Daily Papers

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

We develop techniques to quantify the degree to which a given (training or testing) example is an outlier in the underlying distribution. We evaluate five methods to score examples in a dataset by how well-represented the examples are, for different plausible definitions of "well-represented", and apply these to four common datasets: MNIST, Fashion-MNIST, CIFAR-10, and ImageNet. Despite being independent approaches, we find all five are highly correlated, suggesting that the notion of being well-represented can be quantified. Among other uses, we find these methods can be combined to identify (a) prototypical examples (that match human expectations); (b) memorized training examples; and, (c) uncommon submodes of the dataset. Further, we show how we can utilize our metrics to determine an improved ordering for curriculum learning, and impact adversarial robustness. We release all metric values on training and test sets we studied.

We develop tools for explicitly constructing categories enriched over generating data and that compose via ordinary scalar and matrix arithmetic arithmetic operations. We characterize meaningful size maps, weightings, and magnitude that reveal features analogous to outliers that these same notions have previously been shown to reveal in the context of metric spaces. Throughout, we provide examples of such "outlier detection" relevant to the analysis of computer programs, neural networks, cyber-physical systems, and networks of communications channels.

It is important to detect anomalous inputs when deploying machine learning systems. The use of larger and more complex inputs in deep learning magnifies the difficulty of distinguishing between anomalous and in-distribution examples. At the same time, diverse image and text data are available in enormous quantities. We propose leveraging these data to improve deep anomaly detection by training anomaly detectors against an auxiliary dataset of outliers, an approach we call Outlier Exposure (OE). This enables anomaly detectors to generalize and detect unseen anomalies. In extensive experiments on natural language processing and small- and large-scale vision tasks, we find that Outlier Exposure significantly improves detection performance. We also observe that cutting-edge generative models trained on CIFAR-10 may assign higher likelihoods to SVHN images than to CIFAR-10 images; we use OE to mitigate this issue. We also analyze the flexibility and robustness of Outlier Exposure, and identify characteristics of the auxiliary dataset that improve performance.

The design of modern recommender systems relies on understanding which parts of the feature space are relevant for solving a given recommendation task. However, real-world data sets in this domain are often characterized by their large size, sparsity, and noise, making it challenging to identify meaningful signals. Feature ranking represents an efficient branch of algorithms that can help address these challenges by identifying the most informative features and facilitating the automated search for more compact and better-performing models (AutoML). We introduce OutRank, a system for versatile feature ranking and data quality-related anomaly detection. OutRank was built with categorical data in mind, utilizing a variant of mutual information that is normalized with regard to the noise produced by features of the same cardinality. We further extend the similarity measure by incorporating information on feature similarity and combined relevance. The proposed approach's feasibility is demonstrated by speeding up the state-of-the-art AutoML system on a synthetic data set with no performance loss. Furthermore, we considered a real-life click-through-rate prediction data set where it outperformed strong baselines such as random forest-based approaches. The proposed approach enables exploration of up to 300% larger feature spaces compared to AutoML-only approaches, enabling faster search for better models on off-the-shelf hardware.

Recent work has investigated the distributions of learned convolution filters through a large-scale study containing hundreds of heterogeneous image models. Surprisingly, on average, the distributions only show minor drifts in comparisons of various studied dimensions including the learned task, image domain, or dataset. However, among the studied image domains, medical imaging models appeared to show significant outliers through "spikey" distributions, and, therefore, learn clusters of highly specific filters different from other domains. Following this observation, we study the collected medical imaging models in more detail. We show that instead of fundamental differences, the outliers are due to specific processing in some architectures. Quite the contrary, for standardized architectures, we find that models trained on medical data do not significantly differ in their filter distributions from similar architectures trained on data from other domains. Our conclusions reinforce previous hypotheses stating that pre-training of imaging models can be done with any kind of diverse image data.

Autoencoders were widely used in many machine learning tasks thanks to their strong learning ability which has drawn great interest among researchers in the field of outlier detection. However, conventional autoencoder-based methods lacked considerations in two aspects. This limited their performance in outlier detection. First, the mean squared error used in conventional autoencoders ignored the judgment uncertainty of the autoencoder, which limited their representation ability. Second, autoencoders suffered from the abnormal reconstruction problem: some outliers can be unexpectedly reconstructed well, making them difficult to identify from the inliers. To mitigate the aforementioned issues, two novel methods were proposed in this paper. First, a novel loss function named Probabilistic Reconstruction Error (PRE) was constructed to factor in both reconstruction bias and judgment uncertainty. To further control the trade-off of these two factors, two weights were introduced in PRE producing Adjustable Probabilistic Reconstruction Error (APRE), which benefited the outlier detection in different applications. Second, a conceptually new outlier scoring method based on mean-shift (MSS) was proposed to reduce the false inliers caused by the autoencoder. Experiments on 32 real-world outlier detection datasets proved the effectiveness of the proposed methods. The combination of the proposed methods achieved 41% of the relative performance improvement compared to the best baseline. The MSS improved the performance of multiple autoencoder-based outlier detectors by an average of 20%. The proposed two methods have the potential to advance autoencoder's development in outlier detection. The code is available on www.OutlierNet.com for reproducibility.

Deep anomaly detection methods learn representations that separate between normal and anomalous images. Although self-supervised representation learning is commonly used, small dataset sizes limit its effectiveness. It was previously shown that utilizing external, generic datasets (e.g. ImageNet classification) can significantly improve anomaly detection performance. One approach is outlier exposure, which fails when the external datasets do not resemble the anomalies. We take the approach of transferring representations pre-trained on external datasets for anomaly detection. Anomaly detection performance can be significantly improved by fine-tuning the pre-trained representations on the normal training images. In this paper, we first demonstrate and analyze that contrastive learning, the most popular self-supervised learning paradigm cannot be naively applied to pre-trained features. The reason is that pre-trained feature initialization causes poor conditioning for standard contrastive objectives, resulting in bad optimization dynamics. Based on our analysis, we provide a modified contrastive objective, the Mean-Shifted Contrastive Loss. Our method is highly effective and achieves a new state-of-the-art anomaly detection performance including 98.6% ROC-AUC on the CIFAR-10 dataset.

As machine learning tasks continue to evolve, the trend has been to gather larger datasets and train increasingly larger models. While this has led to advancements in accuracy, it has also escalated computational costs to unsustainable levels. Addressing this, our work aims to strike a delicate balance between computational efficiency and model accuracy, a persisting challenge in the field. We introduce a novel method that employs core subset selection for reweighting, effectively optimizing both computational time and model performance. By focusing on a strategically selected coreset, our approach offers a robust representation, as it efficiently minimizes the influence of outliers. The re-calibrated weights are then mapped back to and propagated across the entire dataset. Our experimental results substantiate the effectiveness of this approach, underscoring its potential as a scalable and precise solution for model training.

Outlier detection is an important data mining task with numerous practical applications such as intrusion detection, credit card fraud detection, and video surveillance. However, given a specific complicated task with big data, the process of building a powerful deep learning based system for outlier detection still highly relies on human expertise and laboring trials. Although Neural Architecture Search (NAS) has shown its promise in discovering effective deep architectures in various domains, such as image classification, object detection, and semantic segmentation, contemporary NAS methods are not suitable for outlier detection due to the lack of intrinsic search space, unstable search process, and low sample efficiency. To bridge the gap, in this paper, we propose AutoOD, an automated outlier detection framework, which aims to search for an optimal neural network model within a predefined search space. Specifically, we firstly design a curiosity-guided search strategy to overcome the curse of local optimality. A controller, which acts as a search agent, is encouraged to take actions to maximize the information gain about the controller's internal belief. We further introduce an experience replay mechanism based on self-imitation learning to improve the sample efficiency. Experimental results on various real-world benchmark datasets demonstrate that the deep model identified by AutoOD achieves the best performance, comparing with existing handcrafted models and traditional search methods.

In computational social science (CSS), researchers analyze documents to explain social and political phenomena. In most scenarios, CSS researchers first obtain labels for documents and then explain labels using interpretable regression analyses in the second step. One increasingly common way to annotate documents cheaply at scale is through large language models (LLMs). However, like other scalable ways of producing annotations, such surrogate labels are often imperfect and biased. We present a new algorithm for using imperfect annotation surrogates for downstream statistical analyses while guaranteeing statistical properties -- like asymptotic unbiasedness and proper uncertainty quantification -- which are fundamental to CSS research. We show that direct use of surrogate labels in downstream statistical analyses leads to substantial bias and invalid confidence intervals, even with high surrogate accuracy of 80-90%. To address this, we build on debiased machine learning to propose the design-based supervised learning (DSL) estimator. DSL employs a doubly-robust procedure to combine surrogate labels with a smaller number of high-quality, gold-standard labels. Our approach guarantees valid inference for downstream statistical analyses, even when surrogates are arbitrarily biased and without requiring stringent assumptions, by controlling the probability of sampling documents for gold-standard labeling. Both our theoretical analysis and experimental results show that DSL provides valid statistical inference while achieving root mean squared errors comparable to existing alternatives that focus only on prediction without inferential guarantees.

We study the problem of classification with a reject option for a fixed predictor, applicable in natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong H-consistency guarantee. For evaluation, we choose the decontextualization task, and provide a manually-labelled dataset of 2mathord,000 examples. Our algorithm significantly outperforms the baselines considered, with a sim!!25% improvement in coverage when halving the error rate, which is only sim!! 3 % away from the theoretical limit.

We present the task description of the Detection and Classification of Acoustic Scenes and Events (DCASE) 2023 Challenge Task 2: ``First-shot unsupervised anomalous sound detection (ASD) for machine condition monitoring''. The main goal is to enable rapid deployment of ASD systems for new kinds of machines without the need for hyperparameter tuning. In the past ASD tasks, developed methods tuned hyperparameters for each machine type, as the development and evaluation datasets had the same machine types. However, collecting normal and anomalous data as the development dataset can be infeasible in practice. In 2023 Task 2, we focus on solving the first-shot problem, which is the challenge of training a model on a completely novel machine type. Specifically, (i) each machine type has only one section (a subset of machine type) and (ii) machine types in the development and evaluation datasets are completely different. Analysis of 86 submissions from 23 teams revealed that the keys to outperform baselines were: 1) sampling techniques for dealing with class imbalances across different domains and attributes, 2) generation of synthetic samples for robust detection, and 3) use of multiple large pre-trained models to extract meaningful embeddings for the anomaly detector.

Machine learning has demonstrated remarkable performance over finite datasets, yet whether the scores over the fixed benchmarks can sufficiently indicate the model's performance in the real world is still in discussion. In reality, an ideal robust model will probably behave similarly to the oracle (e.g., the human users), thus a good evaluation protocol is probably to evaluate the models' behaviors in comparison to the oracle. In this paper, we introduce a new robustness measurement that directly measures the image classification model's performance compared with a surrogate oracle (i.e., a foundation model). Besides, we design a simple method that can accomplish the evaluation beyond the scope of the benchmarks. Our method extends the image datasets with new samples that are sufficiently perturbed to be distinct from the ones in the original sets, but are still bounded within the same image-label structure the original test image represents, constrained by a foundation model pretrained with a large amount of samples. As a result, our new method will offer us a new way to evaluate the models' robustness performance, free of limitations of fixed benchmarks or constrained perturbations, although scoped by the power of the oracle. In addition to the evaluation results, we also leverage our generated data to understand the behaviors of the model and our new evaluation strategies.

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

Dataset summarisation is a fruitful approach to dataset inspection. However, when applied to a single dataset the discovery of visual concepts is restricted to those most prominent. We argue that a comparative approach can expand upon this paradigm to enable richer forms of dataset inspection that go beyond the most prominent concepts. To enable dataset comparison we present a module that learns concept-level prototypes across datasets. We leverage self-supervised learning to discover these prototypes without supervision, and we demonstrate the benefits of our approach in two case-studies. Our findings show that dataset comparison extends dataset inspection and we hope to encourage more works in this direction. Code and usage instructions available at https://github.com/Nanne/ProtoSim

An approach to the construction of classifiers from imbalanced datasets is described. A dataset is imbalanced if the classification categories are not approximately equally represented. Often real-world data sets are predominately composed of "normal" examples with only a small percentage of "abnormal" or "interesting" examples. It is also the case that the cost of misclassifying an abnormal (interesting) example as a normal example is often much higher than the cost of the reverse error. Under-sampling of the majority (normal) class has been proposed as a good means of increasing the sensitivity of a classifier to the minority class. This paper shows that a combination of our method of over-sampling the minority (abnormal) class and under-sampling the majority (normal) class can achieve better classifier performance (in ROC space) than only under-sampling the majority class. This paper also shows that a combination of our method of over-sampling the minority class and under-sampling the majority class can achieve better classifier performance (in ROC space) than varying the loss ratios in Ripper or class priors in Naive Bayes. Our method of over-sampling the minority class involves creating synthetic minority class examples. Experiments are performed using C4.5, Ripper and a Naive Bayes classifier. The method is evaluated using the area under the Receiver Operating Characteristic curve (AUC) and the ROC convex hull strategy.

Being able to spot defective parts is a critical component in large-scale industrial manufacturing. A particular challenge that we address in this work is the cold-start problem: fit a model using nominal (non-defective) example images only. While handcrafted solutions per class are possible, the goal is to build systems that work well simultaneously on many different tasks automatically. The best performing approaches combine embeddings from ImageNet models with an outlier detection model. In this paper, we extend on this line of work and propose PatchCore, which uses a maximally representative memory bank of nominal patch-features. PatchCore offers competitive inference times while achieving state-of-the-art performance for both detection and localization. On the challenging, widely used MVTec AD benchmark PatchCore achieves an image-level anomaly detection AUROC score of up to 99.6%, more than halving the error compared to the next best competitor. We further report competitive results on two additional datasets and also find competitive results in the few samples regime.^* Work done during a research internship at Amazon AWS. Code: github.com/amazon-research/patchcore-inspection.

Detecting out-of-distribution (OOD) samples is crucial for ensuring the safety of machine learning systems and has shaped the field of OOD detection. Meanwhile, several other problems are closely related to OOD detection, including anomaly detection (AD), novelty detection (ND), open set recognition (OSR), and outlier detection (OD). To unify these problems, a generalized OOD detection framework was proposed, taxonomically categorizing these five problems. However, Vision Language Models (VLMs) such as CLIP have significantly changed the paradigm and blurred the boundaries between these fields, again confusing researchers. In this survey, we first present a generalized OOD detection v2, encapsulating the evolution of AD, ND, OSR, OOD detection, and OD in the VLM era. Our framework reveals that, with some field inactivity and integration, the demanding challenges have become OOD detection and AD. In addition, we also highlight the significant shift in the definition, problem settings, and benchmarks; we thus feature a comprehensive review of the methodology for OOD detection, including the discussion over other related tasks to clarify their relationship to OOD detection. Finally, we explore the advancements in the emerging Large Vision Language Model (LVLM) era, such as GPT-4V. We conclude this survey with open challenges and future directions.

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

The chips contained in any electronic device are manufactured over circular silicon wafers, which are monitored by inspection machines at different production stages. Inspection machines detect and locate any defect within the wafer and return a Wafer Defect Map (WDM), i.e., a list of the coordinates where defects lie, which can be considered a huge, sparse, and binary image. In normal conditions, wafers exhibit a small number of randomly distributed defects, while defects grouped in specific patterns might indicate known or novel categories of failures in the production line. Needless to say, a primary concern of semiconductor industries is to identify these patterns and intervene as soon as possible to restore normal production conditions. Here we address WDM monitoring as an open-set recognition problem to accurately classify WDM in known categories and promptly detect novel patterns. In particular, we propose a comprehensive pipeline for wafer monitoring based on a Submanifold Sparse Convolutional Network, a deep architecture designed to process sparse data at an arbitrary resolution, which is trained on the known classes. To detect novelties, we define an outlier detector based on a Gaussian Mixture Model fitted on the latent representation of the classifier. Our experiments on a real dataset of WDMs show that directly processing full-resolution WDMs by Submanifold Sparse Convolutions yields superior classification performance on known classes than traditional Convolutional Neural Networks, which require a preliminary binning to reduce the size of the binary images representing WDMs. Moreover, our solution outperforms state-of-the-art open-set recognition solutions in detecting novelties.

When deploying machine learning models in high-stakes real-world environments such as health care, it is crucial to accurately assess the uncertainty concerning a model's prediction on abnormal inputs. However, there is a scarcity of literature analyzing this problem on medical data, especially on mixed-type tabular data such as Electronic Health Records. We close this gap by presenting a series of tests including a large variety of contemporary uncertainty estimation techniques, in order to determine whether they are able to identify out-of-distribution (OOD) patients. In contrast to previous work, we design tests on realistic and clinically relevant OOD groups, and run experiments on real-world medical data. We find that almost all techniques fail to achieve convincing results, partly disagreeing with earlier findings.

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

Modern machine learning relies on datasets to develop and validate research ideas. Given the growth of publicly available data, finding the right dataset to use is increasingly difficult. Any research question imposes explicit and implicit constraints on how well a given dataset will enable researchers to answer this question, such as dataset size, modality, and domain. We operationalize the task of recommending datasets given a short natural language description of a research idea, to help people find relevant datasets for their needs. Dataset recommendation poses unique challenges as an information retrieval problem; datasets are hard to directly index for search and there are no corpora readily available for this task. To facilitate this task, we build the DataFinder Dataset which consists of a larger automatically-constructed training set (17.5K queries) and a smaller expert-annotated evaluation set (392 queries). Using this data, we compare various information retrieval algorithms on our test set and present a superior bi-encoder retriever for text-based dataset recommendation. This system, trained on the DataFinder Dataset, finds more relevant search results than existing third-party dataset search engines. To encourage progress on dataset recommendation, we release our dataset and models to the public.

Test-time adaptation (TTA) aims to address the distribution shift between the training and test data with only unlabeled data at test time. Existing TTA methods often focus on improving recognition performance specifically for test data associated with classes in the training set. However, during the open-world inference process, there are inevitably test data instances from unknown classes, commonly referred to as outliers. This paper pays attention to the problem that conducts both sample recognition and outlier rejection during inference while outliers exist. To address this problem, we propose a new approach called STAble Memory rePlay (STAMP), which performs optimization over a stable memory bank instead of the risky mini-batch. In particular, the memory bank is dynamically updated by selecting low-entropy and label-consistent samples in a class-balanced manner. In addition, we develop a self-weighted entropy minimization strategy that assigns higher weight to low-entropy samples. Extensive results demonstrate that STAMP outperforms existing TTA methods in terms of both recognition and outlier detection performance. The code is released at https://github.com/yuyongcan/STAMP.

The striking fractal geometry of strange attractors underscores the generative nature of chaos: like probability distributions, chaotic systems can be repeatedly measured to produce arbitrarily-detailed information about the underlying attractor. Chaotic systems thus pose a unique challenge to modern statistical learning techniques, while retaining quantifiable mathematical properties that make them controllable and interpretable as benchmarks. Here, we present a growing database currently comprising 131 known chaotic dynamical systems spanning fields such as astrophysics, climatology, and biochemistry. Each system is paired with precomputed multivariate and univariate time series. Our dataset has comparable scale to existing static time series databases; however, our systems can be re-integrated to produce additional datasets of arbitrary length and granularity. Our dataset is annotated with known mathematical properties of each system, and we perform feature analysis to broadly categorize the diverse dynamics present across the collection. Chaotic systems inherently challenge forecasting models, and across extensive benchmarks we correlate forecasting performance with the degree of chaos present. We also exploit the unique generative properties of our dataset in several proof-of-concept experiments: surrogate transfer learning to improve time series classification, importance sampling to accelerate model training, and benchmarking symbolic regression algorithms.

We introduce two challenging datasets that reliably cause machine learning model performance to substantially degrade. The datasets are collected with a simple adversarial filtration technique to create datasets with limited spurious cues. Our datasets' real-world, unmodified examples transfer to various unseen models reliably, demonstrating that computer vision models have shared weaknesses. The first dataset is called ImageNet-A and is like the ImageNet test set, but it is far more challenging for existing models. We also curate an adversarial out-of-distribution detection dataset called ImageNet-O, which is the first out-of-distribution detection dataset created for ImageNet models. On ImageNet-A a DenseNet-121 obtains around 2% accuracy, an accuracy drop of approximately 90%, and its out-of-distribution detection performance on ImageNet-O is near random chance levels. We find that existing data augmentation techniques hardly boost performance, and using other public training datasets provides improvements that are limited. However, we find that improvements to computer vision architectures provide a promising path towards robust models.

A critical barrier to learning an accurate decision rule for outlier detection is the scarcity of outlier data. As such, practitioners often turn to the use of similar but imperfect outlier data from which they might transfer information to the target outlier detection task. Despite the recent empirical success of transfer learning approaches in outlier detection, a fundamental understanding of when and how knowledge can be transferred from a source to a target outlier detection task remains elusive. In this work, we adopt the traditional framework of Neyman-Pearson classification -- which formalizes supervised outlier detection -- with the added assumption that one has access to some related but imperfect outlier data. Our main results are as follows: We first determine the information-theoretic limits of the problem under a measure of discrepancy that extends some existing notions from traditional balanced classification; interestingly, unlike in balanced classification, seemingly very dissimilar sources can provide much information about a target, thus resulting in fast transfer. We then show that, in principle, these information-theoretic limits are achievable by adaptive procedures, i.e., procedures with no a priori information on the discrepancy between source and target outlier distributions.

Noise plagues many numerical datasets, where the recorded values in the data may fail to match the true underlying values due to reasons including: erroneous sensors, data entry/processing mistakes, or imperfect human estimates. We consider general regression settings with covariates and a potentially corrupted response whose observed values may contain errors. By accounting for various uncertainties, we introduced veracity scores that distinguish between genuine errors and natural data fluctuations, conditioned on the available covariate information in the dataset. We propose a simple yet efficient filtering procedure for eliminating potential errors, and establish theoretical guarantees for our method. We also contribute a new error detection benchmark involving 5 regression datasets with real-world numerical errors (for which the true values are also known). In this benchmark and additional simulation studies, our method identifies incorrect values with better precision/recall than other approaches.

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

Standard semantic segmentation models owe their success to curated datasets with a fixed set of semantic categories, without contemplating the possibility of identifying unknown objects from novel categories. Existing methods in outlier detection suffer from a lack of smoothness and objectness in their predictions, due to limitations of the per-pixel classification paradigm. Furthermore, additional training for detecting outliers harms the performance of known classes. In this paper, we explore another paradigm with region-level classification to better segment unknown objects. We show that the object queries in mask classification tend to behave like one \vs all classifiers. Based on this finding, we propose a novel outlier scoring function called RbA by defining the event of being an outlier as being rejected by all known classes. Our extensive experiments show that mask classification improves the performance of the existing outlier detection methods, and the best results are achieved with the proposed RbA. We also propose an objective to optimize RbA using minimal outlier supervision. Further fine-tuning with outliers improves the unknown performance, and unlike previous methods, it does not degrade the inlier performance.

We introduce four new real-world distribution shift datasets consisting of changes in image style, image blurriness, geographic location, camera operation, and more. With our new datasets, we take stock of previously proposed methods for improving out-of-distribution robustness and put them to the test. We find that using larger models and artificial data augmentations can improve robustness on real-world distribution shifts, contrary to claims in prior work. We find improvements in artificial robustness benchmarks can transfer to real-world distribution shifts, contrary to claims in prior work. Motivated by our observation that data augmentations can help with real-world distribution shifts, we also introduce a new data augmentation method which advances the state-of-the-art and outperforms models pretrained with 1000 times more labeled data. Overall we find that some methods consistently help with distribution shifts in texture and local image statistics, but these methods do not help with some other distribution shifts like geographic changes. Our results show that future research must study multiple distribution shifts simultaneously, as we demonstrate that no evaluated method consistently improves robustness.

In this paper, we introduce an approach for detecting modifications in assembled printed circuit boards based on photographs taken without tight control over perspective and illumination conditions. One instance of this problem is the visual inspection of gas pumps PCBs, which can be modified by fraudsters wishing to deceive costumers or evade taxes. Given the uncontrolled environment and the huge number of possible modifications, we address the problem as a case of anomaly detection, proposing an approach that is directed towards the characteristics of that scenario, while being well-suited for other similar applications. The proposed approach employs a deep convolutional autoencoder trained to reconstruct images of an unmodified board, but which remains unable to do the same for images showing modifications. By comparing the input image with its reconstruction, it is possible to segment anomalies and modifications in a pixel-wise manner. Experiments performed on a dataset built to represent real-world situations (and which we will make publicly available) show that our approach outperforms other state-of-the-art approaches for anomaly segmentation in the considered scenario, while producing comparable results on the popular MVTec-AD dataset for a more general object anomaly detection task.

Random projection is a common technique for designing algorithms in a variety of areas, including information retrieval, compressive sensing and measuring of outlyingness. In this work, the original random projection outlyingness measure is modified and associated with a neural network to obtain an unsupervised anomaly detection method able to handle multimodal normality. Theoretical and experimental arguments are presented to justify the choice of the anomaly score estimator. The performance of the proposed neural network approach is comparable to a state-of-the-art anomaly detection method. Experiments conducted on the MNIST, Fashion-MNIST and CIFAR-10 datasets show the relevance of the proposed approach.

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

Self-supervision provides effective representations for downstream tasks without requiring labels. However, existing approaches lag behind fully supervised training and are often not thought beneficial beyond obviating or reducing the need for annotations. We find that self-supervision can benefit robustness in a variety of ways, including robustness to adversarial examples, label corruption, and common input corruptions. Additionally, self-supervision greatly benefits out-of-distribution detection on difficult, near-distribution outliers, so much so that it exceeds the performance of fully supervised methods. These results demonstrate the promise of self-supervision for improving robustness and uncertainty estimation and establish these tasks as new axes of evaluation for future self-supervised learning research.

Many real-world scenarios in which DNN-based recognition systems are deployed have inherently fine-grained attributes (e.g., bird-species recognition, medical image classification). In addition to achieving reliable accuracy, a critical subtask for these models is to detect Out-of-distribution (OOD) inputs. Given the nature of the deployment environment, one may expect such OOD inputs to also be fine-grained w.r.t. the known classes (e.g., a novel bird species), which are thus extremely difficult to identify. Unfortunately, OOD detection in fine-grained scenarios remains largely underexplored. In this work, we aim to fill this gap by first carefully constructing four large-scale fine-grained test environments, in which existing methods are shown to have difficulties. Particularly, we find that even explicitly incorporating a diverse set of auxiliary outlier data during training does not provide sufficient coverage over the broad region where fine-grained OOD samples locate. We then propose Mixture Outlier Exposure (MixOE), which mixes ID data and training outliers to expand the coverage of different OOD granularities, and trains the model such that the prediction confidence linearly decays as the input transitions from ID to OOD. Extensive experiments and analyses demonstrate the effectiveness of MixOE for building up OOD detector in fine-grained environments. The code is available at https://github.com/zjysteven/MixOE.

Given a sample of size N, it is often useful to select a subsample of smaller size n<N to be used for statistical estimation or learning. Such a data selection step is useful to reduce the requirements of data labeling and the computational complexity of learning. We assume to be given N unlabeled samples {{boldsymbol x}_i}_{ile N}, and to be given access to a `surrogate model' that can predict labels y_i better than random guessing. Our goal is to select a subset of the samples, to be denoted by {{boldsymbol x}_i}_{iin G}, of size |G|=n<N. We then acquire labels for this set and we use them to train a model via regularized empirical risk minimization. By using a mixture of numerical experiments on real and synthetic data, and mathematical derivations under low- and high- dimensional asymptotics, we show that: (i)~Data selection can be very effective, in particular beating training on the full sample in some cases; (ii)~Certain popular choices in data selection methods (e.g. unbiased reweighted subsampling, or influence function-based subsampling) can be substantially suboptimal.

Using unlabeled data to regularize the machine learning models has demonstrated promise for improving safety and reliability in detecting out-of-distribution (OOD) data. Harnessing the power of unlabeled in-the-wild data is non-trivial due to the heterogeneity of both in-distribution (ID) and OOD data. This lack of a clean set of OOD samples poses significant challenges in learning an optimal OOD classifier. Currently, there is a lack of research on formally understanding how unlabeled data helps OOD detection. This paper bridges the gap by introducing a new learning framework SAL (Separate And Learn) that offers both strong theoretical guarantees and empirical effectiveness. The framework separates candidate outliers from the unlabeled data and then trains an OOD classifier using the candidate outliers and the labeled ID data. Theoretically, we provide rigorous error bounds from the lens of separability and learnability, formally justifying the two components in our algorithm. Our theory shows that SAL can separate the candidate outliers with small error rates, which leads to a generalization guarantee for the learned OOD classifier. Empirically, SAL achieves state-of-the-art performance on common benchmarks, reinforcing our theoretical insights. Code is publicly available at https://github.com/deeplearning-wisc/sal.

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

Diagnosing and cleaning data is a crucial step for building robust machine learning systems. However, identifying problems within large-scale datasets with real-world distributions is challenging due to the presence of complex issues such as label errors, under-representation, and outliers. In this paper, we propose a unified approach for identifying the problematic data by utilizing a largely ignored source of information: a relational structure of data in the feature-embedded space. To this end, we present scalable and effective algorithms for detecting label errors and outlier data based on the relational graph structure of data. We further introduce a visualization tool that provides contextual information of a data point in the feature-embedded space, serving as an effective tool for interactively diagnosing data. We evaluate the label error and outlier/out-of-distribution (OOD) detection performances of our approach on the large-scale image, speech, and language domain tasks, including ImageNet, ESC-50, and SST2. Our approach achieves state-of-the-art detection performance on all tasks considered and demonstrates its effectiveness in debugging large-scale real-world datasets across various domains. We release codes at https://github.com/snu-mllab/Neural-Relation-Graph.

One persistent obstacle in industrial quality inspection is the detection of anomalies. In real-world use cases, two problems must be addressed: anomalous data is sparse and the same types of anomalies need to be detected on previously unseen objects. Current anomaly detection approaches can be trained with sparse nominal data, whereas domain generalization approaches enable detecting objects in previously unseen domains. Utilizing those two observations, we introduce the hybrid task of domain generalization on sparse classes. To introduce an accompanying dataset for this task, we present a modification of the well-established MVTec AD dataset by generating three new datasets. In addition to applying existing methods for benchmark, we design two embedding-based approaches, Spatial Embedding MLP (SEMLP) and Labeled PatchCore. Overall, SEMLP achieves the best performance with an average image-level AUROC of 87.2 % vs. 80.4 % by MIRO. The new and openly available datasets allow for further research to improve industrial anomaly detection.

The lack of freely available standardized datasets represents an aggravating factor during the development and testing the performance of novel computational techniques in exposure assessment and dosimetry research. This hinders progress as researchers are required to generate numerical data (field, power and temperature distribution) anew using simulation software for each exposure scenario. Other than being time consuming, this approach is highly susceptible to errors that occur during the configuration of the electromagnetic model. To address this issue, in this paper, the limited available data on the incident power density and resultant maximum temperature rise on the skin surface considering various steady-state exposure scenarios at 10-90 GHz have been statistically modeled. The synthetic data have been sampled from the fitted statistical multivariate distribution with respect to predetermined dosimetric constraints. We thus present a comprehensive and open-source dataset compiled of the high-fidelity numerical data considering various exposures to a realistic source. Furthermore, different surrogate models for predicting maximum temperature rise on the skin surface were fitted based on the synthetic dataset. All surrogate models were tested on the originally available data where satisfactory predictive performance has been demonstrated. A simple technique of combining quadratic polynomial and tensor-product spline surrogates, each operating on its own cluster of data, has achieved the lowest mean absolute error of 0.058 {\deg}C. Therefore, overall experimental results indicate the validity of the proposed synthetic dataset.

The iMet 2020 dataset is a valuable resource in the space of fine-grained art attribution recognition, but we believe it has yet to reach its true potential. We document the unique properties of the dataset and observe that many of the attribute labels are noisy, more than is implied by the dataset description. Oftentimes, there are also semantic relationships between the labels (e.g., identical, mutual exclusion, subsumption, overlap with uncertainty) which we believe are underutilized. We propose an approach to cleaning and structuring the iMet 2020 labels, and discuss the implications and value of doing so. Further, we demonstrate the benefits of our proposed approach through several experiments. Our code and cleaned labels are available at https://github.com/sunniesuhyoung/iMet2020cleaned.

A crucial requirement for reliable deployment of deep learning models for safety-critical applications is the ability to identify out-of-distribution (OOD) data points, samples which differ from the training data and on which a model might underperform. Previous work has attempted to tackle this problem using uncertainty estimation techniques. However, there is empirical evidence that a large family of these techniques do not detect OOD reliably in classification tasks. This paper gives a theoretical explanation for said experimental findings and illustrates it on synthetic data. We prove that such techniques are not able to reliably identify OOD samples in a classification setting, since their level of confidence is generalized to unseen areas of the feature space. This result stems from the interplay between the representation of ReLU networks as piece-wise affine transformations, the saturating nature of activation functions like softmax, and the most widely-used uncertainty metrics.

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

Anomaly detection is the task of identifying examples that do not behave as expected. Because anomalies are rare and unexpected events, collecting real anomalous examples is often challenging in several applications. In addition, learning an anomaly detector with limited (or no) anomalies often yields poor prediction performance. One option is to employ auxiliary synthetic anomalies to improve the model training. However, synthetic anomalies may be of poor quality: anomalies that are unrealistic or indistinguishable from normal samples may deteriorate the detector's performance. Unfortunately, no existing methods quantify the quality of auxiliary anomalies. We fill in this gap and propose the expected anomaly posterior (EAP), an uncertainty-based score function that measures the quality of auxiliary anomalies by quantifying the total uncertainty of an anomaly detector. Experimentally on 40 benchmark datasets of images and tabular data, we show that EAP outperforms 12 adapted data quality estimators in the majority of cases.

We develop a method to generate predictive regions that cover a multivariate response variable with a user-specified probability. Our work is composed of two components. First, we use a deep generative model to learn a representation of the response that has a unimodal distribution. Existing multiple-output quantile regression approaches are effective in such cases, so we apply them on the learned representation, and then transform the solution to the original space of the response. This process results in a flexible and informative region that can have an arbitrary shape, a property that existing methods lack. Second, we propose an extension of conformal prediction to the multivariate response setting that modifies any method to return sets with a pre-specified coverage level. The desired coverage is theoretically guaranteed in the finite-sample case for any distribution. Experiments conducted on both real and synthetic data show that our method constructs regions that are significantly smaller compared to existing techniques.

The usage of deep neural networks in safety-critical systems is limited by our ability to guarantee their correct behavior. Runtime monitors are components aiming to identify unsafe predictions and discard them before they can lead to catastrophic consequences. Several recent works on runtime monitoring have focused on out-of-distribution (OOD) detection, i.e., identifying inputs that are different from the training data. In this work, we argue that OOD detection is not a well-suited framework to design efficient runtime monitors and that it is more relevant to evaluate monitors based on their ability to discard incorrect predictions. We call this setting out-ofmodel-scope detection and discuss the conceptual differences with OOD. We also conduct extensive experiments on popular datasets from the literature to show that studying monitors in the OOD setting can be misleading: 1. very good OOD results can give a false impression of safety, 2. comparison under the OOD setting does not allow identifying the best monitor to detect errors. Finally, we also show that removing erroneous training data samples helps to train better monitors.

Anomaly detection is a crucial process in industrial manufacturing and has made significant advancements recently. However, there is a large variance between the data used in the development and the data collected by the production environment. Therefore, we present the Texture-AD benchmark based on representative texture-based anomaly detection to evaluate the effectiveness of unsupervised anomaly detection algorithms in real-world applications. This dataset includes images of 15 different cloth, 14 semiconductor wafers and 10 metal plates acquired under different optical schemes. In addition, it includes more than 10 different types of defects produced during real manufacturing processes, such as scratches, wrinkles, color variations and point defects, which are often more difficult to detect than existing datasets. All anomalous areas are provided with pixel-level annotations to facilitate comprehensive evaluation using anomaly detection models. Specifically, to adapt to diverse products in automated pipelines, we present a new evaluation method and results of baseline algorithms. The experimental results show that Texture-AD is a difficult challenge for state-of-the-art algorithms. To our knowledge, Texture-AD is the first dataset to be devoted to evaluating industrial defect detection algorithms in the real world. The dataset is available at https://XXX.

We evaluate the robustness of several large language models on multiple datasets. Robustness here refers to the relative insensitivity of the model's answers to meaning-preserving variants of their input. Benchmark datasets are constructed by introducing naturally-occurring, non-malicious perturbations, or by generating semantically equivalent paraphrases of input questions or statements. We further propose a novel metric for assessing a model robustness, and demonstrate its benefits in the non-adversarial scenario by empirical evaluation of several models on the created datasets.

Industry surveillance is widely applicable in sectors like retail, manufacturing, education, and smart cities, each presenting unique anomalies requiring specialized detection. However, adapting anomaly detection models to novel viewpoints within the same scenario poses challenges. Extending these models to entirely new scenarios necessitates retraining or fine-tuning, a process that can be time consuming. To address these challenges, we propose the Scenario-Adaptive Anomaly Detection (SA2D) method, leveraging the few-shot learning framework for faster adaptation of pre-trained models to new concepts. Despite this approach, a significant challenge emerges from the absence of a comprehensive dataset with diverse scenarios and camera views. In response, we introduce the Multi-Scenario Anomaly Detection (MSAD) dataset, encompassing 14 distinct scenarios captured from various camera views. This real-world dataset is the first high-resolution anomaly detection dataset, offering a solid foundation for training superior models. MSAD includes diverse normal motion patterns, incorporating challenging variations like different lighting and weather conditions. Through experimentation, we validate the efficacy of SA2D, particularly when trained on the MSAD dataset. Our results show that SA2D not only excels under novel viewpoints within the same scenario but also demonstrates competitive performance when faced with entirely new scenarios. This highlights our method's potential in addressing challenges in detecting anomalies across diverse and evolving surveillance scenarios.

Prediction sets capture uncertainty by predicting sets of labels rather than individual labels, enabling downstream decisions to conservatively account for all plausible outcomes. Conformal inference algorithms construct prediction sets guaranteed to contain the true label with high probability. These guarantees fail to hold in the face of distribution shift, which is precisely when reliable uncertainty quantification can be most useful. We propose a novel algorithm for constructing prediction sets with PAC guarantees in the label shift setting. This method estimates the predicted probabilities of the classes in a target domain, as well as the confusion matrix, then propagates uncertainty in these estimates through a Gaussian elimination algorithm to compute confidence intervals for importance weights. Finally, it uses these intervals to construct prediction sets. We evaluate our approach on five datasets: the CIFAR-10, ChestX-Ray and Entity-13 image datasets, the tabular CDC Heart dataset, and the AGNews text dataset. Our algorithm satisfies the PAC guarantee while producing smaller, more informative, prediction sets compared to several baselines.

This paper describes EMBER: a labeled benchmark dataset for training machine learning models to statically detect malicious Windows portable executable files. The dataset includes features extracted from 1.1M binary files: 900K training samples (300K malicious, 300K benign, 300K unlabeled) and 200K test samples (100K malicious, 100K benign). To accompany the dataset, we also release open source code for extracting features from additional binaries so that additional sample features can be appended to the dataset. This dataset fills a void in the information security machine learning community: a benign/malicious dataset that is large, open and general enough to cover several interesting use cases. We enumerate several use cases that we considered when structuring the dataset. Additionally, we demonstrate one use case wherein we compare a baseline gradient boosted decision tree model trained using LightGBM with default settings to MalConv, a recently published end-to-end (featureless) deep learning model for malware detection. Results show that even without hyper-parameter optimization, the baseline EMBER model outperforms MalConv. The authors hope that the dataset, code and baseline model provided by EMBER will help invigorate machine learning research for malware detection, in much the same way that benchmark datasets have advanced computer vision research.

Robustness to natural distribution shifts has seen remarkable progress thanks to recent pre-training strategies combined with better fine-tuning methods. However, such fine-tuning assumes access to large amounts of labelled data, and the extent to which the observations hold when the amount of training data is not as high remains unknown. We address this gap by performing the first in-depth study of robustness to various natural distribution shifts in different low-shot regimes: spanning datasets, architectures, pre-trained initializations, and state-of-the-art robustness interventions. Most importantly, we find that there is no single model of choice that is often more robust than others, and existing interventions can fail to improve robustness on some datasets even if they do so in the full-shot regime. We hope that our work will motivate the community to focus on this problem of practical importance.

We present a conceptual framework, datamodeling, for analyzing the behavior of a model class in terms of the training data. For any fixed "target" example x, training set S, and learning algorithm, a datamodel is a parameterized function 2^S to R that for any subset of S' subset S -- using only information about which examples of S are contained in S' -- predicts the outcome of training a model on S' and evaluating on x. Despite the potential complexity of the underlying process being approximated (e.g., end-to-end training and evaluation of deep neural networks), we show that even simple linear datamodels can successfully predict model outputs. We then demonstrate that datamodels give rise to a variety of applications, such as: accurately predicting the effect of dataset counterfactuals; identifying brittle predictions; finding semantically similar examples; quantifying train-test leakage; and embedding data into a well-behaved and feature-rich representation space. Data for this paper (including pre-computed datamodels as well as raw predictions from four million trained deep neural networks) is available at https://github.com/MadryLab/datamodels-data .

Among adversarial attacks against sequential recommender systems, model extraction attacks represent a method to attack sequential recommendation models without prior knowledge. Existing research has primarily concentrated on the adversary's execution of black-box attacks through data-free model extraction. However, a significant gap remains in the literature concerning the development of surrogate models by adversaries with access to few-shot raw data (10\% even less). That is, the challenge of how to construct a surrogate model with high functional similarity within the context of few-shot data scenarios remains an issue that requires resolution.This study addresses this gap by introducing a novel few-shot model extraction framework against sequential recommenders, which is designed to construct a superior surrogate model with the utilization of few-shot data. The proposed few-shot model extraction framework is comprised of two components: an autoregressive augmentation generation strategy and a bidirectional repair loss-facilitated model distillation procedure. Specifically, to generate synthetic data that closely approximate the distribution of raw data, autoregressive augmentation generation strategy integrates a probabilistic interaction sampler to extract inherent dependencies and a synthesis determinant signal module to characterize user behavioral patterns. Subsequently, bidirectional repair loss, which target the discrepancies between the recommendation lists, is designed as auxiliary loss to rectify erroneous predictions from surrogate models, transferring knowledge from the victim model to the surrogate model effectively. Experiments on three datasets show that the proposed few-shot model extraction framework yields superior surrogate models.

In recent years, active learning has been successfully applied to an array of NLP tasks. However, prior work often assumes that training and test data are drawn from the same distribution. This is problematic, as in real-life settings data may stem from several sources of varying relevance and quality. We show that four popular active learning schemes fail to outperform random selection when applied to unlabelled pools comprised of multiple data sources on the task of natural language inference. We reveal that uncertainty-based strategies perform poorly due to the acquisition of collective outliers, i.e., hard-to-learn instances that hamper learning and generalization. When outliers are removed, strategies are found to recover and outperform random baselines. In further analysis, we find that collective outliers vary in form between sources, and show that hard-to-learn data is not always categorically harmful. Lastly, we leverage dataset cartography to introduce difficulty-stratified testing and find that different strategies are affected differently by example learnability and difficulty.

As the issue of robustness in AI systems becomes vital, statistical learning techniques that are reliable even in presence of partly contaminated data have to be developed. Preference data, in the form of (complete) rankings in the simplest situations, are no exception and the demand for appropriate concepts and tools is all the more pressing given that technologies fed by or producing this type of data (e.g. search engines, recommending systems) are now massively deployed. However, the lack of vector space structure for the set of rankings (i.e. the symmetric group S_n) and the complex nature of statistics considered in ranking data analysis make the formulation of robustness objectives in this domain challenging. In this paper, we introduce notions of robustness, together with dedicated statistical methods, for Consensus Ranking the flagship problem in ranking data analysis, aiming at summarizing a probability distribution on S_n by a median ranking. Precisely, we propose specific extensions of the popular concept of breakdown point, tailored to consensus ranking, and address the related computational issues. Beyond the theoretical contributions, the relevance of the approach proposed is supported by an experimental study.

This paper proposes a new large-scale dataset called "ToyADMOS2" for anomaly detection in machine operating sounds (ADMOS). As did for our previous ToyADMOS dataset, we collected a large number of operating sounds of miniature machines (toys) under normal and anomaly conditions by deliberately damaging them but extended with providing controlled depth of damages in anomaly samples. Since typical application scenarios of ADMOS often require robust performance under domain-shift conditions, the ToyADMOS2 dataset is designed for evaluating systems under such conditions. The released dataset consists of two sub-datasets for machine-condition inspection: fault diagnosis of machines with geometrically fixed tasks and fault diagnosis of machines with moving tasks. Domain shifts are represented by introducing several differences in operating conditions, such as the use of the same machine type but with different machine models and parts configurations, different operating speeds, microphone arrangements, etc. Each sub-dataset contains over 27 k samples of normal machine-operating sounds and over 8 k samples of anomalous sounds recorded with five to eight microphones. The dataset is freely available for download at https://github.com/nttcslab/ToyADMOS2-dataset and https://doi.org/10.5281/zenodo.4580270.

Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the fundamental importance of data has given rise to inaccuracy, bias, and fragility in real-world applications, and research is hindered by saturation across existing dataset benchmarks. In response, we present DataPerf, a community-led benchmark suite for evaluating ML datasets and data-centric algorithms. We aim to foster innovation in data-centric AI through competition, comparability, and reproducibility. We enable the ML community to iterate on datasets, instead of just architectures, and we provide an open, online platform with multiple rounds of challenges to support this iterative development. The first iteration of DataPerf contains five benchmarks covering a wide spectrum of data-centric techniques, tasks, and modalities in vision, speech, acquisition, debugging, and diffusion prompting, and we support hosting new contributed benchmarks from the community. The benchmarks, online evaluation platform, and baseline implementations are open source, and the MLCommons Association will maintain DataPerf to ensure long-term benefits to academia and industry.

Data is a crucial component of machine learning. The field is reliant on data to train, validate, and test models. With increased technical capabilities, machine learning research has boomed in both academic and industry settings, and one major focus has been on computer vision. Computer vision is a popular domain of machine learning increasingly pertinent to real-world applications, from facial recognition in policing to object detection for autonomous vehicles. Given computer vision's propensity to shape machine learning research and impact human life, we seek to understand disciplinary practices around dataset documentation - how data is collected, curated, annotated, and packaged into datasets for computer vision researchers and practitioners to use for model tuning and development. Specifically, we examine what dataset documentation communicates about the underlying values of vision data and the larger practices and goals of computer vision as a field. To conduct this study, we collected a corpus of about 500 computer vision datasets, from which we sampled 114 dataset publications across different vision tasks. Through both a structured and thematic content analysis, we document a number of values around accepted data practices, what makes desirable data, and the treatment of humans in the dataset construction process. We discuss how computer vision datasets authors value efficiency at the expense of care; universality at the expense of contextuality; impartiality at the expense of positionality; and model work at the expense of data work. Many of the silenced values we identify sit in opposition with social computing practices. We conclude with suggestions on how to better incorporate silenced values into the dataset creation and curation process.

In this paper we consider contamination by code generation test sets, in particular in their use in modern large language models. We discuss three possible sources of such contamination and show findings supporting each of them: (i) direct data leakage, (ii) indirect data leakage through the use of synthetic data and (iii) overfitting to evaluation sets during model selection. Key to our findings is a new dataset of 161 prompts with their associated python solutions, dataset which is released at https://huggingface.co/datasets/CohereForAI/lbpp .

We present a new challenging dataset, CPPE - 5 (Medical Personal Protective Equipment), with the goal to allow the study of subordinate categorization of medical personal protective equipments, which is not possible with other popular data sets that focus on broad-level categories (such as PASCAL VOC, ImageNet, Microsoft COCO, OpenImages, etc). To make it easy for models trained on this dataset to be used in practical scenarios in complex scenes, our dataset mainly contains images that show complex scenes with several objects in each scene in their natural context. The image collection for this dataset focuses on: obtaining as many non-iconic images as possible and making sure all the images are real-life images, unlike other existing datasets in this area. Our dataset includes 5 object categories (coveralls, face shields, gloves, masks, and goggles), and each image is annotated with a set of bounding boxes and positive labels. We present a detailed analysis of the dataset in comparison to other popular broad category datasets as well as datasets focusing on personal protective equipments, we also find that at present there exist no such publicly available datasets. Finally, we also analyze performance and compare model complexities on baseline and state-of-the-art models for bounding box results. Our code, data, and trained models are available at https://git.io/cppe5-dataset.

Large datasets underlying much of current machine learning raise serious issues concerning inappropriate content such as offensive, insulting, threatening, or might otherwise cause anxiety. This calls for increased dataset documentation, e.g., using datasheets. They, among other topics, encourage to reflect on the composition of the datasets. So far, this documentation, however, is done manually and therefore can be tedious and error-prone, especially for large image datasets. Here we ask the arguably "circular" question of whether a machine can help us reflect on inappropriate content, answering Question 16 in Datasheets. To this end, we propose to use the information stored in pre-trained transformer models to assist us in the documentation process. Specifically, prompt-tuning based on a dataset of socio-moral values steers CLIP to identify potentially inappropriate content, therefore reducing human labor. We then document the inappropriate images found using word clouds, based on captions generated using a vision-language model. The documentations of two popular, large-scale computer vision datasets -- ImageNet and OpenImages -- produced this way suggest that machines can indeed help dataset creators to answer Question 16 on inappropriate image content.

The public availability of collections containing user preferences is of vital importance for performing offline evaluations in the field of recommender systems. However, the number of rating datasets is limited because of the costs required for their creation and the fear of violating the privacy of the users by sharing them. For this reason, numerous research attempts investigated the creation of synthetic collections of ratings using generative approaches. Nevertheless, these datasets are usually not reliable enough for conducting an evaluation campaign. In this paper, we propose a method for creating synthetic datasets with a configurable number of users that mimic the characteristics of already existing ones. We empirically validated the proposed approach by exploiting the synthetic datasets for evaluating different recommenders and by comparing the results with the ones obtained using real datasets.

We propose to study and promote the robustness of a model as per its performance through the interpolation of training data distributions. Specifically, (1) we augment the data by finding the worst-case Wasserstein barycenter on the geodesic connecting subpopulation distributions of different categories. (2) We regularize the model for smoother performance on the continuous geodesic path connecting subpopulation distributions. (3) Additionally, we provide a theoretical guarantee of robustness improvement and investigate how the geodesic location and the sample size contribute, respectively. Experimental validations of the proposed strategy on four datasets, including CIFAR-100 and ImageNet, establish the efficacy of our method, e.g., our method improves the baselines' certifiable robustness on CIFAR10 up to 7.7%, with 16.8% on empirical robustness on CIFAR-100. Our work provides a new perspective of model robustness through the lens of Wasserstein geodesic-based interpolation with a practical off-the-shelf strategy that can be combined with existing robust training methods.

Real-world classifiers can benefit from the option of abstaining from predicting on samples where they have low confidence. Such abstention is particularly useful on samples which are close to the learned decision boundary, or which are outliers with respect to the training sample. These settings have been the subject of extensive but disjoint study in the selective classification (SC) and out-of-distribution (OOD) detection literature. Recent work on selective classification with OOD detection (SCOD) has argued for the unified study of these problems; however, the formal underpinnings of this problem are still nascent, and existing techniques are heuristic in nature. In this paper, we propose new plugin estimators for SCOD that are theoretically grounded, effective, and generalise existing approaches from the SC and OOD detection literature. In the course of our analysis, we formally explicate how na\"{i}ve use of existing SC and OOD detection baselines may be inadequate for SCOD. We empirically demonstrate that our approaches yields competitive SC and OOD detection performance compared to baselines from both literatures.

We study the problem of designing models for machine learning tasks defined on sets. In contrast to traditional approach of operating on fixed dimensional vectors, we consider objective functions defined on sets that are invariant to permutations. Such problems are widespread, ranging from estimation of population statistics poczos13aistats, to anomaly detection in piezometer data of embankment dams Jung15Exploration, to cosmology Ntampaka16Dynamical,Ravanbakhsh16ICML1. Our main theorem characterizes the permutation invariant functions and provides a family of functions to which any permutation invariant objective function must belong. This family of functions has a special structure which enables us to design a deep network architecture that can operate on sets and which can be deployed on a variety of scenarios including both unsupervised and supervised learning tasks. We also derive the necessary and sufficient conditions for permutation equivariance in deep models. We demonstrate the applicability of our method on population statistic estimation, point cloud classification, set expansion, and outlier detection.

Modern machine learning research relies on relatively few carefully curated datasets. Even in these datasets, and typically in `untidy' or raw data, practitioners are faced with significant issues of data quality and diversity which can be prohibitively labor intensive to address. Existing methods for dealing with these challenges tend to make strong assumptions about the particular issues at play, and often require a priori knowledge or metadata such as domain labels. Our work is orthogonal to these methods: we instead focus on providing a unified and efficient framework for Metadata Archaeology -- uncovering and inferring metadata of examples in a dataset. We curate different subsets of data that might exist in a dataset (e.g. mislabeled, atypical, or out-of-distribution examples) using simple transformations, and leverage differences in learning dynamics between these probe suites to infer metadata of interest. Our method is on par with far more sophisticated mitigation methods across different tasks: identifying and correcting mislabeled examples, classifying minority-group samples, prioritizing points relevant for training and enabling scalable human auditing of relevant examples.

As social media becomes increasingly prominent in our day to day lives, it is increasingly important to detect informative content and prevent the spread of disinformation and unverified rumours. While many sophisticated and successful models have been proposed in the literature, they are often compared with older NLP baselines such as SVMs, CNNs, and LSTMs. In this paper, we examine the performance of a broad set of modern transformer-based language models and show that with basic fine-tuning, these models are competitive with and can even significantly outperform recently proposed state-of-the-art methods. We present our framework as a baseline for creating and evaluating new methods for misinformation detection. We further study a comprehensive set of benchmark datasets, and discuss potential data leakage and the need for careful design of the experiments and understanding of datasets to account for confounding variables. As an extreme case example, we show that classifying only based on the first three digits of tweet ids, which contain information on the date, gives state-of-the-art performance on a commonly used benchmark dataset for fake news detection --Twitter16. We provide a simple tool to detect this problem and suggest steps to mitigate it in future datasets.

We present a new methodology for detecting out-of-distribution (OOD) images by utilizing norms of the score estimates at multiple noise scales. A score is defined to be the gradient of the log density with respect to the input data. Our methodology is completely unsupervised and follows a straight forward training scheme. First, we train a deep network to estimate scores for levels of noise. Once trained, we calculate the noisy score estimates for N in-distribution samples and take the L2-norms across the input dimensions (resulting in an NxL matrix). Then we train an auxiliary model (such as a Gaussian Mixture Model) to learn the in-distribution spatial regions in this L-dimensional space. This auxiliary model can now be used to identify points that reside outside the learned space. Despite its simplicity, our experiments show that this methodology significantly outperforms the state-of-the-art in detecting out-of-distribution images. For example, our method can effectively separate CIFAR-10 (inlier) and SVHN (OOD) images, a setting which has been previously shown to be difficult for deep likelihood models.

This paper introduces misinfo-general, a benchmark dataset for evaluating misinformation models' ability to perform out-of-distribution generalisation. Misinformation changes rapidly, much quicker than moderators can annotate at scale, resulting in a shift between the training and inference data distributions. As a result, misinformation models need to be able to perform out-of-distribution generalisation, an understudied problem in existing datasets. We identify 6 axes of generalisation-time, event, topic, publisher, political bias, misinformation type-and design evaluation procedures for each. We also analyse some baseline models, highlighting how these fail important desiderata.

Training a classifier on web-crawled data demands learning algorithms that are robust to annotation errors and irrelevant examples. This paper builds upon the recent empirical observation that applying unsupervised contrastive learning to noisy, web-crawled datasets yields a feature representation under which the in-distribution (ID) and out-of-distribution (OOD) samples are linearly separable. We show that direct estimation of the separating hyperplane can indeed offer an accurate detection of OOD samples, and yet, surprisingly, this detection does not translate into gains in classification accuracy. Digging deeper into this phenomenon, we discover that the near-perfect detection misses a type of clean examples that are valuable for supervised learning. These examples often represent visually simple images, which are relatively easy to identify as clean examples using standard loss- or distance-based methods despite being poorly separated from the OOD distribution using unsupervised learning. Because we further observe a low correlation with SOTA metrics, this urges us to propose a hybrid solution that alternates between noise detection using linear separation and a state-of-the-art (SOTA) small-loss approach. When combined with the SOTA algorithm PLS, we substantially improve SOTA results for real-world image classification in the presence of web noise github.com/PaulAlbert31/LSA

Semi-supervised learning (SSL) aims to leverage massive unlabeled data when labels are expensive to obtain. Unfortunately, in many real-world applications, the collected unlabeled data will inevitably contain unseen-class outliers not belonging to any of the labeled classes. To deal with the challenging open-set SSL task, the mainstream methods tend to first detect outliers and then filter them out. However, we observe a surprising fact that such approach could result in more severe performance degradation when labels are extremely scarce, as the unreliable outlier detector may wrongly exclude a considerable portion of valuable inliers. To tackle with this issue, we introduce a novel open-set SSL framework, IOMatch, which can jointly utilize inliers and outliers, even when it is difficult to distinguish exactly between them. Specifically, we propose to employ a multi-binary classifier in combination with the standard closed-set classifier for producing unified open-set classification targets, which regard all outliers as a single new class. By adopting these targets as open-set pseudo-labels, we optimize an open-set classifier with all unlabeled samples including both inliers and outliers. Extensive experiments have shown that IOMatch significantly outperforms the baseline methods across different benchmark datasets and different settings despite its remarkable simplicity. Our code and models are available at https://github.com/nukezil/IOMatch.

Metric space magnitude, an active field of research in algebraic topology, is a scalar quantity that summarizes the effective number of distinct points that live in a general metric space. The {\em weighting vector} is a closely-related concept that captures, in a nontrivial way, much of the underlying geometry of the original metric space. Recent work has demonstrated that when the metric space is Euclidean, the weighting vector serves as an effective tool for boundary detection. We recast this result and show the weighting vector may be viewed as a solution to a kernelized SVM. As one consequence, we apply this new insight to the task of outlier detection, and we demonstrate performance that is competitive or exceeds performance of state-of-the-art techniques on benchmark data sets. Under mild assumptions, we show the weighting vector, which has computational cost of matrix inversion, can be efficiently approximated in linear time. We show how nearest neighbor methods can approximate solutions to the minimization problems defined by SVMs.

Deep neural networks (DNNs) have been shown to outperform traditional machine learning algorithms in a broad variety of application domains due to their effectiveness in modeling complex problems and handling high-dimensional datasets. Many real-life datasets, however, are of increasingly high dimensionality, where a large number of features may be irrelevant for both supervised and unsupervised learning tasks. The inclusion of such features would not only introduce unwanted noise but also increase computational complexity. Furthermore, due to high non-linearity and dependency among a large number of features, DNN models tend to be unavoidably opaque and perceived as black-box methods because of their not well-understood internal functioning. Their algorithmic complexity is often simply beyond the capacities of humans to understand the interplay among myriads of hyperparameters. A well-interpretable model can identify statistically significant features and explain the way they affect the model's outcome. In this paper, we propose an efficient method to improve the interpretability of black-box models for classification tasks in the case of high-dimensional datasets. First, we train a black-box model on a high-dimensional dataset to learn the embeddings on which the classification is performed. To decompose the inner working principles of the black-box model and to identify top-k important features, we employ different probing and perturbing techniques. We then approximate the behavior of the black-box model by means of an interpretable surrogate model on the top-k feature space. Finally, we derive decision rules and local explanations from the surrogate model to explain individual decisions. Our approach outperforms state-of-the-art methods like TabNet and XGboost when tested on different datasets with varying dimensionality between 50 and 20,000 w.r.t metrics and explainability.

We introduce the MNIST-C dataset, a comprehensive suite of 15 corruptions applied to the MNIST test set, for benchmarking out-of-distribution robustness in computer vision. Through several experiments and visualizations we demonstrate that our corruptions significantly degrade performance of state-of-the-art computer vision models while preserving the semantic content of the test images. In contrast to the popular notion of adversarial robustness, our model-agnostic corruptions do not seek worst-case performance but are instead designed to be broad and diverse, capturing multiple failure modes of modern models. In fact, we find that several previously published adversarial defenses significantly degrade robustness as measured by MNIST-C. We hope that our benchmark serves as a useful tool for future work in designing systems that are able to learn robust feature representations that capture the underlying semantics of the input.

Machine learning models, such as neural networks, decision trees, random forests, and gradient boosting machines, accept a feature vector, and provide a prediction. These models learn in a supervised fashion where we provide feature vectors mapped to the expected output. It is common practice to engineer new features from the provided feature set. Such engineered features will either augment or replace portions of the existing feature vector. These engineered features are essentially calculated fields based on the values of the other features. Engineering such features is primarily a manual, time-consuming task. Additionally, each type of model will respond differently to different kinds of engineered features. This paper reports empirical research to demonstrate what kinds of engineered features are best suited to various machine learning model types. We provide this recommendation by generating several datasets that we designed to benefit from a particular type of engineered feature. The experiment demonstrates to what degree the machine learning model can synthesize the needed feature on its own. If a model can synthesize a planned feature, it is not necessary to provide that feature. The research demonstrated that the studied models do indeed perform differently with various types of engineered features.

State-of-the-art results on image recognition tasks are achieved using over-parameterized learning algorithms that (nearly) perfectly fit the training set and are known to fit well even random labels. This tendency to memorize the labels of the training data is not explained by existing theoretical analyses. Memorization of the training data also presents significant privacy risks when the training data contains sensitive personal information and thus it is important to understand whether such memorization is necessary for accurate learning. We provide the first conceptual explanation and a theoretical model for this phenomenon. Specifically, we demonstrate that for natural data distributions memorization of labels is necessary for achieving close-to-optimal generalization error. Crucially, even labels of outliers and noisy labels need to be memorized. The model is motivated and supported by the results of several recent empirical works. In our model, data is sampled from a mixture of subpopulations and our results show that memorization is necessary whenever the distribution of subpopulation frequencies is long-tailed. Image and text data is known to be long-tailed and therefore our results establish a formal link between these empirical phenomena. Our results allow to quantify the cost of limiting memorization in learning and explain the disparate effects that privacy and model compression have on different subgroups.

The task of out-of-distribution (OOD) detection is notoriously ill-defined. Earlier works focused on new-class detection, aiming to identify label-altering data distribution shifts, also known as "semantic shift." However, recent works argue for a focus on failure detection, expanding the OOD evaluation framework to account for label-preserving data distribution shifts, also known as "covariate shift." Intriguingly, under this new framework, complex OOD detectors that were previously considered state-of-the-art now perform similarly to, or even worse than the simple maximum softmax probability baseline. This raises the question: what are the latest OOD detectors actually detecting? Deciphering the behavior of OOD detection algorithms requires evaluation datasets that decouples semantic shift and covariate shift. To aid our investigations, we present ImageNet-OOD, a clean semantic shift dataset that minimizes the interference of covariate shift. Through comprehensive experiments, we show that OOD detectors are more sensitive to covariate shift than to semantic shift, and the benefits of recent OOD detection algorithms on semantic shift detection is minimal. Our dataset and analyses provide important insights for guiding the design of future OOD detectors.

We introduce TabRepo, a new dataset of tabular model evaluations and predictions. TabRepo contains the predictions and metrics of 1310 models evaluated on 200 classification and regression datasets. We illustrate the benefit of our dataset in multiple ways. First, we show that it allows to perform analysis such as comparing Hyperparameter Optimization against current AutoML systems while also considering ensembling at marginal cost by using precomputed model predictions. Second, we show that our dataset can be readily leveraged to perform transfer-learning. In particular, we show that applying standard transfer-learning techniques allows to outperform current state-of-the-art tabular systems in accuracy, runtime and latency.

The quality of underlying training data is very crucial for building performant machine learning models with wider generalizabilty. However, current machine learning (ML) tools lack streamlined processes for improving the data quality. So, getting data quality insights and iteratively pruning the errors to obtain a dataset which is most representative of downstream use cases is still an ad-hoc manual process. Our work addresses this data tooling gap, required to build improved ML workflows purely through data-centric techniques. More specifically, we introduce a systematic framework for (1) finding noisy or mislabelled samples in the dataset and, (2) identifying the most informative samples, which when included in training would provide maximal model performance lift. We demonstrate the efficacy of our framework on public as well as private enterprise datasets of two Fortune 500 companies, and are confident this work will form the basis for ML teams to perform more intelligent data discovery and pruning.

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

The progress in modelling time series and, more generally, sequences of structured data has recently revamped research in anomaly detection. The task stands for identifying abnormal behaviors in financial series, IT systems, aerospace measurements, and the medical domain, where anomaly detection may aid in isolating cases of depression and attend the elderly. Anomaly detection in time series is a complex task since anomalies are rare due to highly non-linear temporal correlations and since the definition of anomalous is sometimes subjective. Here we propose the novel use of Hyperbolic uncertainty for Anomaly Detection (HypAD). HypAD learns self-supervisedly to reconstruct the input signal. We adopt best practices from the state-of-the-art to encode the sequence by an LSTM, jointly learned with a decoder to reconstruct the signal, with the aid of GAN critics. Uncertainty is estimated end-to-end by means of a hyperbolic neural network. By using uncertainty, HypAD may assess whether it is certain about the input signal but it fails to reconstruct it because this is anomalous; or whether the reconstruction error does not necessarily imply anomaly, as the model is uncertain, e.g. a complex but regular input signal. The novel key idea is that a detectable anomaly is one where the model is certain but it predicts wrongly. HypAD outperforms the current state-of-the-art for univariate anomaly detection on established benchmarks based on data from NASA, Yahoo, Numenta, Amazon, and Twitter. It also yields state-of-the-art performance on a multivariate dataset of anomaly activities in elderly home residences, and it outperforms the baseline on SWaT. Overall, HypAD yields the lowest false alarms at the best performance rate, thanks to successfully identifying detectable anomalies.

In high dimension, low sample size (HDLSS) settings, classifiers based on Euclidean distances like the nearest neighbor classifier and the average distance classifier perform quite poorly if differences between locations of the underlying populations get masked by scale differences. To rectify this problem, several modifications of these classifiers have been proposed in the literature. However, existing methods are confined to location and scale differences only, and often fail to discriminate among populations differing outside of the first two moments. In this article, we propose some simple transformations of these classifiers resulting into improved performance even when the underlying populations have the same location and scale. We further propose a generalization of these classifiers based on the idea of grouping of variables. The high-dimensional behavior of the proposed classifiers is studied theoretically. Numerical experiments with a variety of simulated examples as well as an extensive analysis of real data sets exhibit advantages of the proposed methods.

Many state-of-the-art hyperparameter optimization (HPO) algorithms rely on model-based optimizers that learn surrogate models of the target function to guide the search. Gaussian processes are the de facto surrogate model due to their ability to capture uncertainty but they make strong assumptions about the observation noise, which might not be warranted in practice. In this work, we propose to leverage conformalized quantile regression which makes minimal assumptions about the observation noise and, as a result, models the target function in a more realistic and robust fashion which translates to quicker HPO convergence on empirical benchmarks. To apply our method in a multi-fidelity setting, we propose a simple, yet effective, technique that aggregates observed results across different resource levels and outperforms conventional methods across many empirical tasks.

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

With the rapid growth of information, recommender systems have become integral for providing personalized suggestions and overcoming information overload. However, their practical deployment often encounters "dirty" data, where noise or malicious information can lead to abnormal recommendations. Research on improving recommender systems' robustness against such dirty data has thus gained significant attention. This survey provides a comprehensive review of recent work on recommender systems' robustness. We first present a taxonomy to organize current techniques for withstanding malicious attacks and natural noise. We then explore state-of-the-art methods in each category, including fraudster detection, adversarial training, certifiable robust training against malicious attacks, and regularization, purification, self-supervised learning against natural noise. Additionally, we summarize evaluation metrics and common datasets used to assess robustness. We discuss robustness across varying recommendation scenarios and its interplay with other properties like accuracy, interpretability, privacy, and fairness. Finally, we delve into open issues and future research directions in this emerging field. Our goal is to equip readers with a holistic understanding of robust recommender systems and spotlight pathways for future research and development.

Modern deep learning requires large volumes of data, which could contain sensitive or private information that cannot be leaked. Recent work has shown for homogeneous neural networks a large portion of this training data could be reconstructed with only access to the trained network parameters. While the attack was shown to work empirically, there exists little formal understanding of its effective regime which datapoints are susceptible to reconstruction. In this work, we first build a stronger version of the dataset reconstruction attack and show how it can provably recover the entire training set in the infinite width regime. We then empirically study the characteristics of this attack on two-layer networks and reveal that its success heavily depends on deviations from the frozen infinite-width Neural Tangent Kernel limit. Next, we study the nature of easily-reconstructed images. We show that both theoretically and empirically, reconstructed images tend to "outliers" in the dataset, and that these reconstruction attacks can be used for dataset distillation, that is, we can retrain on reconstructed images and obtain high predictive accuracy.

Conformal prediction is a powerful tool to generate uncertainty sets with guaranteed coverage using any predictive model, under the assumption that the training and test data are i.i.d.. Recently, it has been shown that adversarial examples are able to manipulate conformal methods to construct prediction sets with invalid coverage rates, as the i.i.d. assumption is violated. To address this issue, a recent work, Randomized Smoothed Conformal Prediction (RSCP), was first proposed to certify the robustness of conformal prediction methods to adversarial noise. However, RSCP has two major limitations: (i) its robustness guarantee is flawed when used in practice and (ii) it tends to produce large uncertainty sets. To address these limitations, we first propose a novel framework called RSCP+ to provide provable robustness guarantee in evaluation, which fixes the issues in the original RSCP method. Next, we propose two novel methods, Post-Training Transformation (PTT) and Robust Conformal Training (RCT), to effectively reduce prediction set size with little computation overhead. Experimental results in CIFAR10, CIFAR100, and ImageNet suggest the baseline method only yields trivial predictions including full label set, while our methods could boost the efficiency by up to 4.36times, 5.46times, and 16.9times respectively and provide practical robustness guarantee. Our codes are available at https://github.com/Trustworthy-ML-Lab/Provably-Robust-Conformal-Prediction.

A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various explain-by-example or data attribution tasks. In this work, we combine these two trends to analyze approximate empirical neural tangent kernels (eNTK) for data attribution. Approximation is critical for eNTK analysis due to the high computational cost to compute the eNTK. We define new approximate eNTK and perform novel analysis on how well the resulting kernel machine surrogate models correlate with the underlying neural network. We introduce two new random projection variants of approximate eNTK which allow users to tune the time and memory complexity of their calculation. We conclude that kernel machines using approximate neural tangent kernel as the kernel function are effective surrogate models, with the introduced trace NTK the most consistent performer. Open source software allowing users to efficiently calculate kernel functions in the PyTorch framework is available (https://github.com/pnnl/projection\_ntk).

Time series forecasting is an important and forefront task in many real-world applications. However, most of time series forecasting techniques assume that the training data is clean without anomalies. This assumption is unrealistic since the collected time series data can be contaminated in practice. The forecasting model will be inferior if it is directly trained by time series with anomalies. Thus it is essential to develop methods to automatically learn a robust forecasting model from the contaminated data. In this paper, we first statistically define three types of anomalies, then theoretically and experimentally analyze the loss robustness and sample robustness when these anomalies exist. Based on our analyses, we propose a simple and efficient algorithm to learn a robust forecasting model. Extensive experiments show that our method is highly robust and outperforms all existing approaches. The code is available at https://github.com/haochenglouis/RobustTSF.

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

Due to the unsupervised nature of anomaly detection, the key to fueling deep models is finding supervisory signals. Different from current reconstruction-guided generative models and transformation-based contrastive models, we devise novel data-driven supervision for tabular data by introducing a characteristic -- scale -- as data labels. By representing varied sub-vectors of data instances, we define scale as the relationship between the dimensionality of original sub-vectors and that of representations. Scales serve as labels attached to transformed representations, thus offering ample labeled data for neural network training. This paper further proposes a scale learning-based anomaly detection method. Supervised by the learning objective of scale distribution alignment, our approach learns the ranking of representations converted from varied subspaces of each data instance. Through this proxy task, our approach models inherent regularities and patterns within data, which well describes data "normality". Abnormal degrees of testing instances are obtained by measuring whether they fit these learned patterns. Extensive experiments show that our approach leads to significant improvement over state-of-the-art generative/contrastive anomaly detection methods.

Vehicle anomaly detection plays a vital role in highway safety applications such as accident prevention, rapid response, traffic flow optimization, and work zone safety. With the surge of the Internet of Things (IoT) in recent years, there has arisen a pressing demand for Artificial Intelligence (AI) based anomaly detection methods designed to meet the requirements of IoT devices. Catering to this futuristic vision, we introduce a lightweight approach to vehicle anomaly detection by utilizing the power of trajectory prediction. Our proposed design identifies vehicles deviating from expected paths, indicating highway risks from different camera-viewing angles from real-world highway datasets. On top of that, we present VegaEdge - a sophisticated AI confluence designed for real-time security and surveillance applications in modern highway settings through edge-centric IoT-embedded platforms equipped with our anomaly detection approach. Extensive testing across multiple platforms and traffic scenarios showcases the versatility and effectiveness of VegaEdge. This work also presents the Carolinas Anomaly Dataset (CAD), to bridge the existing gap in datasets tailored for highway anomalies. In real-world scenarios, our anomaly detection approach achieves an AUC-ROC of 0.94, and our proposed VegaEdge design, on an embedded IoT platform, processes 738 trajectories per second in a typical highway setting. The dataset is available at https://github.com/TeCSAR-UNCC/Carolinas_Dataset#chd-anomaly-test-set .

Training a large and state-of-the-art machine learning model typically necessitates the use of large-scale datasets, which, in turn, makes the training and parameter-tuning process expensive and time-consuming. Some researchers opt to distil information from real-world datasets into tiny and compact synthetic datasets while maintaining their ability to train a well-performing model, hence proposing a data-efficient method known as Dataset Distillation (DD). Despite recent progress in this field, existing methods still underperform and cannot effectively replace large datasets. In this paper, unlike previous methods that focus solely on improving the efficacy of student distillation, we are the first to recognize the important interplay between expert and student. We argue the significant impact of expert smoothness when employing more potent expert trajectories in subsequent dataset distillation. Based on this, we introduce the integration of clipping loss and gradient penalty to regulate the rate of parameter changes in expert trajectories. Furthermore, in response to the sensitivity exhibited towards randomly initialized variables during distillation, we propose representative initialization for synthetic dataset and balanced inner-loop loss. Finally, we present two enhancement strategies, namely intermediate matching loss and weight perturbation, to mitigate the potential occurrence of cumulative errors. We conduct extensive experiments on datasets of different scales, sizes, and resolutions. The results demonstrate that the proposed method significantly outperforms prior methods.

We study principal component analysis (PCA), where given a dataset in R^d from a distribution, the task is to find a unit vector v that approximately maximizes the variance of the distribution after being projected along v. Despite being a classical task, standard estimators fail drastically if the data contains even a small fraction of outliers, motivating the problem of robust PCA. Recent work has developed computationally-efficient algorithms for robust PCA that either take super-linear time or have sub-optimal error guarantees. Our main contribution is to develop a nearly-linear time algorithm for robust PCA with near-optimal error guarantees. We also develop a single-pass streaming algorithm for robust PCA with memory usage nearly-linear in the dimension.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

To address the risks of encountering inappropriate or harmful content, researchers managed to incorporate several harmful contents datasets with machine learning methods to detect harmful concepts. However, existing harmful datasets are curated by the presence of a narrow range of harmful objects, and only cover real harmful content sources. This hinders the generalizability of methods based on such datasets, potentially leading to misjudgments. Therefore, we propose a comprehensive harmful dataset, Visual Harmful Dataset 11K (VHD11K), consisting of 10,000 images and 1,000 videos, crawled from the Internet and generated by 4 generative models, across a total of 10 harmful categories covering a full spectrum of harmful concepts with nontrivial definition. We also propose a novel annotation framework by formulating the annotation process as a multi-agent Visual Question Answering (VQA) task, having 3 different VLMs "debate" about whether the given image/video is harmful, and incorporating the in-context learning strategy in the debating process. Therefore, we can ensure that the VLMs consider the context of the given image/video and both sides of the arguments thoroughly before making decisions, further reducing the likelihood of misjudgments in edge cases. Evaluation and experimental results demonstrate that (1) the great alignment between the annotation from our novel annotation framework and those from human, ensuring the reliability of VHD11K; (2) our full-spectrum harmful dataset successfully identifies the inability of existing harmful content detection methods to detect extensive harmful contents and improves the performance of existing harmfulness recognition methods; (3) VHD11K outperforms the baseline dataset, SMID, as evidenced by the superior improvement in harmfulness recognition methods. The complete dataset and code can be found at https://github.com/nctu-eva-lab/VHD11K.

When applying differential privacy to sensitive data, we can often improve performance using external information such as other sensitive data, public data, or human priors. We propose to use the learning-augmented algorithms (or algorithms with predictions) framework -- previously applied largely to improve time complexity or competitive ratios -- as a powerful way of designing and analyzing privacy-preserving methods that can take advantage of such external information to improve utility. This idea is instantiated on the important task of multiple quantile release, for which we derive error guarantees that scale with a natural measure of prediction quality while (almost) recovering state-of-the-art prediction-independent guarantees. Our analysis enjoys several advantages, including minimal assumptions about the data, a natural way of adding robustness, and the provision of useful surrogate losses for two novel ``meta" algorithms that learn predictions from other (potentially sensitive) data. We conclude with experiments on challenging tasks demonstrating that learning predictions across one or more instances can lead to large error reductions while preserving privacy.

Misinformation is a complex societal issue, and mitigating solutions are difficult to create due to data deficiencies. To address this problem, we have curated the largest collection of (mis)information datasets in the literature, totaling 75. From these, we evaluated the quality of all of the 36 datasets that consist of statements or claims. We assess these datasets to identify those with solid foundations for empirical work and those with flaws that could result in misleading and non-generalizable results, such as insufficient label quality, spurious correlations, or political bias. We further provide state-of-the-art baselines on all these datasets, but show that regardless of label quality, categorical labels may no longer give an accurate evaluation of detection model performance. We discuss alternatives to mitigate this problem. Overall, this guide aims to provide a roadmap for obtaining higher quality data and conducting more effective evaluations, ultimately improving research in misinformation detection. All datasets and other artifacts are available at https://misinfo-datasets.complexdatalab.com/.

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

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

We present a straightforward statistical test to detect certain violations of the assumption that the data are Independent and Identically Distributed (IID). The specific form of violation considered is common across real-world applications: whether the examples are ordered in the dataset such that almost adjacent examples tend to have more similar feature values (e.g. due to distributional drift, or attractive interactions between datapoints). Based on a k-Nearest Neighbors estimate, our approach can be used to audit any multivariate numeric data as well as other data types (image, text, audio, etc.) that can be numerically represented, perhaps with model embeddings. Compared with existing methods to detect drift or auto-correlation, our approach is both applicable to more types of data and also able to detect a wider variety of IID violations in practice. Code: https://github.com/cleanlab/cleanlab

Devising indicative evaluation metrics for the image generation task remains an open problem. The most widely used metric for measuring the similarity between real and generated images has been the Fr\'echet Inception Distance (FID) score. Because it does not differentiate the fidelity and diversity aspects of the generated images, recent papers have introduced variants of precision and recall metrics to diagnose those properties separately. In this paper, we show that even the latest version of the precision and recall metrics are not reliable yet. For example, they fail to detect the match between two identical distributions, they are not robust against outliers, and the evaluation hyperparameters are selected arbitrarily. We propose density and coverage metrics that solve the above issues. We analytically and experimentally show that density and coverage provide more interpretable and reliable signals for practitioners than the existing metrics. Code: https://github.com/clovaai/generative-evaluation-prdc.

Responding to the challenge of detecting unusual radar targets in a well identified environment, innovative anomaly and novelty detection methods keep emerging in the literature. This work aims at presenting a benchmark gathering common and recently introduced unsupervised anomaly detection (AD) methods, the results being generated using high-resolution range profiles. A semi-supervised AD (SAD) is considered to demonstrate the added value of having a few labeled anomalies to improve performances. Experiments were conducted with and without pollution of the training set with anomalous samples in order to be as close as possible to real operational contexts. The common AD methods composing our baseline will be One-Class Support Vector Machines (OC-SVM), Isolation Forest (IF), Local Outlier Factor (LOF) and a Convolutional Autoencoder (CAE). The more innovative AD methods put forward by this work are Deep Support Vector Data Description (Deep SVDD) and Random Projection Depth (RPD), belonging respectively to deep and shallow AD. The semi-supervised adaptation of Deep SVDD constitutes our SAD method. HRRP data was generated by a coastal surveillance radar, our results thus suggest that AD can contribute to enhance maritime and coastal situation awareness.

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on k-means clustering and sensitivity sampling. Assuming access to an embedding representation of the data with respect to which the model loss is H\"older continuous, our approach provably allows selecting a set of ``typical'' k + 1/varepsilon^2 elements whose average loss corresponds to the average loss of the whole dataset, up to a multiplicative (1pmvarepsilon) factor and an additive varepsilon lambda Phi_k, where Phi_k represents the k-means cost for the input embeddings and lambda is the H\"older constant. We furthermore demonstrate the performance and scalability of our approach on fine-tuning foundation models and show that it outperforms state-of-the-art methods. We also show how it can be applied on linear regression, leading to a new sampling strategy that surprisingly matches the performances of leverage score sampling, while being conceptually simpler and more scalable.

Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.

In recent years, there is strong emphasis on mining medical data using machine learning techniques. A common problem is to obtain a noiseless set of textual documents, with a relevant content for the research question, and developing a Question Answering (QA) model for a specific medical field. The purpose of this paper is to present a new methodology for building a medical dataset and obtain a QA model for analysis of symptoms and impact on daily life for a specific disease domain. The ``Mental Health'' forum was used, a forum dedicated to people suffering from schizophrenia and different mental disorders. Relevant posts of active users, who regularly participate, were extrapolated providing a new method of obtaining low-bias content and without privacy issues. Furthermore, it is shown how to pre-process the dataset to convert it into a QA dataset. The Bidirectional Encoder Representations from Transformers (BERT), DistilBERT, RoBERTa, and BioBERT models were fine-tuned and evaluated via F1-Score, Exact Match, Precision and Recall. Accurate empirical experiments demonstrated the effectiveness of the proposed method for obtaining an accurate dataset for QA model implementation. By fine-tuning the BioBERT QA model, we achieved an F1 score of 0.885, showing a considerable improvement and outperforming the state-of-the-art model for mental disorders domain.

Out-of-distribution (OOD) detection aims to identify test examples that do not belong to the training distribution and are thus unlikely to be predicted reliably. Despite a plethora of existing works, most of them focused only on the scenario where OOD examples come from semantic shift (e.g., unseen categories), ignoring other possible causes (e.g., covariate shift). In this paper, we present a novel, unifying framework to study OOD detection in a broader scope. Instead of detecting OOD examples from a particular cause, we propose to detect examples that a deployed machine learning model (e.g., an image classifier) is unable to predict correctly. That is, whether a test example should be detected and rejected or not is ``model-specific''. We show that this framework unifies the detection of OOD examples caused by semantic shift and covariate shift, and closely addresses the concern of applying a machine learning model to uncontrolled environments. We provide an extensive analysis that involves a variety of models (e.g., different architectures and training strategies), sources of OOD examples, and OOD detection approaches, and reveal several insights into improving and understanding OOD detection in uncontrolled environments.

Anomaly detection is critical in surveillance systems and patrol robots by identifying anomalous regions in images for early warning. Depending on whether reference data are utilized, anomaly detection can be categorized into anomaly detection with reference and anomaly detection without reference. Currently, anomaly detection without reference, which is closely related to out-of-distribution (OoD) object detection, struggles with learning anomalous patterns due to the difficulty of collecting sufficiently large and diverse anomaly datasets with the inherent rarity and novelty of anomalies. Alternatively, anomaly detection with reference employs the scheme of change detection to identify anomalies by comparing semantic changes between a reference image and a query one. However, there are very few ADr works due to the scarcity of public datasets in this domain. In this paper, we aim to address this gap by introducing the UMAD Benchmark Dataset. To our best knowledge, this is the first benchmark dataset designed specifically for anomaly detection with reference in robotic patrolling scenarios, e.g., where an autonomous robot is employed to detect anomalous objects by comparing a reference and a query video sequences. The reference sequences can be taken by the robot along a specified route when there are no anomalous objects in the scene. The query sequences are captured online by the robot when it is patrolling in the same scene following the same route. Our benchmark dataset is elaborated such that each query image can find a corresponding reference based on accurate robot localization along the same route in the prebuilt 3D map, with which the reference and query images can be geometrically aligned using adaptive warping. Besides the proposed benchmark dataset, we evaluate the baseline models of ADr on this dataset.

Detecting anomalies in images is an important task, especially in real-time computer vision applications. In this work, we focus on computational efficiency and propose a lightweight feature extractor that processes an image in less than a millisecond on a modern GPU. We then use a student-teacher approach to detect anomalous features. We train a student network to predict the extracted features of normal, i.e., anomaly-free training images. The detection of anomalies at test time is enabled by the student failing to predict their features. We propose a training loss that hinders the student from imitating the teacher feature extractor beyond the normal images. It allows us to drastically reduce the computational cost of the student-teacher model, while improving the detection of anomalous features. We furthermore address the detection of challenging logical anomalies that involve invalid combinations of normal local features, for example, a wrong ordering of objects. We detect these anomalies by efficiently incorporating an autoencoder that analyzes images globally. We evaluate our method, called EfficientAD, on 32 datasets from three industrial anomaly detection dataset collections. EfficientAD sets new standards for both the detection and the localization of anomalies. At a latency of two milliseconds and a throughput of six hundred images per second, it enables a fast handling of anomalies. Together with its low error rate, this makes it an economical solution for real-world applications and a fruitful basis for future research.

We describe a novel attribution method which is grounded in Sensitivity Analysis and uses Sobol indices. Beyond modeling the individual contributions of image regions, Sobol indices provide an efficient way to capture higher-order interactions between image regions and their contributions to a neural network's prediction through the lens of variance. We describe an approach that makes the computation of these indices efficient for high-dimensional problems by using perturbation masks coupled with efficient estimators to handle the high dimensionality of images. Importantly, we show that the proposed method leads to favorable scores on standard benchmarks for vision (and language models) while drastically reducing the computing time compared to other black-box methods -- even surpassing the accuracy of state-of-the-art white-box methods which require access to internal representations. Our code is freely available: https://github.com/fel-thomas/Sobol-Attribution-Method

Unsupervised anomaly detection and localization, as of one the most practical and challenging problems in computer vision, has received great attention in recent years. From the time the MVTec AD dataset was proposed to the present, new research methods that are constantly being proposed push its precision to saturation. It is the time to conduct a comprehensive comparison of existing methods to inspire further research. This paper extensively compares 13 papers in terms of the performance in unsupervised anomaly detection and localization tasks, and adds a comparison of inference efficiency previously ignored by the community. Meanwhile, analysis of the MVTec AD dataset are also given, especially the label ambiguity that affects the model fails to achieve full marks. Moreover, considering the proposal of the new MVTec 3D-AD dataset, this paper also conducts experiments using the existing state-of-the-art 2D methods on this new dataset, and reports the corresponding results with analysis.

With the rising popularity of Large Language Models (LLMs), there has been an increasing interest in compression techniques that enable their efficient deployment. This study focuses on the Post-Training Quantization (PTQ) of LLMs. Drawing from recent advances, our work introduces QuantEase, a layer-wise quantization framework where individual layers undergo separate quantization. The problem is framed as a discrete-structured non-convex optimization, prompting the development of algorithms rooted in Coordinate Descent (CD) techniques. These CD-based methods provide high-quality solutions to the complex non-convex layer-wise quantization problems. Notably, our CD-based approach features straightforward updates, relying solely on matrix and vector operations, circumventing the need for matrix inversion or decomposition. We also explore an outlier-aware variant of our approach, allowing for retaining significant weights (outliers) with complete precision. Our proposal attains state-of-the-art performance in terms of perplexity and zero-shot accuracy in empirical evaluations across various LLMs and datasets, with relative improvements up to 15% over methods such as GPTQ. Leveraging careful linear algebra optimizations, QuantEase can quantize models like Falcon-180B on a single NVIDIA A100 GPU in sim3 hours. Particularly noteworthy is our outlier-aware algorithm's capability to achieve near or sub-3-bit quantization of LLMs with an acceptable drop in accuracy, obviating the need for non-uniform quantization or grouping techniques, improving upon methods such as SpQR by up to two times in terms of perplexity.

Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in reality, such approaches can be sensitive to estimation error and yield unstable intervals.~Here, we circumvent the challenges by converting regression to a classification problem and then use CP for classification to obtain CP sets for regression.~To preserve the ordering of the continuous-output space, we design a new loss function and make necessary modifications to the CP classification techniques.~Empirical results on many benchmarks shows that this simple approach gives surprisingly good results on many practical problems.

Popular approaches for quantifying predictive uncertainty in deep neural networks often involve distributions over weights or multiple models, for instance via Markov Chain sampling, ensembling, or Monte Carlo dropout. These techniques usually incur overhead by having to train multiple model instances or do not produce very diverse predictions. This comprehensive and extensive survey aims to familiarize the reader with an alternative class of models based on the concept of Evidential Deep Learning: For unfamiliar data, they aim to admit "what they don't know", and fall back onto a prior belief. Furthermore, they allow uncertainty estimation in a single model and forward pass by parameterizing distributions over distributions. This survey recapitulates existing works, focusing on the implementation in a classification setting, before surveying the application of the same paradigm to regression. We also reflect on the strengths and weaknesses compared to other existing methods and provide the most fundamental derivations using a unified notation to aid future research.

Standard training datasets for deep learning often contain objects in common settings (e.g., "a horse on grass" or "a ship in water") since they are usually collected by randomly scraping the web. Uncommon and rare settings (e.g., "a plane on water", "a car in snowy weather") are thus severely under-represented in the training data. This can lead to an undesirable bias in model predictions towards common settings and create a false sense of accuracy. In this paper, we introduce FOCUS (Familiar Objects in Common and Uncommon Settings), a dataset for stress-testing the generalization power of deep image classifiers. By leveraging the power of modern search engines, we deliberately gather data containing objects in common and uncommon settings in a wide range of locations, weather conditions, and time of day. We present a detailed analysis of the performance of various popular image classifiers on our dataset and demonstrate a clear drop in performance when classifying images in uncommon settings. By analyzing deep features of these models, we show that such errors can be due to the use of spurious features in model predictions. We believe that our dataset will aid researchers in understanding the inability of deep models to generalize well to uncommon settings and drive future work on improving their distributional robustness.

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

In this paper we establish rigorous benchmarks for image classifier robustness. Our first benchmark, ImageNet-C, standardizes and expands the corruption robustness topic, while showing which classifiers are preferable in safety-critical applications. Then we propose a new dataset called ImageNet-P which enables researchers to benchmark a classifier's robustness to common perturbations. Unlike recent robustness research, this benchmark evaluates performance on common corruptions and perturbations not worst-case adversarial perturbations. We find that there are negligible changes in relative corruption robustness from AlexNet classifiers to ResNet classifiers. Afterward we discover ways to enhance corruption and perturbation robustness. We even find that a bypassed adversarial defense provides substantial common perturbation robustness. Together our benchmarks may aid future work toward networks that robustly generalize.

Large Language Models (LLMs) have recently demonstrated a remarkable success across various tasks. However, efficiently serving LLMs has been a challenge due to its large memory bottleneck, specifically in small batch inference settings (e.g. mobile devices). Weight-only quantization can be a promising approach, but sub-4 bit quantization remains a challenge due to large-magnitude activation outliers. To mitigate the undesirable outlier effect, we first propose per-IC quantization, a simple yet effective method that creates quantization groups within each input channel (IC) rather than the conventional per-output channel (OC). Our method is motivated by the observation that activation outliers affect the input dimension of the weight matrix, so similarly grouping the weights in the IC direction can isolate outliers to be within a group. We also find that activation outliers do not dictate quantization difficulty, and inherent weight sensitivities also exist. With per-IC quantization as a new outlier-friendly scheme, we then propose Adaptive Dimensions (AdaDim), a versatile quantization framework that can adapt to various weight sensitivity patterns. We demonstrate the effectiveness of AdaDim by augmenting prior methods such as Round-To-Nearest and GPTQ, showing significant improvements across various language modeling benchmarks for both base (up to +4.7% on MMLU) and instruction-tuned (up to +10% on HumanEval) LLMs.

We build new test sets for the CIFAR-10 and ImageNet datasets. Both benchmarks have been the focus of intense research for almost a decade, raising the danger of overfitting to excessively re-used test sets. By closely following the original dataset creation processes, we test to what extent current classification models generalize to new data. We evaluate a broad range of models and find accuracy drops of 3% - 15% on CIFAR-10 and 11% - 14% on ImageNet. However, accuracy gains on the original test sets translate to larger gains on the new test sets. Our results suggest that the accuracy drops are not caused by adaptivity, but by the models' inability to generalize to slightly "harder" images than those found in the original test sets.

Attribution methods can provide powerful insights into the reasons for a classifier's decision. We argue that a key desideratum of an explanation method is its robustness to input hyperparameters which are often randomly set or empirically tuned. High sensitivity to arbitrary hyperparameter choices does not only impede reproducibility but also questions the correctness of an explanation and impairs the trust of end-users. In this paper, we provide a thorough empirical study on the sensitivity of existing attribution methods. We found an alarming trend that many methods are highly sensitive to changes in their common hyperparameters e.g. even changing a random seed can yield a different explanation! Interestingly, such sensitivity is not reflected in the average explanation accuracy scores over the dataset as commonly reported in the literature. In addition, explanations generated for robust classifiers (i.e. which are trained to be invariant to pixel-wise perturbations) are surprisingly more robust than those generated for regular classifiers.

In this paper, we introduce a conformal prediction method to construct prediction sets in a oneshot federated learning setting. More specifically, we define a quantile-of-quantiles estimator and prove that for any distribution, it is possible to output prediction sets with desired coverage in only one round of communication. To mitigate privacy issues, we also describe a locally differentially private version of our estimator. Finally, over a wide range of experiments, we show that our method returns prediction sets with coverage and length very similar to those obtained in a centralized setting. Overall, these results demonstrate that our method is particularly well-suited to perform conformal predictions in a one-shot federated learning setting.

Typical neural network trainings have substantial variance in test-set performance between repeated runs, impeding hyperparameter comparison and training reproducibility. We present the following results towards understanding this variation. (1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have very little variance in their performance on the test-distributions from which those test-sets are sampled, suggesting that variance is less of a practical issue than previously thought. (2) We present a simplifying statistical assumption which closely approximates the structure of the test-set accuracy distribution. (3) We argue that test-set variance is inevitable in the following two senses. First, we show that variance is largely caused by high sensitivity of the training process to initial conditions, rather than by specific sources of randomness like the data order and augmentations. Second, we prove that variance is unavoidable given the observation that ensembles of trained networks are well-calibrated. (4) We conduct preliminary studies of distribution-shift, fine-tuning, data augmentation and learning rate through the lens of variance between runs.

Deep active learning in the presence of outlier examples poses a realistic yet challenging scenario. Acquiring unlabeled data for annotation requires a delicate balance between avoiding outliers to conserve the annotation budget and prioritizing useful inlier examples for effective training. In this work, we present an approach that leverages three highly synergistic components, which are identified as key ingredients: joint classifier training with inliers and outliers, semi-supervised learning through pseudo-labeling, and model ensembling. Our work demonstrates that ensembling significantly enhances the accuracy of pseudo-labeling and improves the quality of data acquisition. By enabling semi-supervision through the joint training process, where outliers are properly handled, we observe a substantial boost in classifier accuracy through the use of all available unlabeled examples. Notably, we reveal that the integration of joint training renders explicit outlier detection unnecessary; a conventional component for acquisition in prior work. The three key components align seamlessly with numerous existing approaches. Through empirical evaluations, we showcase that their combined use leads to a performance increase. Remarkably, despite its simplicity, our proposed approach outperforms all other methods in terms of performance. Code: https://github.com/vladan-stojnic/active-outliers

Due to the expanding capabilities and pre-training data, Large Language Models (LLMs) are facing increasingly serious evaluation challenges. On one hand, the data leakage issue cause over-estimation on existing benchmarks. On the other hand, periodically curating datasets manually is costly. In this paper, we propose to automate dataset updates for reliable and timely evaluation. The basic idea is to generate unseen and high-quality testing samples based on existing ones to mitigate leakage issues. In specific, we propose two strategies with systematically verification. First, the mimicking strategy employs LLMs to create new samples resembling existing ones, to the maximum extent preserving the stylistic of the original dataset. Our experiments demonstrate its evaluation stability across multiple instantiations and its effectiveness in dealing with data leakage issues in most cases. Second, for the cases that mimicking dataset works poorly, we design an extending strategy that adjusts the difficulty of the generated samples according to varying cognitive levels. This not only makes our evaluation more systematic, but also, with a balanced difficulty, even discern model capabilities better at fine-grained levels.

Deploying neural networks on microcontroller units (MCUs) presents substantial challenges due to their constrained computation and memory resources. Previous researches have explored patch-based inference as a strategy to conserve memory without sacrificing model accuracy. However, this technique suffers from severe redundant computation overhead, leading to a substantial increase in execution latency. A feasible solution to address this issue is mixed-precision quantization, but it faces the challenges of accuracy degradation and a time-consuming search time. In this paper, we propose QuantMCU, a novel patch-based inference method that utilizes value-driven mixed-precision quantization to reduce redundant computation. We first utilize value-driven patch classification (VDPC) to maintain the model accuracy. VDPC classifies patches into two classes based on whether they contain outlier values. For patches containing outlier values, we apply 8-bit quantization to the feature maps on the dataflow branches that follow. In addition, for patches without outlier values, we utilize value-driven quantization search (VDQS) on the feature maps of their following dataflow branches to reduce search time. Specifically, VDQS introduces a novel quantization search metric that takes into account both computation and accuracy, and it employs entropy as an accuracy representation to avoid additional training. VDQS also adopts an iterative approach to determine the bitwidth of each feature map to further accelerate the search process. Experimental results on real-world MCU devices show that QuantMCU can reduce computation by 2.2x on average while maintaining comparable model accuracy compared to the state-of-the-art patch-based inference methods.

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

Large multimodal datasets have been instrumental in recent breakthroughs such as CLIP, Stable Diffusion, and GPT-4. At the same time, datasets rarely receive the same research attention as model architectures or training algorithms. To address this shortcoming in the machine learning ecosystem, we introduce DataComp, a benchmark where the training code is fixed and researchers innovate by proposing new training sets. We provide a testbed for dataset experiments centered around a new candidate pool of 12.8B image-text pairs from Common Crawl. Participants in our benchmark design new filtering techniques or curate new data sources and then evaluate their new dataset by running our standardized CLIP training code and testing on 38 downstream test sets. Our benchmark consists of multiple scales, with four candidate pool sizes and associated compute budgets ranging from 12.8M to 12.8B samples seen during training. This multi-scale design facilitates the study of scaling trends and makes the benchmark accessible to researchers with varying resources. Our baseline experiments show that the DataComp workflow is a promising way of improving multimodal datasets. We introduce DataComp-1B, a dataset created by applying a simple filtering algorithm to the 12.8B candidate pool. The resulting 1.4B subset enables training a CLIP ViT-L/14 from scratch to 79.2% zero-shot accuracy on ImageNet. Our new ViT-L/14 model outperforms a larger ViT-g/14 trained on LAION-2B by 0.7 percentage points while requiring 9x less training compute. We also outperform OpenAI's CLIP ViT-L/14 by 3.7 percentage points, which is trained with the same compute budget as our model. These gains highlight the potential for improving model performance by carefully curating training sets. We view DataComp-1B as only the first step and hope that DataComp paves the way toward the next generation of multimodal datasets.

Quantitative tools are increasingly appealing for decision support in healthcare, driven by the growing capabilities of advanced AI systems. However, understanding the predictive uncertainties surrounding a tool's output is crucial for decision-makers to ensure reliable and transparent decisions. In this paper, we present a case study on pulmonary nodule detection for lung cancer screening, enhancing an advanced detection model with an uncertainty quantification technique called conformal risk control (CRC). We demonstrate that prediction sets with conformal guarantees are attractive measures of predictive uncertainty in the safety-critical healthcare domain, allowing end-users to achieve arbitrary validity by trading off false positives and providing formal statistical guarantees on model performance. Among ground-truth nodules annotated by at least three radiologists, our model achieves a sensitivity that is competitive with that generally achieved by individual radiologists, with a slight increase in false positives. Furthermore, we illustrate the risks of using off-the-shelve prediction models when faced with ontological uncertainty, such as when radiologists disagree on what constitutes the ground truth on pulmonary nodules.

Although AI systems have been applied in various fields and achieved impressive performance, their safety and reliability are still a big concern. This is especially important for safety-critical tasks. One shared characteristic of these critical tasks is their risk sensitivity, where small mistakes can cause big consequences and even endanger life. There are several factors that could be guidelines for the successful deployment of AI systems in sensitive tasks: (i) failure detection and out-of-distribution (OOD) detection; (ii) overfitting identification; (iii) uncertainty quantification for predictions; (iv) robustness to data perturbations. These factors are also challenges of current AI systems, which are major blocks for building safe and reliable AI. Specifically, the current AI algorithms are unable to identify common causes for failure detection. Furthermore, additional techniques are required to quantify the quality of predictions. All these contribute to inaccurate uncertainty quantification, which lowers trust in predictions. Hence obtaining accurate model uncertainty quantification and its further improvement are challenging. To address these issues, many techniques have been proposed, such as regularization methods and learning strategies. As vision and language are the most typical data type and have many open source benchmark datasets, this thesis will focus on vision-language data processing for tasks like classification, image captioning, and vision question answering. In this thesis, we aim to build a safeguard by further developing current techniques to ensure the accurate model uncertainty for safety-critical tasks.

This research delves into the construction and utilization of synthetic datasets, specifically within the telematics sphere, leveraging OpenAI's powerful language model, ChatGPT. Synthetic datasets present an effective solution to challenges pertaining to data privacy, scarcity, and control over variables - characteristics that make them particularly valuable for research pursuits. The utility of these datasets, however, largely depends on their quality, measured through the lenses of diversity, relevance, and coherence. To illustrate this data creation process, a hands-on case study is conducted, focusing on the generation of a synthetic telematics dataset. The experiment involved an iterative guidance of ChatGPT, progressively refining prompts and culminating in the creation of a comprehensive dataset for a hypothetical urban planning scenario in Columbus, Ohio. Upon generation, the synthetic dataset was subjected to an evaluation, focusing on the previously identified quality parameters and employing descriptive statistics and visualization techniques for a thorough analysis. Despite synthetic datasets not serving as perfect replacements for actual world data, their potential in specific use-cases, when executed with precision, is significant. This research underscores the potential of AI models like ChatGPT in enhancing data availability for complex sectors like telematics, thus paving the way for a myriad of new research opportunities.

Active learning promises to alleviate the massive data needs of supervised machine learning: it has successfully improved sample efficiency by an order of magnitude on traditional tasks like topic classification and object recognition. However, we uncover a striking contrast to this promise: across 5 models and 4 datasets on the task of visual question answering, a wide variety of active learning approaches fail to outperform random selection. To understand this discrepancy, we profile 8 active learning methods on a per-example basis, and identify the problem as collective outliers -- groups of examples that active learning methods prefer to acquire but models fail to learn (e.g., questions that ask about text in images or require external knowledge). Through systematic ablation experiments and qualitative visualizations, we verify that collective outliers are a general phenomenon responsible for degrading pool-based active learning. Notably, we show that active learning sample efficiency increases significantly as the number of collective outliers in the active learning pool decreases. We conclude with a discussion and prescriptive recommendations for mitigating the effects of these outliers in future work.

We propose and release a new vulnerable source code dataset. We curate the dataset by crawling security issue websites, extracting vulnerability-fixing commits and source codes from the corresponding projects. Our new dataset contains 18,945 vulnerable functions spanning 150 CWEs and 330,492 non-vulnerable functions extracted from 7,514 commits. Our dataset covers 295 more projects than all previous datasets combined. Combining our new dataset with previous datasets, we present an analysis of the challenges and promising research directions of using deep learning for detecting software vulnerabilities. We study 11 model architectures belonging to 4 families. Our results show that deep learning is still not ready for vulnerability detection, due to high false positive rate, low F1 score, and difficulty of detecting hard CWEs. In particular, we demonstrate an important generalization challenge for the deployment of deep learning-based models. We show that increasing the volume of training data may not further improve the performance of deep learning models for vulnerability detection, but might be useful to improve the generalization ability to unseen projects. We also identify hopeful future research directions. We demonstrate that large language models (LLMs) are a promising research direction for ML-based vulnerability detection, outperforming Graph Neural Networks (GNNs) with code-structure features in our experiments. Moreover, developing source code specific pre-training objectives is a promising research direction to improve the vulnerability detection performance.

In supervised learning, understanding an input's proximity to the training data can help a model decide whether it has sufficient evidence for reaching a reliable prediction. While powerful probabilistic models such as Gaussian Processes naturally have this property, deep neural networks often lack it. In this paper, we introduce Distance Aware Bottleneck (DAB), i.e., a new method for enriching deep neural networks with this property. Building on prior information bottleneck approaches, our method learns a codebook that stores a compressed representation of all inputs seen during training. The distance of a new example from this codebook can serve as an uncertainty estimate for the example. The resulting model is simple to train and provides deterministic uncertainty estimates by a single forward pass. Finally, our method achieves better out-of-distribution (OOD) detection and misclassification prediction than prior methods, including expensive ensemble methods, deep kernel Gaussian Processes, and approaches based on the standard information bottleneck.

Anomaly detection aims at detecting unexpected behaviours in the data. Because anomaly detection is usually an unsupervised task, traditional anomaly detectors learn a decision boundary by employing heuristics based on intuitions, which are hard to verify in practice. This introduces some uncertainty, especially close to the decision boundary, that may reduce the user trust in the detector's predictions. A way to combat this is by allowing the detector to reject examples with high uncertainty (Learning to Reject). This requires employing a confidence metric that captures the distance to the decision boundary and setting a rejection threshold to reject low-confidence predictions. However, selecting a proper metric and setting the rejection threshold without labels are challenging tasks. In this paper, we solve these challenges by setting a constant rejection threshold on the stability metric computed by ExCeeD. Our insight relies on a theoretical analysis of such a metric. Moreover, setting a constant threshold results in strong guarantees: we estimate the test rejection rate, and derive a theoretical upper bound for both the rejection rate and the expected prediction cost. Experimentally, we show that our method outperforms some metric-based methods.

Recent work have demonstrated that robustness (to "corruption") can be at odds with generalization. Adversarial training, for instance, aims to reduce the problematic susceptibility of modern neural networks to small data perturbations. Surprisingly, overfitting is a major concern in adversarial training despite being mostly absent in standard training. We provide here theoretical evidence for this peculiar "robust overfitting" phenomenon. Subsequently, we advance a novel distributionally robust loss function bridging robustness and generalization. We demonstrate both theoretically as well as empirically the loss to enjoy a certified level of robustness against two common types of corruption--data evasion and poisoning attacks--while ensuring guaranteed generalization. We show through careful numerical experiments that our resulting holistic robust (HR) training procedure yields SOTA performance. Finally, we indicate that HR training can be interpreted as a direct extension of adversarial training and comes with a negligible additional computational burden. A ready-to-use python library implementing our algorithm is available at https://github.com/RyanLucas3/HR_Neural_Networks.

We have now entered the era of trillion parameter machine learning models trained on billion-sized datasets scraped from the internet. The rise of these gargantuan datasets has given rise to formidable bodies of critical work that has called for caution while generating these large datasets. These address concerns surrounding the dubious curation practices used to generate these datasets, the sordid quality of alt-text data available on the world wide web, the problematic content of the CommonCrawl dataset often used as a source for training large language models, and the entrenched biases in large-scale visio-linguistic models (such as OpenAI's CLIP model) trained on opaque datasets (WebImageText). In the backdrop of these specific calls of caution, we examine the recently released LAION-400M dataset, which is a CLIP-filtered dataset of Image-Alt-text pairs parsed from the Common-Crawl dataset. We found that the dataset contains, troublesome and explicit images and text pairs of rape, pornography, malign stereotypes, racist and ethnic slurs, and other extremely problematic content. We outline numerous implications, concerns and downstream harms regarding the current state of large scale datasets while raising open questions for various stakeholders including the AI community, regulators, policy makers and data subjects.

In this paper, we propose a dimensionless anomaly detection method for multivariate streams. Our method is independent of the unit of measurement for the different stream channels, therefore dimensionless. We first propose the variance norm, a generalisation of Mahalanobis distance to handle infinite-dimensional feature space and singular empirical covariance matrix rigorously. We then combine the variance norm with the path signature, an infinite collection of iterated integrals that provide global features of streams, to propose SigMahaKNN, a method for anomaly detection on (multivariate) streams. We show that SigMahaKNN is invariant to stream reparametrisation, stream concatenation and has a graded discrimination power depending on the truncation level of the path signature. We implement SigMahaKNN as an open-source software, and perform extensive numerical experiments, showing significantly improved anomaly detection on streams compared to isolation forest and local outlier factors in applications ranging from language analysis, hand-writing analysis, ship movement paths analysis and univariate time-series analysis.

Out-of-distribution (OOD) detection aims to detect testing samples far away from the in-distribution (ID) training data, which is crucial for the safe deployment of machine learning models in the real world. Distance-based OOD detection methods have emerged with enhanced deep representation learning. They identify unseen OOD samples by measuring their distances from ID class centroids or prototypes. However, existing approaches learn the representation relying on oversimplified data assumptions, e.g, modeling ID data of each class with one centroid class prototype or using loss functions not designed for OOD detection, which overlook the natural diversities within the data. Naively enforcing data samples of each class to be compact around only one prototype leads to inadequate modeling of realistic data and limited performance. To tackle these issues, we propose PrototypicAl Learning with a Mixture of prototypes (PALM) which models each class with multiple prototypes to capture the sample diversities, and learns more faithful and compact samples embeddings to enhance OOD detection. Our method automatically identifies and dynamically updates prototypes, assigning each sample to a subset of prototypes via reciprocal neighbor soft assignment weights. PALM optimizes a maximum likelihood estimation (MLE) loss to encourage the sample embeddings to be compact around the associated prototypes, as well as a contrastive loss on all prototypes to enhance intra-class compactness and inter-class discrimination at the prototype level. Moreover, the automatic estimation of prototypes enables our approach to be extended to the challenging OOD detection task with unlabelled ID data. Extensive experiments demonstrate the superiority of PALM, achieving state-of-the-art average AUROC performance of 93.82 on the challenging CIFAR-100 benchmark. Code is available at https://github.com/jeff024/PALM.

We show that the basic classification framework alone can be used to tackle some of the most challenging tasks in image synthesis. In contrast to other state-of-the-art approaches, the toolkit we develop is rather minimal: it uses a single, off-the-shelf classifier for all these tasks. The crux of our approach is that we train this classifier to be adversarially robust. It turns out that adversarial robustness is precisely what we need to directly manipulate salient features of the input. Overall, our findings demonstrate the utility of robustness in the broader machine learning context. Code and models for our experiments can be found at https://git.io/robust-apps.

Distant and weak supervision allow to obtain large amounts of labeled training data quickly and cheaply, but these automatic annotations tend to contain a high amount of errors. A popular technique to overcome the negative effects of these noisy labels is noise modelling where the underlying noise process is modelled. In this work, we study the quality of these estimated noise models from the theoretical side by deriving the expected error of the noise model. Apart from evaluating the theoretical results on commonly used synthetic noise, we also publish NoisyNER, a new noisy label dataset from the NLP domain that was obtained through a realistic distant supervision technique. It provides seven sets of labels with differing noise patterns to evaluate different noise levels on the same instances. Parallel, clean labels are available making it possible to study scenarios where a small amount of gold-standard data can be leveraged. Our theoretical results and the corresponding experiments give insights into the factors that influence the noise model estimation like the noise distribution and the sampling technique.

Selecting informative data points for expert feedback can significantly improve the performance of anomaly detection (AD) in various contexts, such as medical diagnostics or fraud detection. In this paper, we determine a set of theoretical conditions under which anomaly scores generalize from labeled queries to unlabeled data. Motivated by these results, we propose a data labeling strategy with optimal data coverage under labeling budget constraints. In addition, we propose a new learning framework for semi-supervised AD. Extensive experiments on image, tabular, and video data sets show that our approach results in state-of-the-art semi-supervised AD performance under labeling budget constraints.

The sharp increase in data-related expenses has motivated research into condensing datasets while retaining the most informative features. Dataset distillation has thus recently come to the fore. This paradigm generates synthetic datasets that are representative enough to replace the original dataset in training a neural network. To avoid redundancy in these synthetic datasets, it is crucial that each element contains unique features and remains diverse from others during the synthesis stage. In this paper, we provide a thorough theoretical and empirical analysis of diversity within synthesized datasets. We argue that enhancing diversity can improve the parallelizable yet isolated synthesizing approach. Specifically, we introduce a novel method that employs dynamic and directed weight adjustment techniques to modulate the synthesis process, thereby maximizing the representativeness and diversity of each synthetic instance. Our method ensures that each batch of synthetic data mirrors the characteristics of a large, varying subset of the original dataset. Extensive experiments across multiple datasets, including CIFAR, Tiny-ImageNet, and ImageNet-1K, demonstrate the superior performance of our method, highlighting its effectiveness in producing diverse and representative synthetic datasets with minimal computational expense. Our code is available at https://github.com/AngusDujw/Diversity-Driven-Synthesis.https://github.com/AngusDujw/Diversity-Driven-Synthesis.

NLP models often rely on superficial cues known as dataset biases to achieve impressive performance, and can fail on examples where these biases do not hold. Recent work sought to develop robust, unbiased models by filtering biased examples from training sets. In this work, we argue that such filtering can obscure the true capabilities of models to overcome biases, which might never be removed in full from the dataset. We suggest that in order to drive the development of models robust to subtle biases, dataset biases should be amplified in the training set. We introduce an evaluation framework defined by a bias-amplified training set and an anti-biased test set, both automatically extracted from existing datasets. Experiments across three notions of bias, four datasets and two models show that our framework is substantially more challenging for models than the original data splits, and even more challenging than hand-crafted challenge sets. Our evaluation framework can use any existing dataset, even those considered obsolete, to test model robustness. We hope our work will guide the development of robust models that do not rely on superficial biases and correlations. To this end, we publicly release our code and data.

Training large vision-language models requires extensive, high-quality image-text pairs. Existing web-scraped datasets, however, are noisy and lack detailed image descriptions. To bridge this gap, we introduce PixelProse, a comprehensive dataset of over 16M (million) synthetically generated captions, leveraging cutting-edge vision-language models for detailed and accurate descriptions. To ensure data integrity, we rigorously analyze our dataset for problematic content, including child sexual abuse material (CSAM), personally identifiable information (PII), and toxicity. We also provide valuable metadata such as watermark presence and aesthetic scores, aiding in further dataset filtering. We hope PixelProse will be a valuable resource for future vision-language research. PixelProse is available at https://huggingface.co/datasets/tomg-group-umd/pixelprose

Face detection is one of the most studied topics in the computer vision community. Much of the progresses have been made by the availability of face detection benchmark datasets. We show that there is a gap between current face detection performance and the real world requirements. To facilitate future face detection research, we introduce the WIDER FACE dataset, which is 10 times larger than existing datasets. The dataset contains rich annotations, including occlusions, poses, event categories, and face bounding boxes. Faces in the proposed dataset are extremely challenging due to large variations in scale, pose and occlusion, as shown in Fig. 1. Furthermore, we show that WIDER FACE dataset is an effective training source for face detection. We benchmark several representative detection systems, providing an overview of state-of-the-art performance and propose a solution to deal with large scale variation. Finally, we discuss common failure cases that worth to be further investigated. Dataset can be downloaded at: mmlab.ie.cuhk.edu.hk/projects/WIDERFace

Due to the cost of developing and training deep learning models from scratch, machine learning engineers have begun to reuse pre-trained models (PTMs) and fine-tune them for downstream tasks. PTM registries known as "model hubs" support engineers in distributing and reusing deep learning models. PTM packages include pre-trained weights, documentation, model architectures, datasets, and metadata. Mining the information in PTM packages will enable the discovery of engineering phenomena and tools to support software engineers. However, accessing this information is difficult - there are many PTM registries, and both the registries and the individual packages may have rate limiting for accessing the data. We present an open-source dataset, PTMTorrent, to facilitate the evaluation and understanding of PTM packages. This paper describes the creation, structure, usage, and limitations of the dataset. The dataset includes a snapshot of 5 model hubs and a total of 15,913 PTM packages. These packages are represented in a uniform data schema for cross-hub mining. We describe prior uses of this data and suggest research opportunities for mining using our dataset. The PTMTorrent dataset (v1) is available at: https://app.globus.org/file-manager?origin_id=55e17a6e-9d8f-11ed-a2a2-8383522b48d9&origin_path=%2F~%2F. Our dataset generation tools are available on GitHub: https://doi.org/10.5281/zenodo.7570357.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures.

We consider offline Imitation Learning from corrupted demonstrations where a constant fraction of data can be noise or even arbitrary outliers. Classical approaches such as Behavior Cloning assumes that demonstrations are collected by an presumably optimal expert, hence may fail drastically when learning from corrupted demonstrations. We propose a novel robust algorithm by minimizing a Median-of-Means (MOM) objective which guarantees the accurate estimation of policy, even in the presence of constant fraction of outliers. Our theoretical analysis shows that our robust method in the corrupted setting enjoys nearly the same error scaling and sample complexity guarantees as the classical Behavior Cloning in the expert demonstration setting. Our experiments on continuous-control benchmarks validate that our method exhibits the predicted robustness and effectiveness, and achieves competitive results compared to existing imitation learning methods.

Anomaly detection in supercomputers is a very difficult problem due to the big scale of the systems and the high number of components. The current state of the art for automated anomaly detection employs Machine Learning methods or statistical regression models in a supervised fashion, meaning that the detection tool is trained to distinguish among a fixed set of behaviour classes (healthy and unhealthy states). We propose a novel approach for anomaly detection in High Performance Computing systems based on a Machine (Deep) Learning technique, namely a type of neural network called autoencoder. The key idea is to train a set of autoencoders to learn the normal (healthy) behaviour of the supercomputer nodes and, after training, use them to identify abnormal conditions. This is different from previous approaches which where based on learning the abnormal condition, for which there are much smaller datasets (since it is very hard to identify them to begin with). We test our approach on a real supercomputer equipped with a fine-grained, scalable monitoring infrastructure that can provide large amount of data to characterize the system behaviour. The results are extremely promising: after the training phase to learn the normal system behaviour, our method is capable of detecting anomalies that have never been seen before with a very good accuracy (values ranging between 88% and 96%).

Recently, we have witnessed the bloom of neural ranking models in the information retrieval (IR) field. So far, much effort has been devoted to developing effective neural ranking models that can generalize well on new data. There has been less attention paid to the robustness perspective. Unlike the effectiveness which is about the average performance of a system under normal purpose, robustness cares more about the system performance in the worst case or under malicious operations instead. When a new technique enters into the real-world application, it is critical to know not only how it works in average, but also how would it behave in abnormal situations. So we raise the question in this work: Are neural ranking models robust? To answer this question, firstly, we need to clarify what we refer to when we talk about the robustness of ranking models in IR. We show that robustness is actually a multi-dimensional concept and there are three ways to define it in IR: 1) The performance variance under the independent and identically distributed (I.I.D.) setting; 2) The out-of-distribution (OOD) generalizability; and 3) The defensive ability against adversarial operations. The latter two definitions can be further specified into two different perspectives respectively, leading to 5 robustness tasks in total. Based on this taxonomy, we build corresponding benchmark datasets, design empirical experiments, and systematically analyze the robustness of several representative neural ranking models against traditional probabilistic ranking models and learning-to-rank (LTR) models. The empirical results show that there is no simple answer to our question. While neural ranking models are less robust against other IR models in most cases, some of them can still win 1 out of 5 tasks. This is the first comprehensive study on the robustness of neural ranking models.

Because anomalous samples cannot be used for training, many anomaly detection and localization methods use pre-trained networks and non-parametric modeling to estimate encoded feature distribution. However, these methods neglect the impact of position and neighborhood information on the distribution of normal features. To overcome this, we propose a new algorithm, PNI, which estimates the normal distribution using conditional probability given neighborhood features, modeled with a multi-layer perceptron network. Moreover, position information is utilized by creating a histogram of representative features at each position. Instead of simply resizing the anomaly map, the proposed method employs an additional refine network trained on synthetic anomaly images to better interpolate and account for the shape and edge of the input image. We conducted experiments on the MVTec AD benchmark dataset and achieved state-of-the-art performance, with 99.56\% and 98.98\% AUROC scores in anomaly detection and localization, respectively.

The Combined Algorithm Selection and Hyperparameters optimization (CASH) problem is one of the fundamental problems in Automated Machine Learning (AutoML). Motivated by the success of ensemble learning, recent AutoML systems build post-hoc ensembles to output the final predictions instead of using the best single learner. However, while most CASH methods focus on searching for a single learner with the best performance, they neglect the diversity among base learners (i.e., they may suggest similar configurations to previously evaluated ones), which is also a crucial consideration when building an ensemble. To tackle this issue and further enhance the ensemble performance, we propose DivBO, a diversity-aware framework to inject explicit search of diversity into the CASH problems. In the framework, we propose to use a diversity surrogate to predict the pair-wise diversity of two unseen configurations. Furthermore, we introduce a temporary pool and a weighted acquisition function to guide the search of both performance and diversity based on Bayesian optimization. Empirical results on 15 public datasets show that DivBO achieves the best average ranks (1.82 and 1.73) on both validation and test errors among 10 compared methods, including post-hoc designs in recent AutoML systems and state-of-the-art baselines for ensemble learning on CASH problems.

Systematic literature reviews (SLRs) play an essential role in summarising, synthesising and validating scientific evidence. In recent years, there has been a growing interest in using machine learning techniques to automate the identification of relevant studies for SLRs. However, the lack of standardised evaluation datasets makes comparing the performance of such automated literature screening systems difficult. In this paper, we analyse the citation screening evaluation datasets, revealing that many of the available datasets are either too small, suffer from data leakage or have limited applicability to systems treating automated literature screening as a classification task, as opposed to, for example, a retrieval or question-answering task. To address these challenges, we introduce CSMeD, a meta-dataset consolidating nine publicly released collections, providing unified access to 325 SLRs from the fields of medicine and computer science. CSMeD serves as a comprehensive resource for training and evaluating the performance of automated citation screening models. Additionally, we introduce CSMeD-FT, a new dataset designed explicitly for evaluating the full text publication screening task. To demonstrate the utility of CSMeD, we conduct experiments and establish baselines on new datasets.

This paper proposes a method for the automatic creation of variables (in the case of regression) that complement the information contained in the initial input vector. The method works as a pre-processing step in which the continuous values of the variable to be regressed are discretized into a set of intervals which are then used to define value thresholds. Then classifiers are trained to predict whether the value to be regressed is less than or equal to each of these thresholds. The different outputs of the classifiers are then concatenated in the form of an additional vector of variables that enriches the initial vector of the regression problem. The implemented system can thus be considered as a generic pre-processing tool. We tested the proposed enrichment method with 5 types of regressors and evaluated it in 33 regression datasets. Our experimental results confirm the interest of the approach.

Machine learning systems are known to be sensitive to spurious correlations between biased features of the inputs (e.g., background, texture, and secondary objects) and the corresponding labels. These features and their correlations with the labels are known as "spurious" because they tend to change with shifts in real-world data distributions, which can negatively impact the model's generalization and robustness. In this survey, we provide a comprehensive review of this issue, along with a taxonomy of current state-of-the-art methods for addressing spurious correlations in machine learning models. Additionally, we summarize existing datasets, benchmarks, and metrics to aid future research. The paper concludes with a discussion of the recent advancements and future research challenges in this field, aiming to provide valuable insights for researchers in the related domains.

While machine-learned models are now routinely employed to facilitate astronomical inquiry, model inputs tend to be limited to a primary data source (namely images or time series) and, in the more advanced approaches, some metadata. Yet with the growing use of wide-field, multiplexed observational resources, individual sources of interest often have a broad range of observational modes available. Here we construct an astronomical multimodal dataset and propose AstroM^3, a self-supervised pre-training approach that enables a model to learn from multiple modalities simultaneously. Specifically, we extend the CLIP (Contrastive Language-Image Pretraining) model to a trimodal setting, allowing the integration of time-series photometry data, spectra, and astrophysical metadata. In a fine-tuning supervised setting, our results demonstrate that CLIP pre-training improves classification performance for time-series photometry, where accuracy increases from 84.6% to 91.5%. Furthermore, CLIP boosts classification accuracy by up to 12.6% when the availability of labeled data is limited, showing the effectiveness of leveraging larger corpora of unlabeled data. In addition to fine-tuned classification, we can use the trained model in other downstream tasks that are not explicitly contemplated during the construction of the self-supervised model. In particular we show the efficacy of using the learned embeddings for misclassifications identification, similarity search, and anomaly detection. One surprising highlight is the "rediscovery" of Mira subtypes and two Rotational variable subclasses using manifold learning and dimension reduction algorithm. To our knowledge this is the first construction of an n>2 mode model in astronomy. Extensions to n>3 modes is naturally anticipated with this approach.

Given a (machine learning) classifier and a collection of unlabeled data, how can we efficiently identify misclassification patterns presented in this dataset? To address this problem, we propose a human-machine collaborative framework that consists of a team of human annotators and a sequential recommendation algorithm. The recommendation algorithm is conceptualized as a stochastic sampler that, in each round, queries the annotators a subset of samples for their true labels and obtains the feedback information on whether the samples are misclassified. The sampling mechanism needs to balance between discovering new patterns of misclassification (exploration) and confirming the potential patterns of classification (exploitation). We construct a determinantal point process, whose intensity balances the exploration-exploitation trade-off through the weighted update of the posterior at each round to form the generator of the stochastic sampler. The numerical results empirically demonstrate the competitive performance of our framework on multiple datasets at various signal-to-noise ratios.

State-of-the-art natural language processing models have been shown to achieve remarkable performance in 'closed-world' settings where all the labels in the evaluation set are known at training time. However, in real-world settings, 'novel' instances that do not belong to any known class are often observed. This renders the ability to deal with novelties crucial. To initiate a systematic research in this important area of 'dealing with novelties', we introduce 'NoveltyTask', a multi-stage task to evaluate a system's performance on pipelined novelty 'detection' and 'accommodation' tasks. We provide mathematical formulation of NoveltyTask and instantiate it with the authorship attribution task that pertains to identifying the correct author of a given text. We use Amazon reviews corpus and compile a large dataset (consisting of 250k instances across 200 authors/labels) for NoveltyTask. We conduct comprehensive experiments and explore several baseline methods for the task. Our results show that the methods achieve considerably low performance making the task challenging and leaving sufficient room for improvement. Finally, we believe our work will encourage research in this underexplored area of dealing with novelties, an important step en route to developing robust systems.

Data contamination, i.e., the presence of test data from downstream tasks in the training data of large language models (LLMs), is a potential major issue in measuring LLMs' real effectiveness on other tasks. We propose a straightforward yet effective method for identifying data contamination within LLMs. At its core, our approach starts by identifying potential contamination at the instance level; using this information, our approach then assesses wider contamination at the partition level. To estimate contamination of individual instances, we employ "guided instruction:" a prompt consisting of the dataset name, partition type, and the random-length initial segment of a reference instance, asking the LLM to complete it. An instance is flagged as contaminated if the LLM's output either exactly or nearly matches the latter segment of the reference. To understand if an entire partition is contaminated, we propose two ideas. The first idea marks a dataset partition as contaminated if the average overlap score with the reference instances (as measured by ROUGE-L or BLEURT) is statistically significantly better with the completions from guided instruction compared to a "general instruction" that does not include the dataset and partition name. The second idea marks a dataset partition as contaminated if a classifier based on GPT-4 with few-shot in-context learning prompt marks multiple generated completions as exact/near-exact matches of the corresponding reference instances. Our best method achieves an accuracy between 92% and 100% in detecting if an LLM is contaminated with seven datasets, containing train and test/validation partitions, when contrasted with manual evaluation by human experts. Further, our findings indicate that GPT-4 is contaminated with AG News, WNLI, and XSum datasets.

Recent research on robustness has revealed significant performance gaps between neural image classifiers trained on datasets that are similar to the test set, and those that are from a naturally shifted distribution, such as sketches, paintings, and animations of the object categories observed during training. Prior work focuses on reducing this gap by designing engineered augmentations of training data or through unsupervised pretraining of a single large model on massive in-the-wild training datasets scraped from the Internet. However, the notion of a dataset is also undergoing a paradigm shift in recent years. With drastic improvements in the quality, ease-of-use, and access to modern generative models, generated data is pervading the web. In this light, we study the question: How do these generated datasets influence the natural robustness of image classifiers? We find that Imagenet classifiers trained on real data augmented with generated data achieve higher accuracy and effective robustness than standard training and popular augmentation strategies in the presence of natural distribution shifts. We analyze various factors influencing these results, including the choice of conditioning strategies and the amount of generated data. Lastly, we introduce and analyze an evolving generated dataset, ImageNet-G-v1, to better benchmark the design, utility, and critique of standalone generated datasets for robust and trustworthy machine learning. The code and datasets are available at https://github.com/Hritikbansal/generative-robustness.

Detecting out-of-distribution (OOD) samples in medical imaging plays an important role for downstream medical diagnosis. However, existing OOD detectors are demonstrated on natural images composed of inter-classes and have difficulty generalizing to medical images. The key issue is the granularity of OOD data in the medical domain, where intra-class OOD samples are predominant. We focus on the generalizability of OOD detection for medical images and propose a self-supervised Cascade Variational autoencoder-based Anomaly Detector (CVAD). We use a variational autoencoders' cascade architecture, which combines latent representation at multiple scales, before being fed to a discriminator to distinguish the OOD data from the in-distribution (ID) data. Finally, both the reconstruction error and the OOD probability predicted by the binary discriminator are used to determine the anomalies. We compare the performance with the state-of-the-art deep learning models to demonstrate our model's efficacy on various open-access medical imaging datasets for both intra- and inter-class OOD. Further extensive results on datasets including common natural datasets show our model's effectiveness and generalizability. The code is available at https://github.com/XiaoyuanGuo/CVAD.

In recent years, persistent homology (PH) has been successfully applied to real-world data in many different settings. Despite significant computational advances, PH algorithms do not yet scale to large datasets preventing interesting applications. One approach to address computational issues posed by PH is to select a set of landmarks by subsampling from the data. Currently, these landmark points are chosen either at random or using the maxmin algorithm. Neither is ideal as random selection tends to favour dense areas of the data while the maxmin algorithm is very sensitive to noise. Here, we propose a novel approach to select landmarks specifically for PH that preserves coarse topological information of the original dataset. Our method is motivated by the Mayer-Vietoris sequence and requires only local PH computation thus enabling efficient computation. We test our landmarks on artificial datasets which contain different levels of noise and compare them to standard landmark selection techniques. We demonstrate that our landmark selection outperforms standard methods as well as a subsampling technique based on an outlier-robust version of the k--means algorithm for low sampling densities in noisy data with respect to robustness to outliers.

One-class learning is the classic problem of fitting a model to data for which annotations are available only for a single class. In this paper, we propose a novel objective for one-class learning. Our key idea is to use a pair of orthonormal frames -- as subspaces -- to "sandwich" the labeled data via optimizing for two objectives jointly: i) minimize the distance between the origins of the two subspaces, and ii) to maximize the margin between the hyperplanes and the data, either subspace demanding the data to be in its positive and negative orthant respectively. Our proposed objective however leads to a non-convex optimization problem, to which we resort to Riemannian optimization schemes and derive an efficient conjugate gradient scheme on the Stiefel manifold. To study the effectiveness of our scheme, we propose a new dataset~Dash-Cam-Pose, consisting of clips with skeleton poses of humans seated in a car, the task being to classify the clips as normal or abnormal; the latter is when any human pose is out-of-position with regard to say an airbag deployment. Our experiments on the proposed Dash-Cam-Pose dataset, as well as several other standard anomaly/novelty detection benchmarks demonstrate the benefits of our scheme, achieving state-of-the-art one-class accuracy.

Recent research advances achieve human-level accuracy for de-identifying free-text clinical notes on research datasets, but gaps remain in reproducing this in large real-world settings. This paper summarizes lessons learned from building a system used to de-identify over one billion real clinical notes, in a fully automated way, that was independently certified by multiple organizations for production use. A fully automated solution requires a very high level of accuracy that does not require manual review. A hybrid context-based model architecture is described, which outperforms a Named Entity Recogniton (NER) - only model by 10% on the i2b2-2014 benchmark. The proposed system makes 50%, 475%, and 575% fewer errors than the comparable AWS, Azure, and GCP services respectively while also outperforming ChatGPT by 33%. It exceeds 98% coverage of sensitive data across 7 European languages, without a need for fine tuning. A second set of described models enable data obfuscation -- replacing sensitive data with random surrogates -- while retaining name, date, gender, clinical, and format consistency. Both the practical need and the solution architecture that provides for reliable & linked anonymized documents are described.

A large-scale deep model pre-trained on massive labeled or unlabeled data transfers well to downstream tasks. Linear evaluation freezes parameters in the pre-trained model and trains a linear classifier separately, which is efficient and attractive for transfer. However, little work has investigated the classifier in linear evaluation except for the default logistic regression. Inspired by the statistical efficiency of naive Bayes, the paper revisits the classical topic on discriminative vs. generative classifiers. Theoretically, the paper considers the surrogate loss instead of the zero-one loss in analyses and generalizes the classical results from binary cases to multiclass ones. We show that, under mild assumptions, multiclass naive Bayes requires O(log n) samples to approach its asymptotic error while the corresponding multiclass logistic regression requires O(n) samples, where n is the feature dimension. To establish it, we present a multiclass H-consistency bound framework and an explicit bound for logistic loss, which are of independent interests. Simulation results on a mixture of Gaussian validate our theoretical findings. Experiments on various pre-trained deep vision models show that naive Bayes consistently converges faster as the number of data increases. Besides, naive Bayes shows promise in few-shot cases and we observe the "two regimes" phenomenon in pre-trained supervised models. Our code is available at https://github.com/ML-GSAI/Revisiting-Dis-vs-Gen-Classifiers.

Zero-Shot Anomaly Detection (ZSAD) is an emerging AD paradigm. Unlike the traditional unsupervised AD setting that requires a large number of normal samples to train a model, ZSAD is more practical for handling data-restricted real-world scenarios. Recently, Multimodal Large Language Models (MLLMs) have shown revolutionary reasoning capabilities in various vision tasks. However, the reasoning of image abnormalities remains underexplored due to the lack of corresponding datasets and benchmarks. To facilitate research in AD & reasoning, we establish the first visual instruction tuning dataset, Anomaly-Instruct-125k, and the evaluation benchmark, VisA-D&R. Through investigation with our benchmark, we reveal that current MLLMs like GPT-4o cannot accurately detect and describe fine-grained anomalous details in images. To address this, we propose Anomaly-OneVision (Anomaly-OV), the first specialist visual assistant for ZSAD and reasoning. Inspired by human behavior in visual inspection, Anomaly-OV leverages a Look-Twice Feature Matching (LTFM) mechanism to adaptively select and emphasize abnormal visual tokens. Extensive experiments demonstrate that Anomaly-OV achieves significant improvements over advanced generalist models in both detection and reasoning. Extensions to medical and 3D AD are provided for future study. The link to our project page: https://xujiacong.github.io/Anomaly-OV/

Developing accurate machine learning models for oncology requires large-scale, high-quality multimodal datasets. However, creating such datasets remains challenging due to the complexity and heterogeneity of medical data. To address this challenge, we introduce HoneyBee, a scalable modular framework for building multimodal oncology datasets that leverages foundational models to generate representative embeddings. HoneyBee integrates various data modalities, including clinical records, imaging data, and patient outcomes. It employs data preprocessing techniques and transformer-based architectures to generate embeddings that capture the essential features and relationships within the raw medical data. The generated embeddings are stored in a structured format using Hugging Face datasets and PyTorch dataloaders for accessibility. Vector databases enable efficient querying and retrieval for machine learning applications. We demonstrate the effectiveness of HoneyBee through experiments assessing the quality and representativeness of the embeddings. The framework is designed to be extensible to other medical domains and aims to accelerate oncology research by providing high-quality, machine learning-ready datasets. HoneyBee is an ongoing open-source effort, and the code, datasets, and models are available at the project repository.

We define and investigate the problem of c-approximate window search: approximate nearest neighbor search where each point in the dataset has a numeric label, and the goal is to find nearest neighbors to queries within arbitrary label ranges. Many semantic search problems, such as image and document search with timestamp filters, or product search with cost filters, are natural examples of this problem. We propose and theoretically analyze a modular tree-based framework for transforming an index that solves the traditional c-approximate nearest neighbor problem into a data structure that solves window search. On standard nearest neighbor benchmark datasets equipped with random label values, adversarially constructed embeddings, and image search embeddings with real timestamps, we obtain up to a 75times speedup over existing solutions at the same level of recall.

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

Zero-shot anomaly detection (ZSAD) methods entail detecting anomalies directly without access to any known normal or abnormal samples within the target item categories. Existing approaches typically rely on the robust generalization capabilities of multimodal pretrained models, computing similarities between manually crafted textual features representing "normal" or "abnormal" semantics and image features to detect anomalies and localize anomalous patches. However, the generic descriptions of "abnormal" often fail to precisely match diverse types of anomalies across different object categories. Additionally, computing feature similarities for single patches struggles to pinpoint specific locations of anomalies with various sizes and scales. To address these issues, we propose a novel ZSAD method called FiLo, comprising two components: adaptively learned Fine-Grained Description (FG-Des) and position-enhanced High-Quality Localization (HQ-Loc). FG-Des introduces fine-grained anomaly descriptions for each category using Large Language Models (LLMs) and employs adaptively learned textual templates to enhance the accuracy and interpretability of anomaly detection. HQ-Loc, utilizing Grounding DINO for preliminary localization, position-enhanced text prompts, and Multi-scale Multi-shape Cross-modal Interaction (MMCI) module, facilitates more accurate localization of anomalies of different sizes and shapes. Experimental results on datasets like MVTec and VisA demonstrate that FiLo significantly improves the performance of ZSAD in both detection and localization, achieving state-of-the-art performance with an image-level AUC of 83.9% and a pixel-level AUC of 95.9% on the VisA dataset. Code is available at https://github.com/CASIA-IVA-Lab/FiLo.

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

Recent advances in multi-modal algorithms have driven and been driven by the increasing availability of large image-text datasets, leading to significant strides in various fields, including computational pathology. However, in most existing medical image-text datasets, the text typically provides high-level summaries that may not sufficiently describe sub-tile regions within a large pathology image. For example, an image might cover an extensive tissue area containing cancerous and healthy regions, but the accompanying text might only specify that this image is a cancer slide, lacking the nuanced details needed for in-depth analysis. In this study, we introduce STimage-1K4M, a novel dataset designed to bridge this gap by providing genomic features for sub-tile images. STimage-1K4M contains 1,149 images derived from spatial transcriptomics data, which captures gene expression information at the level of individual spatial spots within a pathology image. Specifically, each image in the dataset is broken down into smaller sub-image tiles, with each tile paired with 15,000-30,000 dimensional gene expressions. With 4,293,195 pairs of sub-tile images and gene expressions, STimage-1K4M offers unprecedented granularity, paving the way for a wide range of advanced research in multi-modal data analysis an innovative applications in computational pathology, and beyond.

Recently, there has been a growing interest in studying how to construct better code instruction tuning data. However, we observe Code models trained with these datasets exhibit high performance on HumanEval but perform worse on other benchmarks such as LiveCodeBench. Upon further investigation, we find that many datasets suffer from severe data leakage. After cleaning up most of the leaked data, some well-known high-quality datasets perform poorly. This discovery reveals a new challenge: identifying which dataset genuinely qualify as high-quality code instruction data. To address this, we propose an efficient code data pruning strategy for selecting good samples. Our approach is based on three dimensions: instruction complexity, response quality, and instruction diversity. Based on our selected data, we present XCoder, a family of models finetuned from LLaMA3. Our experiments show XCoder achieves new state-of-the-art performance using fewer training data, which verify the effectiveness of our data strategy. Moreover, we perform a comprehensive analysis on the data composition and find existing code datasets have different characteristics according to their construction methods, which provide new insights for future code LLMs. Our models and dataset are released in https://github.com/banksy23/XCoder

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

We introduce a large-scale dataset of math word problems and an interpretable neural math problem solver that learns to map problems to operation programs. Due to annotation challenges, current datasets in this domain have been either relatively small in scale or did not offer precise operational annotations over diverse problem types. We introduce a new representation language to model precise operation programs corresponding to each math problem that aim to improve both the performance and the interpretability of the learned models. Using this representation language, our new dataset, MathQA, significantly enhances the AQuA dataset with fully-specified operational programs. We additionally introduce a neural sequence-to-program model enhanced with automatic problem categorization. Our experiments show improvements over competitive baselines in our MathQA as well as the AQuA dataset. The results are still significantly lower than human performance indicating that the dataset poses new challenges for future research. Our dataset is available at: https://math-qa.github.io/math-QA/

Short-video platforms show an increasing impact on people's daily lives nowadays, with billions of active users spending plenty of time each day. The interactions between users and online platforms give rise to many scientific problems across computational social science and artificial intelligence. However, despite the rapid development of short-video platforms, currently there are serious shortcomings in existing relevant datasets on three aspects: inadequate user-video feedback, limited user attributes and lack of video content. To address these problems, we provide a large-scale dataset with rich user behavior, attributes and video content from a real mobile short-video platform. This dataset covers 10,000 voluntary users and 153,561 videos, and we conduct four-fold technical validations of the dataset. First, we verify the richness of the behavior and attribute data. Second, we confirm the representing ability of the content features. Third, we provide benchmarking results on recommendation algorithms with our dataset. Finally, we explore the filter bubble phenomenon on the platform using the dataset. We believe the dataset could support the broad research community, including but not limited to user modeling, social science, human behavior understanding, etc. The dataset and code is available at https://github.com/tsinghua-fib-lab/ShortVideo_dataset.

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

Knowing the features of a complex system that are highly relevant to a particular target variable is of fundamental interest in many areas of science. Existing approaches are often limited to linear settings, sometimes lack guarantees, and in most cases, do not scale to the problem at hand, in particular to images. We propose DRCFS, a doubly robust feature selection method for identifying the causal features even in nonlinear and high dimensional settings. We provide theoretical guarantees, illustrate necessary conditions for our assumptions, and perform extensive experiments across a wide range of simulated and semi-synthetic datasets. DRCFS significantly outperforms existing state-of-the-art methods, selecting robust features even in challenging highly non-linear and high-dimensional problems.

Large Vision-Language Models (LVLMs) such as MiniGPT-4 and LLaVA have demonstrated the capability of understanding images and achieved remarkable performance in various visual tasks. Despite their strong abilities in recognizing common objects due to extensive training datasets, they lack specific domain knowledge and have a weaker understanding of localized details within objects, which hinders their effectiveness in the Industrial Anomaly Detection (IAD) task. On the other hand, most existing IAD methods only provide anomaly scores and necessitate the manual setting of thresholds to distinguish between normal and abnormal samples, which restricts their practical implementation. In this paper, we explore the utilization of LVLM to address the IAD problem and propose AnomalyGPT, a novel IAD approach based on LVLM. We generate training data by simulating anomalous images and producing corresponding textual descriptions for each image. We also employ an image decoder to provide fine-grained semantic and design a prompt learner to fine-tune the LVLM using prompt embeddings. Our AnomalyGPT eliminates the need for manual threshold adjustments, thus directly assesses the presence and locations of anomalies. Additionally, AnomalyGPT supports multi-turn dialogues and exhibits impressive few-shot in-context learning capabilities. With only one normal shot, AnomalyGPT achieves the state-of-the-art performance with an accuracy of 86.1%, an image-level AUC of 94.1%, and a pixel-level AUC of 95.3% on the MVTec-AD dataset. Code is available at https://github.com/CASIA-IVA-Lab/AnomalyGPT.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.

We present the Wildland-fire Infrared Thermal (WIT-UAS) dataset for long-wave infrared sensing of crew and vehicle assets amidst prescribed wildland fire environments. While such a dataset is crucial for safety monitoring in wildland fire applications, to the authors' awareness, no such dataset focusing on assets near fire is publicly available. Presumably, this is due to the barrier to entry of collaborating with fire management personnel. We present two related data subsets: WIT-UAS-ROS consists of full ROS bag files containing sensor and robot data of UAS flight over the fire, and WIT-UAS-Image contains hand-labeled long-wave infrared (LWIR) images extracted from WIT-UAS-ROS. Our dataset is the first to focus on asset detection in a wildland fire environment. We show that thermal detection models trained without fire data frequently detect false positives by classifying fire as people. By adding our dataset to training, we show that the false positive rate is reduced significantly. Yet asset detection in wildland fire environments is still significantly more challenging than detection in urban environments, due to dense obscuring trees, greater heat variation, and overbearing thermal signal of the fire. We publicize this dataset to encourage the community to study more advanced models to tackle this challenging environment. The dataset, code and pretrained models are available at https://github.com/castacks/WIT-UAS-Dataset.

We apply augmentations to our dataset to enhance the quality of our predictions and make our final models more resilient to noisy data and domain drifts. Yet the question remains, how are these augmentations going to perform with different hyper-parameters? In this study we evaluate the sensitivity of augmentations with regards to the model's hyper parameters along with their consistency and influence by performing a Local Surrogate (LIME) interpretation on the impact of hyper-parameters when different augmentations are applied to a machine learning model. We have utilized Linear regression coefficients for weighing each augmentation. Our research has proved that there are some augmentations which are highly sensitive to hyper-parameters and others which are more resilient and reliable.