by different exemplars can lead to better performance. Therefore, we propose a maximal marginal relevance-based exemplar selection approach for constructing exemplar sets that are both relevant as well as complementary, which successfully improves the in-context learning performance across three real-world tasks on multiple LLMs.

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent representations when we train a GNN in a supervised setting, then we apply symbolic regression to components of the learned model to extract explicit physical relations. We find the correct known equations, including force laws and Hamiltonians, can be extracted from the neural network. We then apply our method to a non-trivial cosmology example-a detailed dark matter simulation-and discover a new analytic formula which can predict the concentration of dark matter from the mass distribution of nearby cosmic structures. The symbolic expressions extracted from the GNN using our technique also generalized to out-of-distribution data better than the GNN itself. Our approach offers alternative directions for interpreting neural networks and discovering novel physical principles from the representations they learn.

To correctly use in-context information, language models (LMs) must bind entities to their attributes. For example, given a context describing a "green square" and a "blue circle", LMs must bind the shapes to their respective colors. We analyze LM representations and identify the binding ID mechanism: a general mechanism for solving the binding problem, which we observe in every sufficiently large model from the Pythia and LLaMA families. Using causal interventions, we show that LMs' internal activations represent binding information by attaching binding ID vectors to corresponding entities and attributes. We further show that binding ID vectors form a continuous subspace, in which distances between binding ID vectors reflect their discernability. Overall, our results uncover interpretable strategies in LMs for representing symbolic knowledge in-context, providing a step towards understanding general in-context reasoning in large-scale LMs.

The greatest ambition of mechanistic interpretability is to completely rewrite deep neural networks in a format that is more amenable to human understanding, while preserving their behavior and performance. In this paper, we attempt to partially rewrite a large language model using simple natural language explanations. We first approximate one of the feedforward networks in the LLM with a wider MLP with sparsely activating neurons - a transcoder - and use an automated interpretability pipeline to generate explanations for these neurons. We then replace the first layer of this sparse MLP with an LLM-based simulator, which predicts the activation of each neuron given its explanation and the surrounding context. Finally, we measure the degree to which these modifications distort the model's final output. With our pipeline, the model's increase in loss is statistically similar to entirely replacing the sparse MLP output with the zero vector. We employ the same protocol, this time using a sparse autoencoder, on the residual stream of the same layer and obtain similar results. These results suggest that more detailed explanations are needed to improve performance substantially above the zero ablation baseline.

Diffusion-based generative models' impressive ability to create convincing images has captured global attention. However, their complex internal structures and operations often make them difficult for non-experts to understand. We present Diffusion Explainer, the first interactive visualization tool that explains how Stable Diffusion transforms text prompts into images. Diffusion Explainer tightly integrates a visual overview of Stable Diffusion's complex components with detailed explanations of their underlying operations, enabling users to fluidly transition between multiple levels of abstraction through animations and interactive elements. By comparing the evolutions of image representations guided by two related text prompts over refinement timesteps, users can discover the impact of prompts on image generation. Diffusion Explainer runs locally in users' web browsers without the need for installation or specialized hardware, broadening the public's education access to modern AI techniques. Our open-sourced tool is available at: https://poloclub.github.io/diffusion-explainer/.

Self-consistency-based approaches, which involve repeatedly sampling multiple outputs and selecting the most consistent one as the final response, prove to be remarkably effective in improving the factual accuracy of large language models. Nonetheless, existing methods usually have strict constraints on the task format, largely limiting their applicability. In this paper, we present Integrative Decoding (ID), to unlock the potential of self-consistency in open-ended generation tasks. ID operates by constructing a set of inputs, each prepended with a previously sampled response, and then processes them concurrently, with the next token being selected by aggregating of all their corresponding predictions at each decoding step. In essence, this simple approach implicitly incorporates self-consistency in the decoding objective. Extensive evaluation shows that ID consistently enhances factuality over a wide range of language models, with substantial improvements on the TruthfulQA (+11.2%), Biographies (+15.4%) and LongFact (+8.5%) benchmarks. The performance gains amplify progressively as the number of sampled responses increases, indicating the potential of ID to scale up with repeated sampling.

Large Language Models (LLMs) often do not perform well on queries that require the aggregation of information across texts. To better evaluate this setting and facilitate modeling efforts, we introduce TACT - Text And Calculations through Tables, a dataset crafted to evaluate LLMs' reasoning and computational abilities using complex instructions. TACT contains challenging instructions that demand stitching information scattered across one or more texts, and performing complex integration on this information to generate the answer. We construct this dataset by leveraging an existing dataset of texts and their associated tables. For each such tables, we formulate new queries, and gather their respective answers. We demonstrate that all contemporary LLMs perform poorly on this dataset, achieving an accuracy below 38\%. To pinpoint the difficulties and thoroughly dissect the problem, we analyze model performance across three components: table-generation, Pandas command-generation, and execution. Unexpectedly, we discover that each component presents substantial challenges for current LLMs. These insights lead us to propose a focused modeling framework, which we refer to as IE as a tool. Specifically, we propose to add "tools" for each of the above steps, and implement each such tool with few-shot prompting. This approach shows an improvement over existing prompting techniques, offering a promising direction for enhancing model capabilities in these tasks.

Large language models (LLMs) have shown remarkable capabilities in various natural language understanding tasks. With only a few demonstration examples, these LLMs can quickly adapt to target tasks without expensive gradient updates. Common strategies to boost such 'in-context' learning ability are to ensemble multiple model decoded results and require the model to generate an explanation along with the prediction. However, these models often treat different class predictions equally and neglect the potential discrepancy between the explanations and predictions. To fully unleash the power of explanations, we propose EASE, an Explanation-Aware Soft Ensemble framework to empower in-context learning with LLMs. We design two techniques, explanation-guided ensemble, and soft probability aggregation, to mitigate the effect of unreliable explanations and improve the consistency between explanations and final predictions. Experiments on seven natural language understanding tasks and four varying-size LLMs demonstrate the effectiveness of our proposed framework.

Visual metaphors are powerful rhetorical devices used to persuade or communicate creative ideas through images. Similar to linguistic metaphors, they convey meaning implicitly through symbolism and juxtaposition of the symbols. We propose a new task of generating visual metaphors from linguistic metaphors. This is a challenging task for diffusion-based text-to-image models, such as DALLcdotE 2, since it requires the ability to model implicit meaning and compositionality. We propose to solve the task through the collaboration between Large Language Models (LLMs) and Diffusion Models: Instruct GPT-3 (davinci-002) with Chain-of-Thought prompting generates text that represents a visual elaboration of the linguistic metaphor containing the implicit meaning and relevant objects, which is then used as input to the diffusion-based text-to-image models.Using a human-AI collaboration framework, where humans interact both with the LLM and the top-performing diffusion model, we create a high-quality dataset containing 6,476 visual metaphors for 1,540 linguistic metaphors and their associated visual elaborations. Evaluation by professional illustrators shows the promise of LLM-Diffusion Model collaboration for this task . To evaluate the utility of our Human-AI collaboration framework and the quality of our dataset, we perform both an intrinsic human-based evaluation and an extrinsic evaluation using visual entailment as a downstream task.

Large language models (LLMs) exhibit impressive emergent abilities in natural language processing, but their democratization is hindered due to huge computation requirements and closed-source nature. Recent research on advancing open-source smaller LMs by distilling knowledge from black-box LLMs has obtained promising results in the instruction-following ability. However, the reasoning ability which is more challenging to foster, is relatively rarely explored. In this paper, we propose a tailored learning approach to distill such reasoning ability to smaller LMs to facilitate the democratization of the exclusive reasoning ability. In contrast to merely employing LLM as a data annotator, we exploit the potential of LLM as a reasoning teacher by building an interactive multi-round learning paradigm. This paradigm enables the student to expose its deficiencies to the black-box teacher who then can provide customized training data in return. Further, to exploit the reasoning potential of the smaller LM, we propose self-reflection learning to motivate the student to learn from self-made mistakes. The learning from self-reflection and LLM are all tailored to the student's learning status, thanks to the seamless integration with the multi-round learning paradigm. Comprehensive experiments and analysis on mathematical and commonsense reasoning tasks demonstrate the effectiveness of our method. The code will be available at https://github.com/Raibows/Learn-to-Reason.

Large language models (LLMs) have demonstrated remarkable prediction performance for a growing array of tasks. However, their rapid proliferation and increasing opaqueness have created a growing need for interpretability. Here, we ask whether we can automatically obtain natural language explanations for black box text modules. A "text module" is any function that maps text to a scalar continuous value, such as a submodule within an LLM or a fitted model of a brain region. "Black box" indicates that we only have access to the module's inputs/outputs. We introduce Summarize and Score (SASC), a method that takes in a text module and returns a natural language explanation of the module's selectivity along with a score for how reliable the explanation is. We study SASC in 3 contexts. First, we evaluate SASC on synthetic modules and find that it often recovers ground truth explanations. Second, we use SASC to explain modules found within a pre-trained BERT model, enabling inspection of the model's internals. Finally, we show that SASC can generate explanations for the response of individual fMRI voxels to language stimuli, with potential applications to fine-grained brain mapping. All code for using SASC and reproducing results is made available on Github.

In the era of Large Language Models (LLMs), tremendous strides have been made in the field of multimodal understanding. However, existing advanced algorithms are limited to effectively utilizing the immense representation capabilities and rich world knowledge inherent to these large pre-trained models, and the beneficial connections among tasks within the context of text-rich scenarios have not been sufficiently explored. In this work, we introduce UniDoc, a novel multimodal model equipped with text detection and recognition capabilities, which are deficient in existing approaches. Moreover, UniDoc capitalizes on the beneficial interactions among tasks to enhance the performance of each individual task. To implement UniDoc, we perform unified multimodal instruct tuning on the contributed large-scale instruction following datasets. Quantitative and qualitative experimental results show that UniDoc sets state-of-the-art scores across multiple challenging benchmarks. To the best of our knowledge, this is the first large multimodal model capable of simultaneous text detection, recognition, spotting, and understanding.

Automated multi-label chest X-rays (CXR) image classification has achieved substantial progress in clinical diagnosis via utilizing sophisticated deep learning approaches. However, most deep models have high computational demands, which makes them less feasible for compact devices with low computational requirements. To overcome this problem, we propose a knowledge distillation (KD) strategy to create the compact deep learning model for the real-time multi-label CXR image classification. We study different alternatives of CNNs and Transforms as the teacher to distill the knowledge to a smaller student. Then, we employed explainable artificial intelligence (XAI) to provide the visual explanation for the model decision improved by the KD. Our results on three benchmark CXR datasets show that our KD strategy provides the improved performance on the compact student model, thus being the feasible choice for many limited hardware platforms. For instance, when using DenseNet161 as the teacher network, EEEA-Net-C2 achieved an AUC of 83.7%, 87.1%, and 88.7% on the ChestX-ray14, CheXpert, and PadChest datasets, respectively, with fewer parameters of 4.7 million and computational cost of 0.3 billion FLOPS.

Concept-based explanations have emerged as a popular way of extracting human-interpretable representations from deep discriminative models. At the same time, the disentanglement learning literature has focused on extracting similar representations in an unsupervised or weakly-supervised way, using deep generative models. Despite the overlapping goals and potential synergies, to our knowledge, there has not yet been a systematic comparison of the limitations and trade-offs between concept-based explanations and disentanglement approaches. In this paper, we give an overview of these fields, comparing and contrasting their properties and behaviours on a diverse set of tasks, and highlighting their potential strengths and limitations. In particular, we demonstrate that state-of-the-art approaches from both classes can be data inefficient, sensitive to the specific nature of the classification/regression task, or sensitive to the employed concept representation.

We propose a straightforward approach called Distillation Contrastive Decoding (DCD) to enhance the reasoning capabilities of Large Language Models (LLMs) during inference. In contrast to previous approaches that relied on smaller amateur models or analysis of hidden state differences, DCD employs Contrastive Chain-of-thought Prompting and advanced distillation techniques, including Dropout and Quantization. This approach effectively addresses the limitations of Contrastive Decoding (CD), which typically requires both an expert and an amateur model, thus increasing computational resource demands. By integrating contrastive prompts with distillation, DCD obviates the need for an amateur model and reduces memory usage. Our evaluations demonstrate that DCD significantly enhances LLM performance across a range of reasoning benchmarks, surpassing both CD and existing methods in the GSM8K and StrategyQA datasets.

Predicting high-dimensional or extreme multilabels, such as in medical coding, requires both accuracy and interpretability. Existing works often rely on local interpretability methods, failing to provide comprehensive explanations of the overall mechanism behind each label prediction within a multilabel set. We propose a mechanistic interpretability module called DIctionary Label Attention (\method) that disentangles uninterpretable dense embeddings into a sparse embedding space, where each nonzero element (a dictionary feature) represents a globally learned medical concept. Through human evaluations, we show that our sparse embeddings are more human understandable than its dense counterparts by at least 50 percent. Our automated dictionary feature identification pipeline, leveraging large language models (LLMs), uncovers thousands of learned medical concepts by examining and summarizing the highest activating tokens for each dictionary feature. We represent the relationships between dictionary features and medical codes through a sparse interpretable matrix, enhancing the mechanistic and global understanding of the model's predictions while maintaining competitive performance and scalability without extensive human annotation.

This report introduces PixelBytes Embedding, a novel approach for unified multimodal representation learning. Our method captures diverse inputs in a single, cohesive representation, enabling emergent properties for multimodal sequence generation, particularly for text and pixelated images. Inspired by state-of-the-art sequence models such as Image Transformers, PixelCNN, and Mamba-Bytes, PixelBytes aims to address the challenges of integrating different data types. We explore various model architectures, including Recurrent Neural Networks (RNNs), State Space Models (SSMs), and Attention-based models, focusing on bidirectional processing and our innovative PxBy embedding technique. Our experiments, conducted on a specialized PixelBytes Pok{\'e}mon dataset, demonstrate that bidirectional sequence models with PxBy embedding and convolutional layers can generate coherent multimodal sequences. This work contributes to the advancement of integrated AI models capable of understanding and generating multimodal data in a unified manner.

Diffusion models have emerged as a powerful paradigm for generation, obtaining strong performance in various domains with continuous-valued inputs. Despite the promises of fully non-autoregressive text generation, applying diffusion models to natural language remains challenging due to its discrete nature. In this work, we propose Text-to-text Self-conditioned Simplex Diffusion (TESS), a text diffusion model that is fully non-autoregressive, employs a new form of self-conditioning, and applies the diffusion process on the logit simplex space rather than the typical learned embedding space. Through extensive experiments on natural language understanding and generation tasks including summarization, text simplification, paraphrase generation, and question generation, we demonstrate that TESS outperforms state-of-the-art non-autoregressive models and is competitive with pretrained autoregressive sequence-to-sequence models.

To accelerate the inference of heavy Multimodal Large Language Models (MLLMs), this study rethinks the current landscape of training-free token reduction research. We regret to find that the critical components of existing methods are tightly intertwined, with their interconnections and effects remaining unclear for comparison, transfer, and expansion. Therefore, we propose a unified ''filter-correlate-compress'' paradigm that decomposes the token reduction into three distinct stages within a pipeline, maintaining consistent design objectives and elements while allowing for unique implementations. We additionally demystify the popular works and subsume them into our paradigm to showcase its universality. Finally, we offer a suite of methods grounded in the paradigm, striking a balance between speed and accuracy throughout different phases of the inference. Experimental results across 10 benchmarks indicate that our methods can achieve up to an 82.4% reduction in FLOPs with a minimal impact on performance, simultaneously surpassing state-of-the-art training-free methods. Our project page is at https://ficoco-accelerate.github.io/.

While the activations of neurons in deep neural networks usually do not have a simple human-understandable interpretation, sparse autoencoders (SAEs) can be used to transform these activations into a higher-dimensional latent space which may be more easily interpretable. However, these SAEs can have millions of distinct latent features, making it infeasible for humans to manually interpret each one. In this work, we build an open-source automated pipeline to generate and evaluate natural language explanations for SAE features using LLMs. We test our framework on SAEs of varying sizes, activation functions, and losses, trained on two different open-weight LLMs. We introduce five new techniques to score the quality of explanations that are cheaper to run than the previous state of the art. One of these techniques, intervention scoring, evaluates the interpretability of the effects of intervening on a feature, which we find explains features that are not recalled by existing methods. We propose guidelines for generating better explanations that remain valid for a broader set of activating contexts, and discuss pitfalls with existing scoring techniques. We use our explanations to measure the semantic similarity of independently trained SAEs, and find that SAEs trained on nearby layers of the residual stream are highly similar. Our large-scale analysis confirms that SAE latents are indeed much more interpretable than neurons, even when neurons are sparsified using top-k postprocessing. Our code is available at https://github.com/EleutherAI/sae-auto-interp, and our explanations are available at https://huggingface.co/datasets/EleutherAI/auto_interp_explanations.

Diffusion Transformers (DiTs) have gained prominence for outstanding scalability and extraordinary performance in generative tasks. However, their considerable inference costs impede practical deployment. The feature cache mechanism, which involves storing and retrieving redundant computations across timesteps, holds promise for reducing per-step inference time in diffusion models. Most existing caching methods for DiT are manually designed. Although the learning-based approach attempts to optimize strategies adaptively, it suffers from discrepancies between training and inference, which hampers both the performance and acceleration ratio. Upon detailed analysis, we pinpoint that these discrepancies primarily stem from two aspects: (1) Prior Timestep Disregard, where training ignores the effect of cache usage at earlier timesteps, and (2) Objective Mismatch, where the training target (align predicted noise in each timestep) deviates from the goal of inference (generate the high-quality image). To alleviate these discrepancies, we propose HarmoniCa, a novel method that Harmonizes training and inference with a novel learning-based Caching framework built upon Step-Wise Denoising Training (SDT) and Image Error Proxy-Guided Objective (IEPO). Compared to the traditional training paradigm, the newly proposed SDT maintains the continuity of the denoising process, enabling the model to leverage information from prior timesteps during training, similar to the way it operates during inference. Furthermore, we design IEPO, which integrates an efficient proxy mechanism to approximate the final image error caused by reusing the cached feature. Therefore, IEPO helps balance final image quality and cache utilization, resolving the issue of training that only considers the impact of cache usage on the predicted output at each timestep.

Large Language Models (LLMs) have demonstrated remarkable capabilities across various tasks. However, they sometimes suffer from producing hallucinations, particularly in cases where they may generate untruthful responses despite possessing the correct knowledge. In this paper, we propose TruthX, an inference-time method to elicit the truthfulness of LLMs by editing their internal representations in truthful space. TruthX employs an auto-encoder to map LLM's representations into semantic and truthful latent spaces respectively, and applies contrastive learning to identify a truthful editing direction within the truthful space. During inference, by editing LLM's internal representations in truthful space, TruthX effectively enhances the truthfulness of LLMs. Experiments show that TruthX effectively improves the truthfulness of 13 advanced LLMs by an average of 20% on TruthfulQA benchmark. Further analyses suggest that the truthful space acquired by TruthX plays a pivotal role in controlling LLM to produce truthful or hallucinatory responses.

We introduce a new approach to systematically map features discovered by sparse autoencoder across consecutive layers of large language models, extending earlier work that examined inter-layer feature links. By using a data-free cosine similarity technique, we trace how specific features persist, transform, or first appear at each stage. This method yields granular flow graphs of feature evolution, enabling fine-grained interpretability and mechanistic insights into model computations. Crucially, we demonstrate how these cross-layer feature maps facilitate direct steering of model behavior by amplifying or suppressing chosen features, achieving targeted thematic control in text generation. Together, our findings highlight the utility of a causal, cross-layer interpretability framework that not only clarifies how features develop through forward passes but also provides new means for transparent manipulation of large language models.

Explainable AI (XAI) is the study on how humans can be able to understand the cause of a model's prediction. In this work, the problem of interest is Scene Text Recognition (STR) Explainability, using XAI to understand the cause of an STR model's prediction. Recent XAI literatures on STR only provide a simple analysis and do not fully explore other XAI methods. In this study, we specifically work on data explainability frameworks, called attribution-based methods, that explain the important parts of an input data in deep learning models. However, integrating them into STR produces inconsistent and ineffective explanations, because they only explain the model in the global context. To solve this problem, we propose a new method, STRExp, to take into consideration the local explanations, i.e. the individual character prediction explanations. This is then benchmarked across different attribution-based methods on different STR datasets and evaluated across different STR models.

Integrating free-text explanations to in-context learning of large language models (LLM) is shown to elicit strong reasoning capabilities along with reasonable explanations. In this paper, we consider the problem of leveraging the explanations generated by LLM to improve the training of small reasoners, which are more favorable in real-production deployment due to their low cost. We systematically explore three explanation generation approaches from LLM and utilize a multi-task learning framework to facilitate small models to acquire strong reasoning power together with explanation generation capabilities. Experiments on multiple reasoning tasks show that our method can consistently and significantly outperform finetuning baselines across different settings, and even perform better than finetuning/prompting a 60x larger GPT-3 (175B) model by up to 9.5% in accuracy. As a side benefit, human evaluation further shows that our method can generate high-quality explanations to justify its predictions, moving towards the goal of explainable AI.

Large multimodal models (LMMs) combine unimodal encoders and large language models (LLMs) to perform multimodal tasks. Despite recent advancements towards the interpretability of these models, understanding internal representations of LMMs remains largely a mystery. In this paper, we present a novel framework for the interpretation of LMMs. We propose a dictionary learning based approach, applied to the representation of tokens. The elements of the learned dictionary correspond to our proposed concepts. We show that these concepts are well semantically grounded in both vision and text. Thus we refer to these as ``multi-modal concepts''. We qualitatively and quantitatively evaluate the results of the learnt concepts. We show that the extracted multimodal concepts are useful to interpret representations of test samples. Finally, we evaluate the disentanglement between different concepts and the quality of grounding concepts visually and textually. Our code is publicly available at https://github.com/mshukor/xl-vlms

Transformer-based Large Language Models (LLMs) are pioneering advances in many natural language processing tasks, however, their exceptional capabilities are restricted within the preset context window of Transformer. Position Embedding (PE) scaling methods, while effective in extending the context window to a specific length, demonstrate either notable limitations in their extrapolation abilities or sacrificing partial performance within the context window. Length extrapolation methods, although theoretically capable of extending the context window beyond the training sequence length, often underperform in practical long-context applications. To address these challenges, we propose Continuous Length EXtrapolation (CLEX) for LLMs. We generalise the PE scaling approaches to model the continuous dynamics by ordinary differential equations over the length scaling factor, thereby overcoming the constraints of current PE scaling methods designed for specific lengths. Moreover, by extending the dynamics to desired context lengths beyond the training sequence length, CLEX facilitates the length extrapolation with impressive performance in practical tasks. We demonstrate that CLEX can be seamlessly incorporated into LLMs equipped with Rotary Position Embedding, such as LLaMA and GPT-NeoX, with negligible impact on training and inference latency. Experimental results reveal that CLEX can effectively extend the context window to over 4x or almost 8x training length, with no deterioration in performance. Furthermore, when evaluated on the practical LongBench benchmark, our model trained on a 4k length exhibits competitive performance against state-of-the-art open-source models trained on context lengths up to 32k.

Attribution methods, which employ heatmaps to identify the most influential regions of an image that impact model decisions, have gained widespread popularity as a type of explainability method. However, recent research has exposed the limited practical value of these methods, attributed in part to their narrow focus on the most prominent regions of an image -- revealing "where" the model looks, but failing to elucidate "what" the model sees in those areas. In this work, we try to fill in this gap with CRAFT -- a novel approach to identify both "what" and "where" by generating concept-based explanations. We introduce 3 new ingredients to the automatic concept extraction literature: (i) a recursive strategy to detect and decompose concepts across layers, (ii) a novel method for a more faithful estimation of concept importance using Sobol indices, and (iii) the use of implicit differentiation to unlock Concept Attribution Maps. We conduct both human and computer vision experiments to demonstrate the benefits of the proposed approach. We show that the proposed concept importance estimation technique is more faithful to the model than previous methods. When evaluating the usefulness of the method for human experimenters on a human-centered utility benchmark, we find that our approach significantly improves on two of the three test scenarios. Our code is freely available at github.com/deel-ai/Craft.

Recent advances in document image analysis (DIA) have been primarily driven by the application of neural networks. Ideally, research outcomes could be easily deployed in production and extended for further investigation. However, various factors like loosely organized codebases and sophisticated model configurations complicate the easy reuse of important innovations by a wide audience. Though there have been on-going efforts to improve reusability and simplify deep learning (DL) model development in disciplines like natural language processing and computer vision, none of them are optimized for challenges in the domain of DIA. This represents a major gap in the existing toolkit, as DIA is central to academic research across a wide range of disciplines in the social sciences and humanities. This paper introduces layoutparser, an open-source library for streamlining the usage of DL in DIA research and applications. The core layoutparser library comes with a set of simple and intuitive interfaces for applying and customizing DL models for layout detection, character recognition, and many other document processing tasks. To promote extensibility, layoutparser also incorporates a community platform for sharing both pre-trained models and full document digitization pipelines. We demonstrate that layoutparser is helpful for both lightweight and large-scale digitization pipelines in real-word use cases. The library is publicly available at https://layout-parser.github.io/.

Hallucination, posed as a pervasive challenge of multi-modal large language models (MLLMs), has significantly impeded their real-world usage that demands precise judgment. Existing methods mitigate this issue with either training with specific designed data or inferencing with external knowledge from other sources, incurring inevitable additional costs. In this paper, we present OPERA, a novel MLLM decoding method grounded in an Over-trust Penalty and a Retrospection-Allocation strategy, serving as a nearly free lunch to alleviate the hallucination issue without additional data, knowledge, or training. Our approach begins with an interesting observation that, most hallucinations are closely tied to the knowledge aggregation patterns manifested in the self-attention matrix, i.e., MLLMs tend to generate new tokens by focusing on a few summary tokens, but not all the previous tokens. Such partial over-trust inclination results in the neglecting of image tokens and describes the image content with hallucination. Statistically, we observe an 80%sim95% co-currency rate between hallucination contents and such knowledge aggregation patterns. Based on the observation, OPERA introduces a penalty term on the model logits during the beam-search decoding to mitigate the over-trust issue, along with a rollback strategy that retrospects the presence of summary tokens in the previously generated tokens, and re-allocate the token selection if necessary. With extensive experiments, OPERA shows significant hallucination-mitigating performance on different MLLMs and metrics, proving its effectiveness and generality. Our code is available at: https://github.com/shikiw/OPERA.

The issue of hallucinations in large language models (LLMs) remains a critical barrier to the adoption of AI in enterprise and other high-stakes applications. Despite advancements in retrieval-augmented generation (RAG) systems, current state-of-the-art methods fail to achieve more than 80% accuracy in generating faithful and factually correct outputs, even when provided with relevant and accurate context. In this work, we introduce Acurai, a novel systematic approach that achieves 100% hallucination-free responses in LLMs by reformatting queries and context data prior to input. Leveraging a deep understanding of LLM internal representations, the importance of noun-phrase dominance, and the role of discrete functional units (DFUs), Acurai ensures alignment between input context and generated output. We validate this method using the RAGTruth corpus, demonstrating its ability to eliminate 100% hallucinations for both GPT-4 and GPT-3.5 Turbo. Acurai sets a new standard for achieving consistent, accurate, and faithful AI responses, marking a significant step forward in the development of trustworthy AI systems.

Language Models (LMs) can perform new tasks by adapting to a few in-context examples. For humans, explanations that connect examples to task principles can improve learning. We therefore investigate whether explanations of few-shot examples can help LMs. We annotate questions from 40 challenging tasks with answer explanations, and various matched control explanations. We evaluate how different types of explanations, instructions, and controls affect zero- and few-shot performance. We analyze these results using statistical multilevel modeling techniques that account for the nested dependencies among conditions, tasks, prompts, and models. We find that explanations can improve performance -- even without tuning. Furthermore, explanations hand-tuned for performance on a small validation set offer substantially larger benefits, and building a prompt by selecting examples and explanations together substantially improves performance over selecting examples alone. Finally, even untuned explanations outperform carefully matched controls, suggesting that the benefits are due to the link between an example and its explanation, rather than lower-level features. However, only large models benefit. In summary, explanations can support the in-context learning of large LMs on challenging tasks.

Despite their proficiency in general tasks, Multi-modal Large Language Models (MLLMs) struggle with automatic Geometry Problem Solving (GPS), which demands understanding diagrams, interpreting symbols, and performing complex reasoning. This limitation arises from their pre-training on natural images and texts, along with the lack of automated verification in the problem-solving process. Besides, current geometric specialists are limited by their task-specific designs, making them less effective for broader geometric problems. To this end, we present GeoX, a multi-modal large model focusing on geometric understanding and reasoning tasks. Given the significant differences between geometric diagram-symbol and natural image-text, we introduce unimodal pre-training to develop a diagram encoder and symbol decoder, enhancing the understanding of geometric images and corpora. Furthermore, we introduce geometry-language alignment, an effective pre-training paradigm that bridges the modality gap between unimodal geometric experts. We propose a Generator-And-Sampler Transformer (GS-Former) to generate discriminative queries and eliminate uninformative representations from unevenly distributed geometric signals. Finally, GeoX benefits from visual instruction tuning, empowering it to take geometric images and questions as input and generate verifiable solutions. Experiments show that GeoX outperforms both generalists and geometric specialists on publicly recognized benchmarks, such as GeoQA, UniGeo, Geometry3K, and PGPS9k.

Large language models (LLMs), such as o1 from OpenAI, have demonstrated remarkable reasoning capabilities. o1 generates a long chain-of-thought (LongCoT) before answering a question. LongCoT allows LLMs to analyze problems, devise plans, reflect, and backtrack effectively. These actions empower LLM to solve complex problems. After the release of o1, many teams have attempted to replicate its LongCoT and reasoning capabilities. In terms of methods, they primarily rely on knowledge distillation with data from existing models with LongCoT capacities (e.g., OpenAI-o1, Qwen-QwQ, DeepSeek-R1-Preview), leaving significant uncertainties on systematically developing such reasoning abilities. In terms of data domains, these works focus narrowly on math while a few others include coding, limiting their generalizability. This paper introduces a novel approach to enable LLM's LongCoT capacity without distillation from o1-like models or expensive human annotations, where we bootstrap LongCoT (BOLT) from a standard instruct model. BOLT involves three stages: 1) LongCoT data bootstrapping with in-context learning on a standard instruct model; 2) LongCoT supervised finetuning; 3) online training to further refine LongCoT capacities. In BOLT, only a few in-context examples need to be constructed during the bootstrapping stage; in our experiments, we created 10 examples, demonstrating the feasibility of this approach. We use Llama-3.1-70B-Instruct to bootstrap LongCoT and apply our method to various model scales (7B, 8B, 70B). We achieve impressive performance on a variety of benchmarks, Arena-Hard, MT-Bench, WildBench, ZebraLogic, MATH500, which evaluate diverse task-solving and reasoning capabilities.

With the advent of larger and more complex deep learning models, such as in Natural Language Processing (NLP), model qualities like explainability and interpretability, albeit highly desirable, are becoming harder challenges to tackle and solve. For example, state-of-the-art models in text classification are black-box by design. Although standard explanation methods provide some degree of explainability, these are mostly correlation-based methods and do not provide much insight into the model. The alternative of causal explainability is more desirable to achieve but extremely challenging in NLP due to a variety of reasons. Inspired by recent endeavors to utilize Large Language Models (LLMs) as experts, in this work, we aim to leverage the instruction-following and textual understanding capabilities of recent state-of-the-art LLMs to facilitate causal explainability via counterfactual explanation generation for black-box text classifiers. To do this, we propose a three-step pipeline via which, we use an off-the-shelf LLM to: (1) identify the latent or unobserved features in the input text, (2) identify the input features associated with the latent features, and finally (3) use the identified input features to generate a counterfactual explanation. We experiment with our pipeline on multiple NLP text classification datasets, with several recent LLMs, and present interesting and promising findings.

We aim to identify how different components in the KD pipeline affect the resulting performance and how much the optimal KD pipeline varies across different datasets/tasks, such as the data augmentation policy, the loss function, and the intermediate representation for transferring the knowledge between teacher and student. To tease apart their effects, we propose Distiller, a meta KD framework that systematically combines a broad range of techniques across different stages of the KD pipeline, which enables us to quantify each component's contribution. Within Distiller, we unify commonly used objectives for distillation of intermediate representations under a universal mutual information (MI) objective and propose a class of MI-alpha objective functions with better bias/variance trade-off for estimating the MI between the teacher and the student. On a diverse set of NLP datasets, the best Distiller configurations are identified via large-scale hyperparameter optimization. Our experiments reveal the following: 1) the approach used to distill the intermediate representations is the most important factor in KD performance, 2) among different objectives for intermediate distillation, MI-alpha performs the best, and 3) data augmentation provides a large boost for small training datasets or small student networks. Moreover, we find that different datasets/tasks prefer different KD algorithms, and thus propose a simple AutoDistiller algorithm that can recommend a good KD pipeline for a new dataset.

In-context learning (ICL) has shown impressive results in few-shot learning tasks, yet its underlying mechanism is still not fully understood. A recent line of work suggests that ICL performs gradient descent (GD)-based optimization implicitly. While appealing, much of the research focuses on simplified settings, where the parameters of a shallow model are optimized. In this work, we revisit evidence for ICL-GD correspondence on realistic NLP tasks and models. We find gaps in evaluation, both in terms of problematic metrics and insufficient baselines. We show that surprisingly, even untrained models achieve comparable ICL-GD similarity scores despite not exhibiting ICL. Next, we explore a major discrepancy in the flow of information throughout the model between ICL and GD, which we term Layer Causality. We propose a simple GD-based optimization procedure that respects layer causality, and show it improves similarity scores significantly.

By computing the rank correlation between attention weights and feature-additive explanation methods, previous analyses either invalidate or support the role of attention-based explanations as a faithful and plausible measure of salience. To investigate whether this approach is appropriate, we compare LIME, Integrated Gradients, DeepLIFT, Grad-SHAP, Deep-SHAP, and attention-based explanations, applied to two neural architectures trained on single- and pair-sequence language tasks. In most cases, we find that none of our chosen methods agree. Based on our empirical observations and theoretical objections, we conclude that rank correlation does not measure the quality of feature-additive methods. Practitioners should instead use the numerous and rigorous diagnostic methods proposed by the community.

We present DocPuzzle, a rigorously constructed benchmark for evaluating long-context reasoning capabilities in large language models (LLMs). This benchmark comprises 100 expert-level QA problems requiring multi-step reasoning over long real-world documents. To ensure the task quality and complexity, we implement a human-AI collaborative annotation-validation pipeline. DocPuzzle introduces an innovative evaluation framework that mitigates guessing bias through checklist-guided process analysis, establishing new standards for assessing reasoning capacities in LLMs. Our evaluation results show that: 1)Advanced slow-thinking reasoning models like o1-preview(69.7%) and DeepSeek-R1(66.3%) significantly outperform best general instruct models like Claude 3.5 Sonnet(57.7%); 2)Distilled reasoning models like DeepSeek-R1-Distill-Qwen-32B(41.3%) falls far behind the teacher model, suggesting challenges to maintain the generalization of reasoning capabilities relying solely on distillation.

Deep Neural Networks (DNNs) have revolutionized various fields by enabling task automation and reducing human error. However, their internal workings and decision-making processes remain obscure due to their black box nature. Consequently, the lack of interpretability limits the application of these models in high-risk scenarios. To address this issue, the emerging field of eXplainable Artificial Intelligence (XAI) aims to explain and interpret the inner workings of DNNs. Despite advancements, XAI faces challenges such as the semantic gap between machine and human understanding, the trade-off between interpretability and performance, and the need for context-specific explanations. To overcome these limitations, we propose a novel multimodal framework named VALE Visual and Language Explanation. VALE integrates explainable AI techniques with advanced language models to provide comprehensive explanations. This framework utilizes visual explanations from XAI tools, an advanced zero-shot image segmentation model, and a visual language model to generate corresponding textual explanations. By combining visual and textual explanations, VALE bridges the semantic gap between machine outputs and human interpretation, delivering results that are more comprehensible to users. In this paper, we conduct a pilot study of the VALE framework for image classification tasks. Specifically, Shapley Additive Explanations (SHAP) are used to identify the most influential regions in classified images. The object of interest is then extracted using the Segment Anything Model (SAM), and explanations are generated using state-of-the-art pre-trained Vision-Language Models (VLMs). Extensive experimental studies are performed on two datasets: the ImageNet dataset and a custom underwater SONAR image dataset, demonstrating VALEs real-world applicability in underwater image classification.

Requiring a Large Language Model to generate intermediary reasoning steps has been shown to be an effective way of boosting performance. In fact, it has been found that instruction tuning on these intermediary reasoning steps improves model performance. In this work, we present a novel method of further improving performance by requiring models to compare multiple reasoning chains before generating a solution in a single inference step. We call this method Divergent CoT (DCoT). We find that instruction tuning on DCoT datasets boosts the performance of even smaller, and therefore more accessible, LLMs. Through a rigorous set of experiments spanning a wide range of tasks that require various reasoning types, we show that fine-tuning on DCoT consistently improves performance over the CoT baseline across model families and scales (1.3B to 70B). Through a combination of empirical and manual evaluation, we additionally show that these performance gains stem from models generating multiple divergent reasoning chains in a single inference step, indicative of the enabling of self-correction in language models. Our code and data are publicly available at https://github.com/UKPLab/arxiv2024-divergent-cot.

We introduce the new task of generating Illustrated Instructions, i.e., visual instructions customized to a user's needs. We identify desiderata unique to this task, and formalize it through a suite of automatic and human evaluation metrics, designed to measure the validity, consistency, and efficacy of the generations. We combine the power of large language models (LLMs) together with strong text-to-image generation diffusion models to propose a simple approach called StackedDiffusion, which generates such illustrated instructions given text as input. The resulting model strongly outperforms baseline approaches and state-of-the-art multimodal LLMs; and in 30% of cases, users even prefer it to human-generated articles. Most notably, it enables various new and exciting applications far beyond what static articles on the web can provide, such as personalized instructions complete with intermediate steps and pictures in response to a user's individual situation.

Large Language Models (LLMs) have significantly impacted nearly every domain of human knowledge. However, the explainability of these models esp. to laypersons, which are crucial for instilling trust, have been examined through various skeptical lenses. In this paper, we introduce a novel notion of LLM explainability to laypersons, termed ReQuesting, across three high-priority application domains -- law, health and finance, using multiple state-of-the-art LLMs. The proposed notion exhibits faithful generation of explainable layman-understandable algorithms on multiple tasks through high degree of reproducibility. Furthermore, we observe a notable alignment of the explainable algorithms with intrinsic reasoning of the LLMs.

Chain-of-Thought (CoT) has been proven effective in enhancing the reasoning capabilities of large language models (LLMs). Recent advancements, such as OpenAI's o1 and DeepSeek-R1, suggest that scaling up the length of CoT sequences during inference could further boost LLM reasoning performance. However, due to the autoregressive nature of LLM decoding, longer CoT outputs lead to a linear increase in inference latency, adversely affecting user experience, particularly when the CoT exceeds 10,000 tokens. To address this limitation, we analyze the semantic importance of tokens within CoT outputs and reveal that their contributions to reasoning vary. Building on this insight, we propose TokenSkip, a simple yet effective approach that enables LLMs to selectively skip less important tokens, allowing for controllable CoT compression. Extensive experiments across various models and tasks demonstrate the effectiveness of TokenSkip in reducing CoT token usage while preserving strong reasoning performance. Notably, when applied to Qwen2.5-14B-Instruct, TokenSkip reduces reasoning tokens by 40% (from 313 to 181) on GSM8K, with less than a 0.4% performance drop.

Large language models (LLMs) have demonstrated remarkable abilities in representation learning for program synthesis and understanding tasks. The quality of the learned representations appears to be dictated by the neural scaling laws as a function of the number of model parameters and observations, while imposing upper bounds on the model performance by the amount of available data and compute, which is costly. In this study, we attempt to render the training of LLMs for program synthesis more efficient by unifying four key components: (1) model architectures, (2) learning methods, (3) infill sampling, and, (4) data distributions. Specifically, for the model architecture, we attempt to unify encoder and decoder-based models into a single prefix-LM. For learning methods, (i) causal language modeling, (ii) span corruption, (iii) infilling are unified into a simple learning algorithm. For infill sampling, we explore the claim of a "free lunch" hypothesis. For data distributions, the effect of a mixture distribution of programming and natural languages on model performance is explored. We conduct a comprehensive series of empirical experiments on 1B LLMs, for which failures and successes of this exploration are distilled into four lessons. We will provide a final recipe for training and release CodeGen2 models in size 1B, 3.7B, 7B, and, 16B parameters, along with the training framework as open-source: https://github.com/salesforce/CodeGen2.

We introduce Score identity Distillation (SiD), an innovative data-free method that distills the generative capabilities of pretrained diffusion models into a single-step generator. SiD not only facilitates an exponentially fast reduction in Fr\'echet inception distance (FID) during distillation but also approaches or even exceeds the FID performance of the original teacher diffusion models. By reformulating forward diffusion processes as semi-implicit distributions, we leverage three score-related identities to create an innovative loss mechanism. This mechanism achieves rapid FID reduction by training the generator using its own synthesized images, eliminating the need for real data or reverse-diffusion-based generation, all accomplished within significantly shortened generation time. Upon evaluation across four benchmark datasets, the SiD algorithm demonstrates high iteration efficiency during distillation and surpasses competing distillation approaches, whether they are one-step or few-step, data-free, or dependent on training data, in terms of generation quality. This achievement not only redefines the benchmarks for efficiency and effectiveness in diffusion distillation but also in the broader field of diffusion-based generation. The PyTorch implementation is available at https://github.com/mingyuanzhou/SiD

We present trellis networks, a new architecture for sequence modeling. On the one hand, a trellis network is a temporal convolutional network with special structure, characterized by weight tying across depth and direct injection of the input into deep layers. On the other hand, we show that truncated recurrent networks are equivalent to trellis networks with special sparsity structure in their weight matrices. Thus trellis networks with general weight matrices generalize truncated recurrent networks. We leverage these connections to design high-performing trellis networks that absorb structural and algorithmic elements from both recurrent and convolutional models. Experiments demonstrate that trellis networks outperform the current state of the art methods on a variety of challenging benchmarks, including word-level language modeling and character-level language modeling tasks, and stress tests designed to evaluate long-term memory retention. The code is available at https://github.com/locuslab/trellisnet .

Data Augmentation (DA), \ie, synthesizing faithful and diverse samples to expand the original training set, is a prevalent and effective strategy to improve various visual recognition tasks. With the powerful image generation ability, diffusion-based DA has shown strong performance gains on different benchmarks. In this paper, we analyze today's diffusion-based DA methods, and argue that they cannot take account of both faithfulness and diversity, which are two critical keys for generating high-quality samples and boosting final classification performance. To this end, we propose a novel Diffusion-based Inversion Interpolation DA method: Diff-II. Specifically, Diff-II consists of three main steps: 1) Category concepts learning: Learning concept embeddings for each category. 2) Inversion interpolation: Calculating the inversion for each image, and conducting spherical interpolation for two randomly sampled inversions from the same category. 3) Two-stage denoising: Using different prompts to generate synthesized images in a coarse-to-fine manner. Extensive experiments on multiple image classification tasks (\eg, few-shot, long-tailed, and out-of-distribution classification) have demonstrated its effectiveness over state-of-the-art diffusion-based DA methods.

We propose a novel dependency-based hybrid tree model for semantic parsing, which converts natural language utterance into machine interpretable meaning representations. Unlike previous state-of-the-art models, the semantic information is interpreted as the latent dependency between the natural language words in our joint representation. Such dependency information can capture the interactions between the semantics and natural language words. We integrate a neural component into our model and propose an efficient dynamic-programming algorithm to perform tractable inference. Through extensive experiments on the standard multilingual GeoQuery dataset with eight languages, we demonstrate that our proposed approach is able to achieve state-of-the-art performance across several languages. Analysis also justifies the effectiveness of using our new dependency-based representation.

We investigate efficient methods for training Large Language Models (LLMs) to possess capabilities in multiple specialized domains, such as coding, math reasoning and world knowledge. Our method, named Branch-Train-MiX (BTX), starts from a seed model, which is branched to train experts in embarrassingly parallel fashion with high throughput and reduced communication cost. After individual experts are asynchronously trained, BTX brings together their feedforward parameters as experts in Mixture-of-Expert (MoE) layers and averages the remaining parameters, followed by an MoE-finetuning stage to learn token-level routing. BTX generalizes two special cases, the Branch-Train-Merge method, which does not have the MoE finetuning stage to learn routing, and sparse upcycling, which omits the stage of training experts asynchronously. Compared to alternative approaches, BTX achieves the best accuracy-efficiency tradeoff.

Diffusion models have demonstrated excellent capabilities in text-to-image generation. Their semantic understanding (i.e., prompt following) ability has also been greatly improved with large language models (e.g., T5, Llama). However, existing models cannot perfectly handle long and complex text prompts, especially when the text prompts contain various objects with numerous attributes and interrelated spatial relationships. While many regional prompting methods have been proposed for UNet-based models (SD1.5, SDXL), but there are still no implementations based on the recent Diffusion Transformer (DiT) architecture, such as SD3 and FLUX.1.In this report, we propose and implement regional prompting for FLUX.1 based on attention manipulation, which enables DiT with fined-grained compositional text-to-image generation capability in a training-free manner. Code is available at https://github.com/antonioo-c/Regional-Prompting-FLUX.

Chain-of-Thought (CoT) prompting has significantly enhanced the reasoning abilities of large language models. However, recent studies have shown that models can still perform complex reasoning tasks even when the CoT is replaced with filler(hidden) characters (e.g., "..."), leaving open questions about how models internally process and represent reasoning steps. In this paper, we investigate methods to decode these hidden characters in transformer models trained with filler CoT sequences. By analyzing layer-wise representations using the logit lens method and examining token rankings, we demonstrate that the hidden characters can be recovered without loss of performance. Our findings provide insights into the internal mechanisms of transformer models and open avenues for improving interpretability and transparency in language model reasoning.

Large language models (LLMs) have shown remarkable performances across a wide range of tasks. However, the mechanisms by which these models encode tasks of varying complexities remain poorly understood. In this paper, we explore the hypothesis that LLMs process concepts of varying complexities in different layers, introducing the idea of "Concept Depth" to suggest that more complex concepts are typically acquired in deeper layers. Specifically, we categorize concepts based on their level of abstraction, defining them in the order of increasing complexity within factual, emotional, and inferential tasks. We conduct extensive probing experiments using layer-wise representations across various LLM families (Gemma, LLaMA, QWen) on various datasets spanning the three domains of tasks. Our findings reveal that models could efficiently conduct probing for simpler tasks in shallow layers, and more complex tasks typically necessitate deeper layers for accurate understanding. Additionally, we examine how external factors, such as adding noise to the input and quantizing the model weights, might affect layer-wise representations. Our findings suggest that these factors can impede the development of a conceptual understanding of LLMs until deeper layers are explored. We hope that our proposed concept and experimental insights will enhance the understanding of the mechanisms underlying LLMs. Our codes are available at https://github.com/Luckfort/CD.

Deep Learning (DL) is prevalently used in various industries to improve decision-making and automate processes, driven by the ever-evolving DL libraries and compilers. The correctness of DL systems is crucial for trust in DL applications. As such, the recent wave of research has been studying the automated synthesis of test-cases (i.e., DNN models and their inputs) for fuzzing DL systems. However, existing model generators only subsume a limited number of operators, lacking the ability to pervasively model operator constraints. To address this challenge, we propose NeuRI, a fully automated approach for generating valid and diverse DL models composed of hundreds of types of operators. NeuRI adopts a three-step process: (i) collecting valid and invalid API traces from various sources; (ii) applying inductive program synthesis over the traces to infer the constraints for constructing valid models; and (iii) using hybrid model generation which incorporates both symbolic and concrete operators. Our evaluation shows that NeuRI improves branch coverage of TensorFlow and PyTorch by 24% and 15% over the state-of-the-art model-level fuzzers. NeuRI finds 100 new bugs for PyTorch and TensorFlow in four months, with 81 already fixed or confirmed. Of these, 9 bugs are labelled as high priority or security vulnerability, constituting 10% of all high-priority bugs of the period. Open-source developers regard error-inducing tests reported by us as "high-quality" and "common in practice".

In the rapidly evolving landscape of deep learning, the quest for models that balance expressivity with computational efficiency has never been more critical. This paper introduces Orchid, a novel architecture that reimagines sequence modeling by incorporating a new data-dependent convolution mechanism. Orchid is designed to address the inherent limitations of traditional attention mechanisms, particularly their quadratic complexity, without compromising the ability to capture long-range dependencies and in-context learning. At the core of Orchid lies the data-dependent convolution layer, which dynamically adjusts its kernel conditioned on input data using a dedicated conditioning neural network. We design two simple conditioning networks that maintain shift equivariance in the adaptive convolution operation. The dynamic nature of data-dependent convolution kernel, coupled with gating operations, grants Orchid high expressivity while maintaining efficiency and quasilinear scalability for long sequences. We rigorously evaluate Orchid across multiple domains, including language modeling and image classification, to showcase its performance and generality. Our experiments demonstrate that Orchid architecture not only outperforms traditional attention-based architectures such as BERT and Vision Transformers with smaller model sizes, but also extends the feasible sequence length beyond the limitations of the dense attention layers. This achievement represents a significant step towards more efficient and scalable deep learning models for sequence modeling.

Although Large Language Models (LLMs) excel in reasoning and generation for language tasks, they are not specifically designed for multimodal challenges. Training Multimodal Large Language Models (MLLMs), however, is resource-intensive and constrained by various training limitations. In this paper, we propose the Modular-based Visual Contrastive Decoding (MVCD) framework to move this obstacle. Our framework leverages LLMs' In-Context Learning (ICL) capability and the proposed visual contrastive-example decoding (CED), specifically tailored for this framework, without requiring any additional training. By converting visual signals into text and focusing on contrastive output distributions during decoding, we can highlight the new information introduced by contextual examples, explore their connections, and avoid over-reliance on prior encoded knowledge. MVCD enhances LLMs' visual perception to make it see and reason over the input visuals. To demonstrate MVCD's effectiveness, we conduct experiments with four LLMs across five question answering datasets. Our results not only show consistent improvement in model accuracy but well explain the effective components inside our decoding strategy. Our code will be available at https://github.com/Pbhgit/MVCD.

The ML community is rapidly exploring techniques for prompting language models (LMs) and for stacking them into pipelines that solve complex tasks. Unfortunately, existing LM pipelines are typically implemented using hard-coded "prompt templates", i.e. lengthy strings discovered via trial and error. Toward a more systematic approach for developing and optimizing LM pipelines, we introduce DSPy, a programming model that abstracts LM pipelines as text transformation graphs, i.e. imperative computational graphs where LMs are invoked through declarative modules. DSPy modules are parameterized, meaning they can learn (by creating and collecting demonstrations) how to apply compositions of prompting, finetuning, augmentation, and reasoning techniques. We design a compiler that will optimize any DSPy pipeline to maximize a given metric. We conduct two case studies, showing that succinct DSPy programs can express and optimize sophisticated LM pipelines that reason about math word problems, tackle multi-hop retrieval, answer complex questions, and control agent loops. Within minutes of compiling, a few lines of DSPy allow GPT-3.5 and llama2-13b-chat to self-bootstrap pipelines that outperform standard few-shot prompting (generally by over 25% and 65%, respectively) and pipelines with expert-created demonstrations (by up to 5-46% and 16-40%, respectively). On top of that, DSPy programs compiled to open and relatively small LMs like 770M-parameter T5 and llama2-13b-chat are competitive with approaches that rely on expert-written prompt chains for proprietary GPT-3.5. DSPy is available at https://github.com/stanfordnlp/dspy

The development of deep learning software libraries enabled significant progress in the field by allowing users to focus on modeling, while letting the library to take care of the tedious and time-consuming task of optimizing execution for modern hardware accelerators. However, this has benefited only particular types of deep learning models, such as Transformers, whose primitives map easily to the vectorized computation. The models that explicitly account for structured objects, such as trees and segmentations, did not benefit equally because they require custom algorithms that are difficult to implement in a vectorized form. SynJax directly addresses this problem by providing an efficient vectorized implementation of inference algorithms for structured distributions covering alignment, tagging, segmentation, constituency trees and spanning trees. With SynJax we can build large-scale differentiable models that explicitly model structure in the data. The code is available at https://github.com/deepmind/synjax.

Large language models (LLMs) are documented to struggle in settings that require complex reasoning. Nevertheless, instructing the model to break down the problem into smaller reasoning steps (Wei et al., 2022), or ensembling various generations through modifying decoding steps (Wang et al., 2023) boosts performance. Current methods assume that the input prompt is fixed and expect the decoding strategies to introduce the diversity needed for ensembling. In this work, we relax this assumption and discuss how one can create and leverage variations of the input prompt as a means to diversity of thought to improve model performance. We propose a method that automatically improves prompt diversity by soliciting feedback from the LLM to ideate approaches that fit for the problem. We then ensemble the diverse prompts in our method DIV-SE (DIVerse reasoning path Self-Ensemble) across multiple inference calls. We also propose a cost-effective alternative where diverse prompts are used within a single inference call; we call this IDIV-SE (In-call DIVerse reasoning path Self-Ensemble). Under a fixed generation budget, DIV-SE and IDIV-SE outperform the previously discussed baselines using both GPT-3.5 and GPT-4 on several reasoning benchmarks, without modifying the decoding process. Additionally, DIV-SE advances state-of-the-art performance on recent planning benchmarks (Valmeekam et al., 2023), exceeding the highest previously reported accuracy by at least 29.6 percentage points on the most challenging 4/5 Blocksworld task. Our results shed light on how to enforce prompt diversity toward LLM reasoning and thereby improve the pareto frontier of the accuracy-cost trade-off.

Enabling generative models to decompose visual concepts from a single image is a complex and challenging problem. In this paper, we study a new and challenging task, customized concept decomposition, wherein the objective is to leverage diffusion models to decompose a single image and generate visual concepts from various perspectives. To address this challenge, we propose a two-stage framework, CusConcept (short for Customized Visual Concept Decomposition), to extract customized visual concept embedding vectors that can be embedded into prompts for text-to-image generation. In the first stage, CusConcept employs a vocabulary-guided concept decomposition mechanism to build vocabularies along human-specified conceptual axes. The decomposed concepts are obtained by retrieving corresponding vocabularies and learning anchor weights. In the second stage, joint concept refinement is performed to enhance the fidelity and quality of generated images. We further curate an evaluation benchmark for assessing the performance of the open-world concept decomposition task. Our approach can effectively generate high-quality images of the decomposed concepts and produce related lexical predictions as secondary outcomes. Extensive qualitative and quantitative experiments demonstrate the effectiveness of CusConcept.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which addresses both families of tasks simultaneously. We identify diffusion models, a state-of-the-art method for generative tasks, as a prime candidate. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high-fidelity, diverse, novel images. We find that the intermediate feature maps of the U-Net are diverse, discriminative feature representations. We propose a novel attention mechanism for pooling feature maps and further leverage this mechanism as DifFormer, a transformer feature fusion of features from different diffusion U-Net blocks and noise steps. We also develop DifFeed, a novel feedback mechanism tailored to diffusion. We find that diffusion models are better than GANs, and, with our fusion and feedback mechanisms, can compete with state-of-the-art unsupervised image representation learning methods for discriminative tasks - image classification with full and semi-supervision, transfer for fine-grained classification, object detection and segmentation, and semantic segmentation. Our project website (https://mgwillia.github.io/diffssl/) and code (https://github.com/soumik-kanad/diffssl) are available publicly.

Despite the growing success of diffusion models in continuous-valued domains (e.g., images), similar efforts for discrete domains such as text have yet to match the performance of autoregressive language models. In this work, we present SSD-LM -- a diffusion-based language model with two key design choices. First, SSD-LM is semi-autoregressive, iteratively generating blocks of text, allowing for flexible output length at decoding time while enabling local bidirectional context updates. Second, it is simplex-based, performing diffusion on the natural vocabulary space rather than a learned latent space, allowing us to incorporate classifier guidance and modular control using off-the-shelf classifiers without any adaptation. We evaluate SSD-LM on unconstrained text generation benchmarks, and show that it matches or outperforms strong autoregressive GPT-2 models across standard quality and diversity metrics, while vastly outperforming diffusion-based baselines. On controlled text generation, SSD-LM also outperforms competitive baselines, with an extra advantage in modularity.

Transformers exhibit impressive capabilities but are often regarded as black boxes due to challenges in understanding the complex nonlinear relationships between features. Interpreting machine learning models is of paramount importance to mitigate risks, and mechanistic interpretability is in particular of current interest as it opens up a window for guiding manual modifications and reverse-engineering solutions. In this work, we introduce contextual decomposition for transformers (CD-T), extending a prior work on CD for RNNs and CNNs, to address mechanistic interpretation computationally efficiently. CD-T is a flexible interpretation method for transformers. It can capture contributions of combinations of input features or source internal components (e.g. attention heads, feed-forward networks) to (1) final predictions or (2) the output of any target internal component. Using CD-T, we propose a novel algorithm for circuit discovery. On a real-world pathology report classification task: we show CD-T distills a more faithful circuit of attention heads with improved computational efficiency (speed up 2x) than a prior benchmark, path patching. As a versatile interpretation method, CD-T also exhibits exceptional capabilities for local interpretations. CD-T is shown to reliably find words and phrases of contrasting sentiment/topic on SST-2 and AGNews datasets. Through human experiments, we demonstrate CD-T enables users to identify the more accurate of two models and to better trust a model's outputs compared to alternative interpretation methods such as SHAP and LIME.

We present in this paper a novel query formulation using dynamic anchor boxes for DETR (DEtection TRansformer) and offer a deeper understanding of the role of queries in DETR. This new formulation directly uses box coordinates as queries in Transformer decoders and dynamically updates them layer-by-layer. Using box coordinates not only helps using explicit positional priors to improve the query-to-feature similarity and eliminate the slow training convergence issue in DETR, but also allows us to modulate the positional attention map using the box width and height information. Such a design makes it clear that queries in DETR can be implemented as performing soft ROI pooling layer-by-layer in a cascade manner. As a result, it leads to the best performance on MS-COCO benchmark among the DETR-like detection models under the same setting, e.g., AP 45.7\% using ResNet50-DC5 as backbone trained in 50 epochs. We also conducted extensive experiments to confirm our analysis and verify the effectiveness of our methods. Code is available at https://github.com/SlongLiu/DAB-DETR.

Diffusion models have recently gained unprecedented attention in the field of image synthesis due to their remarkable generative capabilities. Notwithstanding their prowess, these models often incur substantial computational costs, primarily attributed to the sequential denoising process and cumbersome model size. Traditional methods for compressing diffusion models typically involve extensive retraining, presenting cost and feasibility challenges. In this paper, we introduce DeepCache, a novel training-free paradigm that accelerates diffusion models from the perspective of model architecture. DeepCache capitalizes on the inherent temporal redundancy observed in the sequential denoising steps of diffusion models, which caches and retrieves features across adjacent denoising stages, thereby curtailing redundant computations. Utilizing the property of the U-Net, we reuse the high-level features while updating the low-level features in a very cheap way. This innovative strategy, in turn, enables a speedup factor of 2.3times for Stable Diffusion v1.5 with only a 0.05 decline in CLIP Score, and 4.1times for LDM-4-G with a slight decrease of 0.22 in FID on ImageNet. Our experiments also demonstrate DeepCache's superiority over existing pruning and distillation methods that necessitate retraining and its compatibility with current sampling techniques. Furthermore, we find that under the same throughput, DeepCache effectively achieves comparable or even marginally improved results with DDIM or PLMS. The code is available at https://github.com/horseee/DeepCache

Embeddings play a pivotal role in the efficacy of Large Language Models. They are the bedrock on which these models grasp contextual relationships and foster a more nuanced understanding of language and consequently perform remarkably on a plethora of complex tasks that require a fundamental understanding of human language. Given that these embeddings themselves often reflect or exhibit bias, it stands to reason that these models may also inadvertently learn this bias. In this work, we build on the seminal previous work and propose DeepSoftDebias, an algorithm that uses a neural network to perform 'soft debiasing'. We exhaustively evaluate this algorithm across a variety of SOTA datasets, accuracy metrics, and challenging NLP tasks. We find that DeepSoftDebias outperforms the current state-of-the-art methods at reducing bias across gender, race, and religion.

The reasoning abilities of Large Language Models (LLMs) can be improved by structurally denoising their weights, yet existing techniques primarily focus on denoising the feed-forward network (FFN) of the transformer block, and can not efficiently utilise the Multi-head Attention (MHA) block, which is the core of transformer architectures. To address this issue, we propose a novel intuitive framework that, at its very core, performs MHA compression through a multi-head tensorisation process and the Tucker decomposition. This enables both higher-dimensional structured denoising and compression of the MHA weights, by enforcing a shared higher-dimensional subspace across the weights of the multiple attention heads. We demonstrate that this approach consistently enhances the reasoning capabilities of LLMs across multiple benchmark datasets, and for both encoder-only and decoder-only architectures, while achieving compression rates of up to sim 250 times in the MHA weights, all without requiring any additional data, training, or fine-tuning. Furthermore, we show that the proposed method can be seamlessly combined with existing FFN-only-based denoising techniques to achieve further improvements in LLM reasoning performance.

Individual neurons participate in the representation of multiple high-level concepts. To what extent can different interpretability methods successfully disentangle these roles? To help address this question, we introduce RAVEL (Resolving Attribute-Value Entanglements in Language Models), a dataset that enables tightly controlled, quantitative comparisons between a variety of existing interpretability methods. We use the resulting conceptual framework to define the new method of Multi-task Distributed Alignment Search (MDAS), which allows us to find distributed representations satisfying multiple causal criteria. With Llama2-7B as the target language model, MDAS achieves state-of-the-art results on RAVEL, demonstrating the importance of going beyond neuron-level analyses to identify features distributed across activations. We release our benchmark at https://github.com/explanare/ravel.

Amid a discussion about Green AI in which we see explainability neglected, we explore the possibility to efficiently approximate computationally expensive explainers. To this end, we propose feature attribution modelling with Empirical Explainers. Empirical Explainers learn from data to predict the attribution maps of expensive explainers. We train and test Empirical Explainers in the language domain and find that they model their expensive counterparts surprisingly well, at a fraction of the cost. They could thus mitigate the computational burden of neural explanations significantly, in applications that tolerate an approximation error.

Fine-grained steering of language model outputs is essential for safety and reliability. Prompting and finetuning are widely used to achieve these goals, but interpretability researchers have proposed a variety of representation-based techniques as well, including sparse autoencoders (SAEs), linear artificial tomography, supervised steering vectors, linear probes, and representation finetuning. At present, there is no benchmark for making direct comparisons between these proposals. Therefore, we introduce AxBench, a large-scale benchmark for steering and concept detection, and report experiments on Gemma-2-2B and 9B. For steering, we find that prompting outperforms all existing methods, followed by finetuning. For concept detection, representation-based methods such as difference-in-means, perform the best. On both evaluations, SAEs are not competitive. We introduce a novel weakly-supervised representational method (Rank-1 Representation Finetuning; ReFT-r1), which is competitive on both tasks while providing the interpretability advantages that prompting lacks. Along with AxBench, we train and publicly release SAE-scale feature dictionaries for ReFT-r1 and DiffMean.

The success of deep learning solving previously-thought hard problems has inspired many non-experts to learn and understand this exciting technology. However, it is often challenging for learners to take the first steps due to the complexity of deep learning models. We present our ongoing work, CNN 101, an interactive visualization system for explaining and teaching convolutional neural networks. Through tightly integrated interactive views, CNN 101 offers both overview and detailed descriptions of how a model works. Built using modern web technologies, CNN 101 runs locally in users' web browsers without requiring specialized hardware, broadening the public's education access to modern deep learning techniques.

Self-supervised Multi-modal Contrastive Learning (SMCL) remarkably advances modern Vision-Language Pre-training (VLP) models by aligning visual and linguistic modalities. Due to noises in web-harvested text-image pairs, however, scaling up training data volume in SMCL presents considerable obstacles in terms of computational cost and data inefficiency. To improve data efficiency in VLP, we propose Text-aware Image Mixing (TiMix), which integrates mix-based data augmentation techniques into SMCL, yielding significant performance improvements without significantly increasing computational overhead. We provide a theoretical analysis of TiMixfrom a mutual information (MI) perspective, showing that mixed data samples for cross-modal contrastive learning implicitly serve as a regularizer for the contrastive loss. The experimental results demonstrate that TiMix exhibits a comparable performance on downstream tasks, even with a reduced amount of training data and shorter training time, when benchmarked against existing methods. This work empirically and theoretically demonstrates the potential of data mixing for data-efficient and computationally viable VLP, benefiting broader VLP model adoption in practical scenarios.

This paper presents FedX, an unsupervised federated learning framework. Our model learns unbiased representation from decentralized and heterogeneous local data. It employs a two-sided knowledge distillation with contrastive learning as a core component, allowing the federated system to function without requiring clients to share any data features. Furthermore, its adaptable architecture can be used as an add-on module for existing unsupervised algorithms in federated settings. Experiments show that our model improves performance significantly (1.58--5.52pp) on five unsupervised algorithms.

Despite a sea of interpretability methods that can produce plausible explanations, the field has also empirically seen many failure cases of such methods. In light of these results, it remains unclear for practitioners how to use these methods and choose between them in a principled way. In this paper, we show that for moderately rich model classes (easily satisfied by neural networks), any feature attribution method that is complete and linear -- for example, Integrated Gradients and SHAP -- can provably fail to improve on random guessing for inferring model behaviour. Our results apply to common end-tasks such as characterizing local model behaviour, identifying spurious features, and algorithmic recourse. One takeaway from our work is the importance of concretely defining end-tasks: once such an end-task is defined, a simple and direct approach of repeated model evaluations can outperform many other complex feature attribution methods.

The self-attention mechanism utilizes large implicit weight matrices, programmed through dot product-based activations with very few trainable parameters, to enable long sequence modeling. In this paper, we investigate the possibility of discarding residual learning by employing large implicit kernels to achieve full context interaction at each layer of the network. To accomplish it, we introduce coordinate-based implicit MLPs as a slow network to generate hyper-kernels for another fast convolutional network. To get context-varying weights for fast dynamic encoding, we propose a HyperZ{cdotZ{cdot}W} operator that connects hyper-kernels (W) and hidden activations (Z) through simple elementwise multiplication, followed by convolution of Z using the context-dependent W. Based on this design, we present a novel Terminator architecture that integrates hyper-kernels of different sizes to produce multi-branch hidden representations for enhancing the feature extraction capability of each layer. Additionally, a bottleneck layer is employed to compress the concatenated channels, allowing only valuable information to propagate to the subsequent layers. Notably, our model incorporates several innovative components and exhibits excellent properties, such as introducing local feedback error for updating the slow network, stable zero-mean features, faster training convergence, and fewer model parameters. Extensive experimental results on pixel-level 1D and 2D image classification benchmarks demonstrate the superior performance of our architecture.

Human-like chatbots necessitate the use of commonsense reasoning in order to effectively comprehend and respond to implicit information present within conversations. Achieving such coherence and informativeness in responses, however, is a non-trivial task. Even for large language models (LLMs), the task of identifying and aggregating key evidence within a single hop presents a substantial challenge. This complexity arises because such evidence is scattered across multiple turns in a conversation, thus necessitating integration over multiple hops. Hence, our focus is to facilitate such multi-hop reasoning over a dialogue context, namely dialogue chain-of-thought (CoT) reasoning. To this end, we propose a knowledge distillation framework that leverages LLMs as unreliable teachers and selectively distills consistent and helpful rationales via alignment filters. We further present DOCTOR, a DialOgue Chain-of-ThOught Reasoner that provides reliable CoT rationales for response generation. We conduct extensive experiments to show that enhancing dialogue agents with high-quality rationales from DOCTOR significantly improves the quality of their responses.

A plethora of methods have been proposed to explain how deep neural networks reach their decisions but comparatively, little effort has been made to ensure that the explanations produced by these methods are objectively relevant. While several desirable properties for trustworthy explanations have been formulated, objective measures have been harder to derive. Here, we propose two new measures to evaluate explanations borrowed from the field of algorithmic stability: mean generalizability MeGe and relative consistency ReCo. We conduct extensive experiments on different network architectures, common explainability methods, and several image datasets to demonstrate the benefits of the proposed measures.In comparison to ours, popular fidelity measures are not sufficient to guarantee trustworthy explanations.Finally, we found that 1-Lipschitz networks produce explanations with higher MeGe and ReCo than common neural networks while reaching similar accuracy. This suggests that 1-Lipschitz networks are a relevant direction towards predictors that are more explainable and trustworthy.

Deep implicit functions (DIFs) have emerged as a powerful paradigm for many computer vision tasks such as 3D shape reconstruction, generation, registration, completion, editing, and understanding. However, given a set of 3D shapes with associated covariates there is at present no shape representation method which allows to precisely represent the shapes while capturing the individual dependencies on each covariate. Such a method would be of high utility to researchers to discover knowledge hidden in a population of shapes. For scientific shape discovery, we propose a 3D Neural Additive Model for Interpretable Shape Representation (NAISR) which describes individual shapes by deforming a shape atlas in accordance to the effect of disentangled covariates. Our approach captures shape population trends and allows for patient-specific predictions through shape transfer. NAISR is the first approach to combine the benefits of deep implicit shape representations with an atlas deforming according to specified covariates. We evaluate NAISR with respect to shape reconstruction, shape disentanglement, shape evolution, and shape transfer on three datasets: 1) Starman, a simulated 2D shape dataset; 2) the ADNI hippocampus 3D shape dataset; and 3) a pediatric airway 3D shape dataset. Our experiments demonstrate that Starman achieves excellent shape reconstruction performance while retaining interpretability. Our code is available at https://github.com/uncbiag/NAISR{https://github.com/uncbiag/NAISR}.

As the training of giant dense models hits the boundary on the availability and capability of the hardware resources today, Mixture-of-Experts (MoE) models become one of the most promising model architectures due to their significant training cost reduction compared to a quality-equivalent dense model. Its training cost saving is demonstrated from encoder-decoder models (prior works) to a 5x saving for auto-aggressive language models (this work along with parallel explorations). However, due to the much larger model size and unique architecture, how to provide fast MoE model inference remains challenging and unsolved, limiting its practical usage. To tackle this, we present DeepSpeed-MoE, an end-to-end MoE training and inference solution as part of the DeepSpeed library, including novel MoE architecture designs and model compression techniques that reduce MoE model size by up to 3.7x, and a highly optimized inference system that provides 7.3x better latency and cost compared to existing MoE inference solutions. DeepSpeed-MoE offers an unprecedented scale and efficiency to serve massive MoE models with up to 4.5x faster and 9x cheaper inference compared to quality-equivalent dense models. We hope our innovations and systems help open a promising path to new directions in the large model landscape, a shift from dense to sparse MoE models, where training and deploying higher-quality models with fewer resources becomes more widely possible.

Over the last decade, Convolutional Neural Network (CNN) models have been highly successful in solving complex vision problems. However, these deep models are perceived as "black box" methods considering the lack of understanding of their internal functioning. There has been a significant recent interest in developing explainable deep learning models, and this paper is an effort in this direction. Building on a recently proposed method called Grad-CAM, we propose a generalized method called Grad-CAM++ that can provide better visual explanations of CNN model predictions, in terms of better object localization as well as explaining occurrences of multiple object instances in a single image, when compared to state-of-the-art. We provide a mathematical derivation for the proposed method, which uses a weighted combination of the positive partial derivatives of the last convolutional layer feature maps with respect to a specific class score as weights to generate a visual explanation for the corresponding class label. Our extensive experiments and evaluations, both subjective and objective, on standard datasets showed that Grad-CAM++ provides promising human-interpretable visual explanations for a given CNN architecture across multiple tasks including classification, image caption generation and 3D action recognition; as well as in new settings such as knowledge distillation.

The diffusion transformer (DiT) architecture has attracted significant attention in image generation, achieving better fidelity, performance, and diversity. However, most existing DiT - based image generation methods focus on global - aware synthesis, and regional prompt control has been less explored. In this paper, we propose a coarse - to - fine generation pipeline for regional prompt - following generation. Specifically, we first utilize the powerful large language model (LLM) to generate both high - level descriptions of the image (such as content, topic, and objects) and low - level descriptions (such as details and style). Then, we explore the influence of cross - attention layers at different depths. We find that deeper layers are always responsible for high - level content control, while shallow layers handle low - level content control. Various prompts are injected into the proposed regional cross - attention control for coarse - to - fine generation. By using the proposed pipeline, we enhance the controllability of DiT - based image generation. Extensive quantitative and qualitative results show that our pipeline can improve the performance of the generated images.

Mixture-of-Experts (MoE) is a neural network architecture that adds sparsely activated expert blocks to a base model, increasing the number of parameters without impacting computational costs. However, current distributed deep learning frameworks are limited in their ability to train high-quality MoE models with large base models. In this work, we present DeepSpeed-TED, a novel, three-dimensional, hybrid parallel algorithm that combines data, tensor, and expert parallelism to enable the training of MoE models with 4 to 8x larger base models than the current state-of-the-art. We also describe memory optimizations in the optimizer step, and communication optimizations that eliminate unnecessary data movement. We implement our approach in DeepSpeed and achieve speedups of 26% over a baseline (i.e. without our communication optimizations) when training a 40 billion parameter MoE model (6.7 billion base model with 16 experts) on 128 V100 GPUs.

We introduce Chunk-Distilled Language Modeling (CD-LM), an approach to text generation that addresses two challenges in current large language models (LLMs): the inefficiency of token-level generation, and the difficulty of adapting to new data and knowledge. Our method combines deep network-based LLMs with a straightforward retrieval module, which allows the generation of multi-token text chunks at a single decoding step. Our retrieval framework enables flexible construction of model- or domain-specific datastores, either leveraging the internal knowledge of existing models, or incorporating expert insights from human-annotated corpora. This adaptability allows for enhanced control over the language model's distribution without necessitating additional training. We present the CD-LM formulation along with performance metrics demonstrating its ability to improve language model performance and efficiency across a diverse set of downstream tasks. Code and data will be made publicly available.

Inspired by the long-range modeling ability of ViTs, large-kernel convolutions are widely studied and adopted recently to enlarge the receptive field and improve model performance, like the remarkable work ConvNeXt which employs 7x7 depthwise convolution. Although such depthwise operator only consumes a few FLOPs, it largely harms the model efficiency on powerful computing devices due to the high memory access costs. For example, ConvNeXt-T has similar FLOPs with ResNet-50 but only achieves 60% throughputs when trained on A100 GPUs with full precision. Although reducing the kernel size of ConvNeXt can improve speed, it results in significant performance degradation. It is still unclear how to speed up large-kernel-based CNN models while preserving their performance. To tackle this issue, inspired by Inceptions, we propose to decompose large-kernel depthwise convolution into four parallel branches along channel dimension, i.e. small square kernel, two orthogonal band kernels, and an identity mapping. With this new Inception depthwise convolution, we build a series of networks, namely IncepitonNeXt, which not only enjoy high throughputs but also maintain competitive performance. For instance, InceptionNeXt-T achieves 1.6x higher training throughputs than ConvNeX-T, as well as attains 0.2% top-1 accuracy improvement on ImageNet-1K. We anticipate InceptionNeXt can serve as an economical baseline for future architecture design to reduce carbon footprint. Code is available at https://github.com/sail-sg/inceptionnext.

Pre-training on large-scale, high-quality datasets is crucial for enhancing the reasoning capabilities of Large Language Models (LLMs), especially in specialized domains such as mathematics. Despite the recognized importance, the Multimodal LLMs (MLLMs) field currently lacks a comprehensive open-source pre-training dataset specifically designed for mathematical reasoning. To address this gap, we introduce InfiMM-WebMath-40B, a high-quality dataset of interleaved image-text documents. It comprises 24 million web pages, 85 million associated image URLs, and 40 billion text tokens, all meticulously extracted and filtered from CommonCrawl. We provide a detailed overview of our data collection and processing pipeline. To demonstrate the robustness of InfiMM-WebMath-40B, we conducted evaluations in both text-only and multimodal settings. Our evaluations on text-only benchmarks show that, despite utilizing only 40 billion tokens, our dataset significantly enhances the performance of our 1.3B model, delivering results comparable to DeepSeekMath-1.3B, which uses 120 billion tokens for the same model size. Nevertheless, with the introduction of our multi-modal math pre-training dataset, our models set a new state-of-the-art among open-source models on multi-modal math benchmarks such as MathVerse and We-Math. We release our data at https://huggingface.co/datasets/Infi-MM/InfiMM-WebMath-40B.

We propose a general framework called Text Modular Networks(TMNs) for building interpretable systems that learn to solve complex tasks by decomposing them into simpler ones solvable by existing models. To ensure solvability of simpler tasks, TMNs learn the textual input-output behavior (i.e., language) of existing models through their datasets. This differs from prior decomposition-based approaches which, besides being designed specifically for each complex task, produce decompositions independent of existing sub-models. Specifically, we focus on Question Answering (QA) and show how to train a next-question generator to sequentially produce sub-questions targeting appropriate sub-models, without additional human annotation. These sub-questions and answers provide a faithful natural language explanation of the model's reasoning. We use this framework to build ModularQA, a system that can answer multi-hop reasoning questions by decomposing them into sub-questions answerable by a neural factoid single-span QA model and a symbolic calculator. Our experiments show that ModularQA is more versatile than existing explainable systems for DROP and HotpotQA datasets, is more robust than state-of-the-art blackbox (uninterpretable) systems, and generates more understandable and trustworthy explanations compared to prior work.

Knowledge bases (KBs) and text often contain complementary knowledge: KBs store structured knowledge that can support long range reasoning, while text stores more comprehensive and timely knowledge in an unstructured way. Separately embedding the individual knowledge sources into vector spaces has demonstrated tremendous successes in encoding the respective knowledge, but how to jointly embed and reason with both knowledge sources to fully leverage the complementary information is still largely an open problem. We conduct a large-scale, systematic investigation of aligning KB and text embeddings for joint reasoning. We set up a novel evaluation framework with two evaluation tasks, few-shot link prediction and analogical reasoning, and evaluate an array of KB-text embedding alignment methods. We also demonstrate how such alignment can infuse textual information into KB embeddings for more accurate link prediction on emerging entities and events, using COVID-19 as a case study.

Deep learning-based vision is characterized by intricate frameworks that often necessitate a profound understanding, presenting a barrier to newcomers and limiting broad adoption. With many researchers grappling with the constraints of smaller datasets, there's a pronounced reliance on pre-trained neural networks, especially for tasks such as image classification. This reliance is further intensified in niche imaging areas where obtaining vast datasets is challenging. Despite the widespread use of transfer learning as a remedy to the small dataset dilemma, a conspicuous absence of tailored auto-ML solutions persists. Addressing these challenges is "Deep Fast Vision", a python library that streamlines the deep learning process. This tool offers a user-friendly experience, enabling results through a simple nested dictionary definition, helping to democratize deep learning for non-experts. Designed for simplicity and scalability, Deep Fast Vision appears as a bridge, connecting the complexities of existing deep learning frameworks with the needs of a diverse user base.

We present SDXL, a latent diffusion model for text-to-image synthesis. Compared to previous versions of Stable Diffusion, SDXL leverages a three times larger UNet backbone: The increase of model parameters is mainly due to more attention blocks and a larger cross-attention context as SDXL uses a second text encoder. We design multiple novel conditioning schemes and train SDXL on multiple aspect ratios. We also introduce a refinement model which is used to improve the visual fidelity of samples generated by SDXL using a post-hoc image-to-image technique. We demonstrate that SDXL shows drastically improved performance compared the previous versions of Stable Diffusion and achieves results competitive with those of black-box state-of-the-art image generators. In the spirit of promoting open research and fostering transparency in large model training and evaluation, we provide access to code and model weights at https://github.com/Stability-AI/generative-models

We propose Deep Feature Factorization (DFF), a method capable of localizing similar semantic concepts within an image or a set of images. We use DFF to gain insight into a deep convolutional neural network's learned features, where we detect hierarchical cluster structures in feature space. This is visualized as heat maps, which highlight semantically matching regions across a set of images, revealing what the network `perceives' as similar. DFF can also be used to perform co-segmentation and co-localization, and we report state-of-the-art results on these tasks.

We show that both an LSTM and a unitary-evolution recurrent neural network (URN) can achieve encouraging accuracy on two types of syntactic patterns: context-free long distance agreement, and mildly context-sensitive cross serial dependencies. This work extends recent experiments on deeply nested context-free long distance dependencies, with similar results. URNs differ from LSTMs in that they avoid non-linear activation functions, and they apply matrix multiplication to word embeddings encoded as unitary matrices. This permits them to retain all information in the processing of an input string over arbitrary distances. It also causes them to satisfy strict compositionality. URNs constitute a significant advance in the search for explainable models in deep learning applied to NLP.

Multimodal large language models (MLLMs) exhibit impressive capabilities but still face challenges in complex visual reasoning. While recent efforts attempt to enhance MLLMs' reasoning by incorporating OpenAI o1-like structured thinking through explicit search structures or teacher-guided distillation, they often struggle to balance performance and efficiency. A critical limitation is their heavy reliance on extensive data and search spaces, resulting in low-efficiency implicit insight extraction and data utilization. To address this, we propose AStar, an Automated Structured thinking paradigm for multimodal reasoning via Monte Carlo Tree Search (MCTS). AStar automatically derives high-level cognitive reasoning patterns from limited data using MCTS-powered hierarchical structures. Building on these explicit patterns, we design a unified reasoning framework that seamlessly integrates models' internal reasoning capabilities and external reasoning guidelines, enabling efficient inference with minimal tree iterations. This novel paradigm strikes a compelling balance between performance and efficiency. Extensive experiments demonstrate AStar's effectiveness, achieving superior accuracy (54.0%) on the MathVerse benchmark with a 7B backbone, surpassing GPT-4o (50.2%) while maintaining substantial data and computational efficiency.

Despite the significant recent progress in deep generative models, the underlying structure of their latent spaces is still poorly understood, thereby making the task of performing semantically meaningful latent traversals an open research challenge. Most prior work has aimed to solve this challenge by modeling latent structures linearly, and finding corresponding linear directions which result in `disentangled' generations. In this work, we instead propose to model latent structures with a learned dynamic potential landscape, thereby performing latent traversals as the flow of samples down the landscape's gradient. Inspired by physics, optimal transport, and neuroscience, these potential landscapes are learned as physically realistic partial differential equations, thereby allowing them to flexibly vary over both space and time. To achieve disentanglement, multiple potentials are learned simultaneously, and are constrained by a classifier to be distinct and semantically self-consistent. Experimentally, we demonstrate that our method achieves both more qualitatively and quantitatively disentangled trajectories than state-of-the-art baselines. Further, we demonstrate that our method can be integrated as a regularization term during training, thereby acting as an inductive bias towards the learning of structured representations, ultimately improving model likelihood on similarly structured data.

Latent factor models are the driving forces of the state-of-the-art recommender systems, with an important insight of vectorizing raw input features into dense embeddings. The dimensions of different feature embeddings are often set to a same value empirically, which limits the predictive performance of latent factor models. Existing works have proposed heuristic or reinforcement learning-based methods to search for mixed feature embedding dimensions. For efficiency concern, these methods typically choose embedding dimensions from a restricted set of candidate dimensions. However, this restriction will hurt the flexibility of dimension selection, leading to suboptimal performance of search results. In this paper, we propose Differentiable Neural Input Search (DNIS), a method that searches for mixed feature embedding dimensions in a more flexible space through continuous relaxation and differentiable optimization. The key idea is to introduce a soft selection layer that controls the significance of each embedding dimension, and optimize this layer according to model's validation performance. DNIS is model-agnostic and thus can be seamlessly incorporated with existing latent factor models for recommendation. We conduct experiments with various architectures of latent factor models on three public real-world datasets for rating prediction, Click-Through-Rate (CTR) prediction, and top-k item recommendation. The results demonstrate that our method achieves the best predictive performance compared with existing neural input search approaches with fewer embedding parameters and less time cost.

Text-guided diffusion models (TDMs) are widely applied but can fail unexpectedly. Common failures include: (i) natural-looking text prompts generating images with the wrong content, or (ii) different random samples of the latent variables that generate vastly different, and even unrelated, outputs despite being conditioned on the same text prompt. In this work, we aim to study and understand the failure modes of TDMs in more detail. To achieve this, we propose SAGE, the first adversarial search method on TDMs that systematically explores the discrete prompt space and the high-dimensional latent space, to automatically discover undesirable behaviors and failure cases in image generation. We use image classifiers as surrogate loss functions during searching, and employ human inspections to validate the identified failures. For the first time, our method enables efficient exploration of both the discrete and intricate human language space and the challenging latent space, overcoming the gradient vanishing problem. Then, we demonstrate the effectiveness of SAGE on five widely used generative models and reveal four typical failure modes: (1) We find a variety of natural text prompts that generate images failing to capture the semantics of input texts. We further discuss the underlying causes and potential solutions based on the results. (2) We find regions in the latent space that lead to distorted images independent of the text prompt, suggesting that parts of the latent space are not well-structured. (3) We also find latent samples that result in natural-looking images unrelated to the text prompt, implying a possible misalignment between the latent and prompt spaces. (4) By appending a single adversarial token embedding to any input prompts, we can generate a variety of specified target objects. Project page: https://sage-diffusion.github.io/

In recent years, there has been a significant surge of interest in unifying image comprehension and generation within Large Language Models (LLMs). This growing interest has prompted us to explore extending this unification to videos. The core challenge lies in developing a versatile video tokenizer that captures both the spatial characteristics and temporal dynamics of videos to obtain representations for LLMs, and the representations can be further decoded into realistic video clips to enable video generation. In this work, we introduce Divot, a Diffusion-Powered Video Tokenizer, which leverages the diffusion process for self-supervised video representation learning. We posit that if a video diffusion model can effectively de-noise video clips by taking the features of a video tokenizer as the condition, then the tokenizer has successfully captured robust spatial and temporal information. Additionally, the video diffusion model inherently functions as a de-tokenizer, decoding videos from their representations. Building upon the Divot tokenizer, we present Divot-Vicuna through video-to-text autoregression and text-to-video generation by modeling the distributions of continuous-valued Divot features with a Gaussian Mixture Model. Experimental results demonstrate that our diffusion-based video tokenizer, when integrated with a pre-trained LLM, achieves competitive performance across various video comprehension and generation benchmarks. The instruction tuned Divot-Vicuna also excels in video storytelling, generating interleaved narratives and corresponding videos.

The conventional training approach for image captioning involves pre-training a network using teacher forcing and subsequent fine-tuning with Self-Critical Sequence Training to maximize hand-crafted captioning metrics. However, when attempting to optimize modern and higher-quality metrics like CLIP-Score and PAC-Score, this training method often encounters instability and fails to acquire the genuine descriptive capabilities needed to produce fluent and informative captions. In this paper, we propose a new training paradigm termed Direct CLIP-Based Optimization (DiCO). Our approach jointly learns and optimizes a reward model that is distilled from a learnable captioning evaluator with high human correlation. This is done by solving a weighted classification problem directly inside the captioner. At the same time, DiCO prevents divergence from the original model, ensuring that fluency is maintained. DiCO not only exhibits improved stability and enhanced quality in the generated captions but also aligns more closely with human preferences compared to existing methods, especially in modern metrics. Additionally, it maintains competitive performance in traditional metrics. Our source code and trained models are publicly available at https://github.com/aimagelab/DiCO.

Transformer tends to overallocate attention to irrelevant context. In this work, we introduce Diff Transformer, which amplifies attention to the relevant context while canceling noise. Specifically, the differential attention mechanism calculates attention scores as the difference between two separate softmax attention maps. The subtraction cancels noise, promoting the emergence of sparse attention patterns. Experimental results on language modeling show that Diff Transformer outperforms Transformer in various settings of scaling up model size and training tokens. More intriguingly, it offers notable advantages in practical applications, such as long-context modeling, key information retrieval, hallucination mitigation, in-context learning, and reduction of activation outliers. By being less distracted by irrelevant context, Diff Transformer can mitigate hallucination in question answering and text summarization. For in-context learning, Diff Transformer not only enhances accuracy but is also more robust to order permutation, which was considered as a chronic robustness issue. The results position Diff Transformer as a highly effective and promising architecture to advance large language models.

Reasoning is a fundamental capability of Large Language Models. While prior research predominantly focuses on enhancing narrow skills like math or code generation, improving performance on many other reasoning tasks remains challenging due to sparse and fragmented training data. To address this issue, we propose CodeI/O, a novel approach that systematically condenses diverse reasoning patterns inherently embedded in contextually-grounded codes, through transforming the original code into a code input-output prediction format. By training models to predict inputs/outputs given code and test cases entirely in natural language as Chain-of-Thought (CoT) rationales, we expose them to universal reasoning primitives -- like logic flow planning, state-space searching, decision tree traversal, and modular decomposition -- while decoupling structured reasoning from code-specific syntax and preserving procedural rigor. Experimental results demonstrate CodeI/O leads to consistent improvements across symbolic, scientific, logic, math & numerical, and commonsense reasoning tasks. By matching the existing ground-truth outputs or re-executing the code with predicted inputs, we can verify each prediction and further enhance the CoTs through multi-turn revision, resulting in CodeI/O++ and achieving higher performance. Our data and models are available at https://github.com/hkust-nlp/CodeIO.

The great success of Large Language Models (LLMs) has expanded the potential of multimodality, contributing to the gradual evolution of General Artificial Intelligence (AGI). A true AGI agent should not only possess the capability to perform predefined multi-tasks but also exhibit emergent abilities in an open-world context. However, despite the considerable advancements made by recent multimodal LLMs, they still fall short in effectively unifying comprehension and generation tasks, let alone open-world emergent abilities. We contend that the key to overcoming the present impasse lies in enabling text and images to be represented and processed interchangeably within a unified autoregressive Transformer. To this end, we introduce SEED, an elaborate image tokenizer that empowers LLMs with the ability to SEE and Draw at the same time. We identify two crucial design principles: (1) Image tokens should be independent of 2D physical patch positions and instead be produced with a 1D causal dependency, exhibiting intrinsic interdependence that aligns with the left-to-right autoregressive prediction mechanism in LLMs. (2) Image tokens should capture high-level semantics consistent with the degree of semantic abstraction in words, and be optimized for both discriminativeness and reconstruction during the tokenizer training phase. With SEED tokens, LLM is able to perform scalable multimodal autoregression under its original training recipe, i.e., next-word prediction. SEED-LLaMA is therefore produced by large-scale pretraining and instruction tuning on the interleaved textual and visual data, demonstrating impressive performance on a broad range of multimodal comprehension and generation tasks. More importantly, SEED-LLaMA has exhibited compositional emergent abilities such as multi-turn in-context multimodal generation, acting like your AI assistant.

Causality knowledge is vital to building robust AI systems. Deep learning models often perform poorly on tasks that require causal reasoning, which is often derived using some form of commonsense knowledge not immediately available in the input but implicitly inferred by humans. Prior work has unraveled spurious observational biases that models fall prey to in the absence of causality. While language representation models preserve contextual knowledge within learned embeddings, they do not factor in causal relationships during training. By blending causal relationships with the input features to an existing model that performs visual cognition tasks (such as scene understanding, video captioning, video question-answering, etc.), better performance can be achieved owing to the insight causal relationships bring about. Recently, several models have been proposed that have tackled the task of mining causal data from either the visual or textual modality. However, there does not exist widespread research that mines causal relationships by juxtaposing the visual and language modalities. While images offer a rich and easy-to-process resource for us to mine causality knowledge from, videos are denser and consist of naturally time-ordered events. Also, textual information offers details that could be implicit in videos. We propose iReason, a framework that infers visual-semantic commonsense knowledge using both videos and natural language captions. Furthermore, iReason's architecture integrates a causal rationalization module to aid the process of interpretability, error analysis and bias detection. We demonstrate the effectiveness of iReason using a two-pronged comparative analysis with language representation learning models (BERT, GPT-2) as well as current state-of-the-art multimodal causality models.

We propose a method to teach multiple large language models (LLM) to collaborate by interleaving their generations at the token level. We model the decision of which LLM generates the next token as a latent variable. By optimizing the marginal likelihood of a training set under our latent variable model, the base LLM automatically learns when to generate itself and when to call on one of the ``assistant'' language models to generate, all without direct supervision. Token-level collaboration during decoding allows for a fusion of each model's expertise in a manner tailored to the specific task at hand. Our collaborative decoding is especially useful in cross-domain settings where a generalist base LLM learns to invoke domain expert models. On instruction-following, domain-specific QA, and reasoning tasks, we show that the performance of the joint system exceeds that of the individual models. Through qualitative analysis of the learned latent decisions, we show models trained with our method exhibit several interesting collaboration patterns, e.g., template-filling. Our code is available at https://github.com/clinicalml/co-llm.

Visual recognition requires rich representations that span levels from low to high, scales from small to large, and resolutions from fine to coarse. Even with the depth of features in a convolutional network, a layer in isolation is not enough: compounding and aggregating these representations improves inference of what and where. Architectural efforts are exploring many dimensions for network backbones, designing deeper or wider architectures, but how to best aggregate layers and blocks across a network deserves further attention. Although skip connections have been incorporated to combine layers, these connections have been "shallow" themselves, and only fuse by simple, one-step operations. We augment standard architectures with deeper aggregation to better fuse information across layers. Our deep layer aggregation structures iteratively and hierarchically merge the feature hierarchy to make networks with better accuracy and fewer parameters. Experiments across architectures and tasks show that deep layer aggregation improves recognition and resolution compared to existing branching and merging schemes. The code is at https://github.com/ucbdrive/dla.

Techniques enabling large language models (LLMs) to "think more" by generating and attending to intermediate reasoning steps have shown promise in solving complex problems. However, the standard approaches generate sequences of discrete tokens immediately before responding, and so they can incur significant latency costs and be challenging to optimize. In this work, we demonstrate that a frozen LLM can be augmented with an offline coprocessor that operates on the model's key-value (kv) cache. This coprocessor augments the cache with a set of latent embeddings designed to improve the fidelity of subsequent decoding. We train this coprocessor using the language modeling loss from the decoder on standard pretraining data, while keeping the decoder itself frozen. This approach enables the model to learn, in an end-to-end differentiable fashion, how to distill additional computation into its kv-cache. Because the decoder remains unchanged, the coprocessor can operate offline and asynchronously, and the language model can function normally if the coprocessor is unavailable or if a given cache is deemed not to require extra computation. We show experimentally that when a cache is augmented, the decoder achieves lower perplexity on numerous subsequent tokens. Furthermore, even without any task-specific training, our experiments demonstrate that cache augmentation consistently reduces perplexity and improves performance across a range of reasoning-intensive tasks.

Large language models (LLMs) such as GPT-4 sometimes appear to be creative, solving novel tasks often with a few demonstrations in the prompt. These tasks require the models to generalize on distributions different from those from training data -- which is known as out-of-distribution (OOD) generalization. Despite the tremendous success of LLMs, how they approach OOD generalization remains an open and underexplored question. We examine OOD generalization in settings where instances are generated according to hidden rules, including in-context learning with symbolic reasoning. Models are required to infer the hidden rules behind input prompts without any fine-tuning. We empirically examined the training dynamics of Transformers on a synthetic example and conducted extensive experiments on a variety of pretrained LLMs, focusing on a type of components known as induction heads. We found that OOD generalization and composition are tied together -- models can learn rules by composing two self-attention layers, thereby achieving OOD generalization. Furthermore, a shared latent subspace in the embedding (or feature) space acts as a bridge for composition by aligning early layers and later layers, which we refer to as the common bridge representation hypothesis.

In-context learning (ICL) facilitates large language models (LLMs) exhibiting spectacular emergent capabilities in various scenarios. Unfortunately, introducing demonstrations easily makes the prompt length explode, bringing a significant burden to hardware. In addition, random demonstrations usually achieve limited improvements in ICL, necessitating demonstration selection among accessible candidates. Previous studies introduce extra modules to perform demonstration compression or selection independently. In this paper, we propose an ICL framework UniICL, which Unifies demonstration selection and compression, and final response generation via a single frozen LLM. Specifically, UniICL first projects actual demonstrations and inference text inputs into short virtual tokens, respectively. Then, virtual tokens are applied to select suitable demonstrations by measuring semantic similarity within latent space among candidate demonstrations and inference input. Finally, inference text inputs together with selected virtual demonstrations are fed into the same frozen LLM for response generation. Notably, UniICL is a parameter-efficient framework that only contains 17M trainable parameters originating from the projection layer. We conduct experiments and analysis over in- and out-domain datasets of both generative and understanding tasks, encompassing ICL scenarios with plentiful and limited demonstration candidates. Results show that UniICL effectively unifies 12 times compression, demonstration selection, and response generation, efficiently scaling up the baseline from 4-shot to 64-shot ICL in IMDb with 24 GB CUDA allocation

We present Diffusion Model Patching (DMP), a simple method to boost the performance of pre-trained diffusion models that have already reached convergence, with a negligible increase in parameters. DMP inserts a small, learnable set of prompts into the model's input space while keeping the original model frozen. The effectiveness of DMP is not merely due to the addition of parameters but stems from its dynamic gating mechanism, which selects and combines a subset of learnable prompts at every step of the generative process (e.g., reverse denoising steps). This strategy, which we term "mixture-of-prompts", enables the model to draw on the distinct expertise of each prompt, essentially "patching" the model's functionality at every step with minimal yet specialized parameters. Uniquely, DMP enhances the model by further training on the same dataset on which it was originally trained, even in a scenario where significant improvements are typically not expected due to model convergence. Experiments show that DMP significantly enhances the converged FID of DiT-L/2 on FFHQ 256x256 by 10.38%, achieved with only a 1.43% parameter increase and 50K additional training iterations.

Large Language Models (LLMs) have exhibited remarkable performance on reasoning tasks. They utilize autoregressive token generation to construct reasoning trajectories, enabling the development of a coherent chain of thought. In this work, we explore the impact of individual tokens on the final outcomes of reasoning tasks. We identify the existence of ``critical tokens'' that lead to incorrect reasoning trajectories in LLMs. Specifically, we find that LLMs tend to produce positive outcomes when forced to decode other tokens instead of critical tokens. Motivated by this observation, we propose a novel approach - cDPO - designed to automatically recognize and conduct token-level rewards for the critical tokens during the alignment process. Specifically, we develop a contrastive estimation approach to automatically identify critical tokens. It is achieved by comparing the generation likelihood of positive and negative models. To achieve this, we separately fine-tune the positive and negative models on various reasoning trajectories, consequently, they are capable of identifying identify critical tokens within incorrect trajectories that contribute to erroneous outcomes. Moreover, to further align the model with the critical token information during the alignment process, we extend the conventional DPO algorithms to token-level DPO and utilize the differential likelihood from the aforementioned positive and negative model as important weight for token-level DPO learning.Experimental results on GSM8K and MATH500 benchmarks with two-widely used models Llama-3 (8B and 70B) and deepseek-math (7B) demonstrate the effectiveness of the propsoed approach cDPO.

There has been increasing research interest in building unified multimodal understanding and generation models, among which Show-o stands as a notable representative, demonstrating great promise for both text-to-image and image-to-text generation. The inference of Show-o involves progressively denoising image tokens and autoregressively decoding text tokens, and hence, unfortunately, suffers from inefficiency issues from both sides. This paper introduces Show-o Turbo to bridge the gap. We first identify a unified denoising perspective for the generation of images and text in Show-o based on the parallel decoding of text tokens. We then propose to extend consistency distillation (CD), a qualified approach for shortening the denoising process of diffusion models, to the multimodal denoising trajectories of Show-o. We introduce a trajectory segmentation strategy and a curriculum learning procedure to improve the training convergence. Empirically, in text-to-image generation, Show-o Turbo displays a GenEval score of 0.625 at 4 sampling steps without using classifier-free guidance (CFG), outperforming that of the original Show-o with 8 steps and CFG; in image-to-text generation, Show-o Turbo exhibits a 1.5x speedup without significantly sacrificing performance. The code is available at https://github.com/zhijie-group/Show-o-Turbo.

In this paper, we introduce PixArt-\Sigma, a Diffusion Transformer model~(DiT) capable of directly generating images at 4K resolution. PixArt-\Sigma represents a significant advancement over its predecessor, PixArt-\alpha, offering images of markedly higher fidelity and improved alignment with text prompts. A key feature of PixArt-\Sigma is its training efficiency. Leveraging the foundational pre-training of PixArt-\alpha, it evolves from the `weaker' baseline to a `stronger' model via incorporating higher quality data, a process we term "weak-to-strong training". The advancements in PixArt-\Sigma are twofold: (1) High-Quality Training Data: PixArt-\Sigma incorporates superior-quality image data, paired with more precise and detailed image captions. (2) Efficient Token Compression: we propose a novel attention module within the DiT framework that compresses both keys and values, significantly improving efficiency and facilitating ultra-high-resolution image generation. Thanks to these improvements, PixArt-\Sigma achieves superior image quality and user prompt adherence capabilities with significantly smaller model size (0.6B parameters) than existing text-to-image diffusion models, such as SDXL (2.6B parameters) and SD Cascade (5.1B parameters). Moreover, PixArt-\Sigma's capability to generate 4K images supports the creation of high-resolution posters and wallpapers, efficiently bolstering the production of high-quality visual content in industries such as film and gaming.

Recent studies have introduced a new class of generative models for synthesizing implicit neural representations (INRs) that capture arbitrary continuous signals in various domains. These models opened the door for domain-agnostic generative models, but they often fail to achieve high-quality generation. We observed that the existing methods generate the weights of neural networks to parameterize INRs and evaluate the network with fixed positional embeddings (PEs). Arguably, this architecture limits the expressive power of generative models and results in low-quality INR generation. To address this limitation, we propose Domain-agnostic Latent Diffusion Model for INRs (DDMI) that generates adaptive positional embeddings instead of neural networks' weights. Specifically, we develop a Discrete-to-continuous space Variational AutoEncoder (D2C-VAE), which seamlessly connects discrete data and the continuous signal functions in the shared latent space. Additionally, we introduce a novel conditioning mechanism for evaluating INRs with the hierarchically decomposed PEs to further enhance expressive power. Extensive experiments across four modalities, e.g., 2D images, 3D shapes, Neural Radiance Fields, and videos, with seven benchmark datasets, demonstrate the versatility of DDMI and its superior performance compared to the existing INR generative models.

Despite Multi-modal Large Language Models (MM-LLMs) have made exciting strides recently, they are still struggling to efficiently model the interactions among multi-modal inputs and the generation in non-textual modalities. In this work, we propose TEAL (Tokenize and Embed ALl)}, an approach to treat the input from any modality as a token sequence and learn a joint embedding space for all modalities. Specifically, for the input from any modality, TEAL first discretizes it into a token sequence with the off-the-shelf tokenizer and embeds the token sequence into a joint embedding space with a learnable embedding matrix. MM-LLMs just need to predict the multi-modal tokens autoregressively as the textual LLMs do. Finally, the corresponding de-tokenizer is applied to generate the output in each modality based on the predicted token sequence. With the joint embedding space, TEAL enables the frozen LLMs to perform both understanding and generation tasks involving non-textual modalities, such as image and audio. Thus, the textual LLM can just work as an interface and maintain its high performance in textual understanding and generation. Experiments show that TEAL achieves substantial improvements in multi-modal understanding, and implements a simple scheme for multi-modal generations.

Textural Inversion, a prompt learning method, learns a singular embedding for a new "word" to represent image style and appearance, allowing it to be integrated into natural language sentences to generate novel synthesised images. However, identifying and integrating multiple object-level concepts within one scene poses significant challenges even when embeddings for individual concepts are attainable. This is further confirmed by our empirical tests. To address this challenge, we introduce a framework for Multi-Concept Prompt Learning (MCPL), where multiple new "words" are simultaneously learned from a single sentence-image pair. To enhance the accuracy of word-concept correlation, we propose three regularisation techniques: Attention Masking (AttnMask) to concentrate learning on relevant areas; Prompts Contrastive Loss (PromptCL) to separate the embeddings of different concepts; and Bind adjective (Bind adj.) to associate new "words" with known words. We evaluate via image generation, editing, and attention visualisation with diverse images. Extensive quantitative comparisons demonstrate that our method can learn more semantically disentangled concepts with enhanced word-concept correlation. Additionally, we introduce a novel dataset and evaluation protocol tailored for this new task of learning object-level concepts.