Daily Papers

Learning to remember over long timescales is fundamentally challenging for recurrent neural networks (RNNs). While much prior work has explored why RNNs struggle to learn long timescales and how to mitigate this, we still lack a clear understanding of the dynamics involved when RNNs learn long timescales via gradient descent. Here we build a mathematical theory of the learning dynamics of linear RNNs trained to integrate white noise. We show that when the initial recurrent weights are small, the dynamics of learning are described by a low-dimensional system that tracks a single outlier eigenvalue of the recurrent weights. This reveals the precise manner in which the long timescale associated with white noise integration is learned. We extend our analyses to RNNs learning a damped oscillatory filter, and find rich dynamical equations for the evolution of a conjugate pair of outlier eigenvalues. Taken together, our analyses build a rich mathematical framework for studying dynamical learning problems salient for both machine learning and neuroscience.

A collection of robust Mahalanobis distances for multivariate outlier detection is proposed, based on the notion of shrinkage. Robust intensity and scaling factors are optimally estimated to define the shrinkage. Some properties are investigated, such as affine equivariance and breakdown value. The performance of the proposal is illustrated through the comparison to other techniques from the literature, in a simulation study and with a real dataset. The behavior when the underlying distribution is heavy-tailed or skewed, shows the appropriateness of the method when we deviate from the common assumption of normality. The resulting high correct detection rates and low false detection rates in the vast majority of cases, as well as the significantly smaller computation time shows the advantages of our proposal.

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.

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.

We rigorously study the joint evolution of training dynamics via stochastic gradient descent (SGD) and the spectra of empirical Hessian and gradient matrices. We prove that in two canonical classification tasks for multi-class high-dimensional mixtures and either 1 or 2-layer neural networks, the SGD trajectory rapidly aligns with emerging low-rank outlier eigenspaces of the Hessian and gradient matrices. Moreover, in multi-layer settings this alignment occurs per layer, with the final layer's outlier eigenspace evolving over the course of training, and exhibiting rank deficiency when the SGD converges to sub-optimal classifiers. This establishes some of the rich predictions that have arisen from extensive numerical studies in the last decade about the spectra of Hessian and information matrices over the course of training in overparametrized networks.

Graph-level anomaly detection has gained significant attention as it finds applications in various domains, such as cancer diagnosis and enzyme prediction. However, existing methods fail to capture the spectral properties of graph anomalies, resulting in unexplainable framework design and unsatisfying performance. In this paper, we re-investigate the spectral differences between anomalous and normal graphs. Our main observation shows a significant disparity in the accumulated spectral energy between these two classes. Moreover, we prove that the accumulated spectral energy of the graph signal can be represented by its Rayleigh Quotient, indicating that the Rayleigh Quotient is a driving factor behind the anomalous properties of graphs. Motivated by this, we propose Rayleigh Quotient Graph Neural Network (RQGNN), the first spectral GNN that explores the inherent spectral features of anomalous graphs for graph-level anomaly detection. Specifically, we introduce a novel framework with two components: the Rayleigh Quotient learning component (RQL) and Chebyshev Wavelet GNN with RQ-pooling (CWGNN-RQ). RQL explicitly captures the Rayleigh Quotient of graphs and CWGNN-RQ implicitly explores the spectral space of graphs. Extensive experiments on 10 real-world datasets show that RQGNN outperforms the best rival by 6.74% in Macro-F1 score and 1.44% in AUC, demonstrating the effectiveness of our framework. Our code is available at https://github.com/xydong127/RQGNN.

Time series anomaly detection forms a very crucial area in several domains but poses substantial challenges. Due to time series data possessing seasonality, trends, noise, and evolving patterns (concept drift), it becomes very difficult to set a general notion of what constitutes normal behavior. Anomalies themselves could be varied, ranging from a single outlier to contextual or collective anomalies, and are normally very rare; hence, the dataset is largely imbalanced. Additional layers of complexities arise due to the problems of increased dimensionality of modern time series, real-time detection criteria, setting up appropriate detection thresholds, and arriving at results that are interpretable. To embrace these multifaceted challenges, very strong, flexible, and interpretable approaches are required. This paper presents THEMIS, a new framework for time series anomaly detection that exploits pretrained knowledge from foundation models. THEMIS extracts embeddings from the encoder of the Chronos time series foundation model and applies outlier detection techniques like Local Outlier Factor and Spectral Decomposition on the self-similarity matrix, to spot anomalies in the data. Our experiments show that this modular method achieves SOTA results on the MSL dataset and performs quite competitively on the SMAP and SWAT^* datasets. Notably, THEMIS exceeds models trained specifically for anomaly detection, presenting hyperparameter robustness and interpretability by default. This paper advocates for pretrained representations from foundation models for performing efficient and adaptable anomaly detection for time series 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.

Class imbalance (CI) is a longstanding problem in machine learning, slowing down training and reducing performances. Although empirical remedies exist, it is often unclear which ones work best and when, due to the lack of an overarching theory. We address a common case of imbalance, that of anomaly (or outlier) detection. We provide a theoretical framework to analyze, interpret and address CI. It is based on an exact solution of the teacher-student perceptron model, through replica theory. Within this framework, one can distinguish several sources of CI: either intrinsic, train or test imbalance. Our analysis reveals that the optimal train imbalance is generally different from 50%, with a non trivial dependence on the intrinsic imbalance, the abundance of data and on the noise in the learning. Moreover, there is a crossover between a small noise training regime where results are independent of the noise level to a high noise regime where performances quickly degrade with noise. Our results challenge some of the conventional wisdom on CI and offer practical guidelines to address it.

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.

Mechanical defects in real situations affect observation values and cause abnormalities in multivariate time series, such as sensor values or network data. To perceive abnormalities in such data, it is crucial to understand the temporal context and interrelation between variables simultaneously. The anomaly detection task for time series, especially for unlabeled data, has been a challenging problem, and we address it by applying a suitable data degradation scheme to self-supervised model training. We define four types of synthetic outliers and propose the degradation scheme in which a portion of input data is replaced with one of the synthetic outliers. Inspired by the self-attention mechanism, we design a Transformer-based architecture to recognize the temporal context and detect unnatural sequences with high efficiency. Our model converts multivariate data points into temporal representations with relative position bias and yields anomaly scores from these representations. Our method, AnomalyBERT, shows a great capability of detecting anomalies contained in complex time series and surpasses previous state-of-the-art methods on five real-world benchmarks. Our code is available at https://github.com/Jhryu30/AnomalyBERT.

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.

Conventional semi-supervised learning (SSL) ideally assumes that labeled and unlabeled data share an identical class distribution, however in practice, this assumption is easily violated, as unlabeled data often includes unknown class data, i.e., outliers. The outliers are treated as noise, considerably degrading the performance of SSL models. To address this drawback, we propose a novel framework, Diversify and Conquer (DAC), to enhance SSL robustness in the context of open-set semi-supervised learning. In particular, we note that existing open-set SSL methods rely on prediction discrepancies between inliers and outliers from a single model trained on labeled data. This approach can be easily failed when the labeled data is insufficient, leading to performance degradation that is worse than naive SSL that do not account for outliers. In contrast, our approach exploits prediction disagreements among multiple models that are differently biased towards the unlabeled distribution. By leveraging the discrepancies arising from training on unlabeled data, our method enables robust outlier detection even when the labeled data is underspecified. Our key contribution is constructing a collection of differently biased models through a single training process. By encouraging divergent heads to be differently biased towards outliers while making consistent predictions for inliers, we exploit the disagreement among these heads as a measure to identify unknown concepts. Our code is available at https://github.com/heejokong/DivCon.

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.

Charts play a critical role in data analysis and visualization, yet real-world applications often present charts with challenging or noisy features. However, "outlier charts" pose a substantial challenge even for Multimodal Large Language Models (MLLMs), which can struggle to interpret perturbed charts. In this work, we introduce CHAOS (CHart Analysis with Outlier Samples), a robustness benchmark to systematically evaluate MLLMs against chart perturbations. CHAOS encompasses five types of textual and ten types of visual perturbations, each presented at three levels of severity (easy, mid, hard) inspired by the study result of human evaluation. The benchmark includes 13 state-of-the-art MLLMs divided into three groups (i.e., general-, document-, and chart-specific models) according to the training scope and data. Comprehensive analysis involves two downstream tasks (ChartQA and Chart-to-Text). Extensive experiments and case studies highlight critical insights into robustness of models across chart perturbations, aiming to guide future research in chart understanding domain. Data and code are publicly available at: http://huggingface.co/datasets/omoured/CHAOS.

Outlier detection (OD) has a vast literature as it finds numerous real-world applications. Being an unsupervised task, model selection is a key bottleneck for OD without label supervision. Despite a long list of available OD algorithms with tunable hyperparameters, the lack of systematic approaches for unsupervised algorithm and hyperparameter selection limits their effective use in practice. In this paper, we present FoMo-0D, a pre-trained Foundation Model for zero/0-shot OD on tabular data, which bypasses the hurdle of model selection altogether. Having been pre-trained on synthetic data, FoMo-0D can directly predict the (outlier/inlier) label of test samples without parameter fine-tuning -- requiring no labeled data, and no additional training or hyperparameter tuning when given a new task. Extensive experiments on 57 real-world datasets against 26 baselines show that FoMo-0D is highly competitive; outperforming the majority of the baselines with no statistically significant difference from the 2nd best method. Further, FoMo-0D is efficient in inference time requiring only 7.7 ms per sample on average, with at least 7x speed-up compared to previous methods. To facilitate future research, our implementations for data synthesis and pre-training as well as model checkpoints are openly available at https://github.com/A-Chicharito-S/FoMo-0D.

We study the properties of common loss surfaces through their Hessian matrix. In particular, in the context of deep learning, we empirically show that the spectrum of the Hessian is composed of two parts: (1) the bulk centered near zero, (2) and outliers away from the bulk. We present numerical evidence and mathematical justifications to the following conjectures laid out by Sagun et al. (2016): Fixing data, increasing the number of parameters merely scales the bulk of the spectrum; fixing the dimension and changing the data (for instance adding more clusters or making the data less separable) only affects the outliers. We believe that our observations have striking implications for non-convex optimization in high dimensions. First, the flatness of such landscapes (which can be measured by the singularity of the Hessian) implies that classical notions of basins of attraction may be quite misleading. And that the discussion of wide/narrow basins may be in need of a new perspective around over-parametrization and redundancy that are able to create large connected components at the bottom of the landscape. Second, the dependence of small number of large eigenvalues to the data distribution can be linked to the spectrum of the covariance matrix of gradients of model outputs. With this in mind, we may reevaluate the connections within the data-architecture-algorithm framework of a model, hoping that it would shed light into the geometry of high-dimensional and non-convex spaces in modern applications. In particular, we present a case that links the two observations: small and large batch gradient descent appear to converge to different basins of attraction but we show that they are in fact connected through their flat region and so belong to the same basin.

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.

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.

Principal Component Analysis (PCA) is a popular tool for dimensionality reduction and feature extraction in data analysis. There is a probabilistic version of PCA, known as Probabilistic PCA (PPCA). However, standard PCA and PPCA are not robust, as they are sensitive to outliers. To alleviate this problem, this paper introduces the Self-Paced Learning mechanism into PPCA, and proposes a novel method called Self-Paced Probabilistic Principal Component Analysis (SP-PPCA). Furthermore, we design the corresponding optimization algorithm based on the alternative search strategy and the expectation-maximization algorithm. SP-PPCA looks for optimal projection vectors and filters out outliers iteratively. Experiments on both synthetic problems and real-world datasets clearly demonstrate that SP-PPCA is able to reduce or eliminate the impact of outliers.

This paper introduces a novel method for eigenvalue computation using a distributed cooperative neural network framework. Unlike traditional techniques that face scalability challenges in large systems, our decentralized algorithm enables multiple autonomous agents to collaboratively estimate the smallest eigenvalue of large matrices. Each agent employs a localized neural network, refining its estimates through communication with neighboring agents. Our empirical results confirm the algorithm's convergence towards the true eigenvalue, with estimates clustered closely around the true value. Even in the presence of communication delays or network disruptions, the method demonstrates strong robustness and scalability. Theoretical analysis further validates the accuracy and stability of the proposed approach, while empirical tests highlight its efficiency and precision, surpassing traditional centralized algorithms in large-scale eigenvalue computations.

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.

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.

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.

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.

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.

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.

Transformers can learn to perform numerical computations from examples only. I study nine problems of linear algebra, from basic matrix operations to eigenvalue decomposition and inversion, and introduce and discuss four encoding schemes to represent real numbers. On all problems, transformers trained on sets of random matrices achieve high accuracies (over 90%). The models are robust to noise, and can generalize out of their training distribution. In particular, models trained to predict Laplace-distributed eigenvalues generalize to different classes of matrices: Wigner matrices or matrices with positive eigenvalues. The reverse is not true.

We look at the eigenvalues of the Hessian of a loss function before and after training. The eigenvalue distribution is seen to be composed of two parts, the bulk which is concentrated around zero, and the edges which are scattered away from zero. We present empirical evidence for the bulk indicating how over-parametrized the system is, and for the edges that depend on the input data.

Outliers introduce significant training challenges in neural networks by propagating erroneous gradients, which can degrade model performance and generalization. We propose the Z-Error Loss, a statistically principled approach that minimizes outlier influence during training by masking the contribution of data points identified as out-of-distribution within each batch. This method leverages batch-level statistics to automatically detect and exclude anomalous samples, allowing the model to focus its learning on the true underlying data structure. Our approach is robust, adaptive to data quality, and provides valuable diagnostics for data curation and cleaning.

Accelerated stochastic gradient descent (ASGD) is a workhorse in deep learning and often achieves better generalization performance than SGD. However, existing optimization theory can only explain the faster convergence of ASGD, but cannot explain its better generalization. In this paper, we study the generalization of ASGD for overparameterized linear regression, which is possibly the simplest setting of learning with overparameterization. We establish an instance-dependent excess risk bound for ASGD within each eigen-subspace of the data covariance matrix. Our analysis shows that (i) ASGD outperforms SGD in the subspace of small eigenvalues, exhibiting a faster rate of exponential decay for bias error, while in the subspace of large eigenvalues, its bias error decays slower than SGD; and (ii) the variance error of ASGD is always larger than that of SGD. Our result suggests that ASGD can outperform SGD when the difference between the initialization and the true weight vector is mostly confined to the subspace of small eigenvalues. Additionally, when our analysis is specialized to linear regression in the strongly convex setting, it yields a tighter bound for bias error than the best-known result.

We consider the problem of linear estimation, and establish an extension of the Gauss-Markov theorem, in which the bias operator is allowed to be non-zero but bounded with respect to a matrix norm of Schatten type. We derive simple and explicit formulas for the optimal estimator in the cases of Nuclear and Spectral norms (with the Frobenius case recovering ridge regression). Additionally, we analytically derive the generalization error in multiple random matrix ensembles, and compare with Ridge regression. Finally, we conduct an extensive simulation study, in which we show that the cross-validated Nuclear and Spectral regressors can outperform Ridge in several circumstances.

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.

Outliers have been widely observed in Large Language Models (LLMs), significantly impacting model performance and posing challenges for model compression. Understanding the functionality and formation mechanisms of these outliers is critically important. Existing works, however, largely focus on reducing the impact of outliers from an algorithmic perspective, lacking an in-depth investigation into their causes and roles. In this work, we provide a detailed analysis of the formation process, underlying causes, and functions of outliers in LLMs. We define and categorize three types of outliers-activation outliers, weight outliers, and attention outliers-and analyze their distributions across different dimensions, uncovering inherent connections between their occurrences and their ultimate influence on the attention mechanism. Based on these observations, we hypothesize and explore the mechanisms by which these outliers arise and function, demonstrating through theoretical derivations and experiments that they emerge due to the self-attention mechanism's softmax operation. These outliers act as implicit context-aware scaling factors within the attention mechanism. As these outliers stem from systematic influences, we term them systematic outliers. Our study not only enhances the understanding of Transformer-based LLMs but also shows that structurally eliminating outliers can accelerate convergence and improve model compression. The code is avilable at https://github.com/an-yongqi/systematic-outliers.

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.

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.

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.

One of the challenges of quantizing a large language model (LLM) is the presence of outliers. Outliers often make uniform quantization schemes less effective, particularly in extreme cases such as 4-bit quantization. We introduce KurTail, a new post-training quantization (PTQ) scheme that leverages Kurtosis-based rotation to mitigate outliers in the activations of LLMs. Our method optimizes Kurtosis as a measure of tailedness. This approach enables the quantization of weights, activations, and the KV cache in 4 bits. We utilize layer-wise optimization, ensuring memory efficiency. KurTail outperforms existing quantization methods, offering a 13.3\% boost in MMLU accuracy and a 15.5\% drop in Wiki perplexity compared to QuaRot. It also outperforms SpinQuant with a 2.6\% MMLU gain and reduces perplexity by 2.9\%, all while reducing the training cost. For comparison, learning the rotation using SpinQuant for Llama3-70B requires at least four NVIDIA H100 80GB GPUs, whereas our method requires only a single GPU, making it a more accessible solution for consumer GPU.

In this paper I investigate the effect of random seed selection on the accuracy when using popular deep learning architectures for computer vision. I scan a large amount of seeds (up to 10^4) on CIFAR 10 and I also scan fewer seeds on Imagenet using pre-trained models to investigate large scale datasets. The conclusions are that even if the variance is not very large, it is surprisingly easy to find an outlier that performs much better or much worse than the average.

Hyperspectral unmixing (HU) plays a fundamental role in a wide range of hyperspectral applications. It is still challenging due to the common presence of outlier channels and the large solution space. To address the above two issues, we propose a novel model by emphasizing both robust representation and learning-based sparsity. Specifically, we apply the ell_{2,1}-norm to measure the representation error, preventing outlier channels from dominating our objective. In this way, the side effects of outlier channels are greatly relieved. Besides, we observe that the mixed level of each pixel varies over image grids. Based on this observation, we exploit a learning-based sparsity method to simultaneously learn the HU results and a sparse guidance map. Via this guidance map, the sparsity constraint in the ell_{p}!left(!0!<! p!leq!1right)-norm is adaptively imposed according to the learnt mixed level of each pixel. Compared with state-of-the-art methods, our model is better suited to the real situation, thus expected to achieve better HU results. The resulted objective is highly non-convex and non-smooth, and so it is hard to optimize. As a profound theoretical contribution, we propose an efficient algorithm to solve it. Meanwhile, the convergence proof and the computational complexity analysis are systematically provided. Extensive evaluations verify that our method is highly promising for the HU task---it achieves very accurate guidance maps and much better HU results compared with state-of-the-art methods.

The Invariant Risk Minimization (IRM) principle was first proposed by Arjovsky et al. [2019] to address the domain generalization problem by leveraging data heterogeneity from differing experimental conditions. Specifically, IRM seeks to find a data representation under which an optimal classifier remains invariant across all domains. Despite the conceptual appeal of IRM, the effectiveness of the originally proposed invariance penalty has recently been brought into question. In particular, there exists counterexamples for which that invariance penalty can be arbitrarily small for non-invariant data representations. We propose an alternative invariance penalty by revisiting the Gramian matrix of the data representation. We discuss the role of its eigenvalues in the relationship between the risk and the invariance penalty, and demonstrate that it is ill-conditioned for said counterexamples. The proposed approach is guaranteed to recover an invariant representation for linear settings under mild non-degeneracy conditions. Its effectiveness is substantiated by experiments on DomainBed and InvarianceUnitTest, two extensive test beds for domain generalization.

Most value function learning algorithms in reinforcement learning are based on the mean squared (projected) Bellman error. However, squared errors are known to be sensitive to outliers, both skewing the solution of the objective and resulting in high-magnitude and high-variance gradients. To control these high-magnitude updates, typical strategies in RL involve clipping gradients, clipping rewards, rescaling rewards, or clipping errors. While these strategies appear to be related to robust losses -- like the Huber loss -- they are built on semi-gradient update rules which do not minimize a known loss. In this work, we build on recent insights reformulating squared Bellman errors as a saddlepoint optimization problem and propose a saddlepoint reformulation for a Huber Bellman error and Absolute Bellman error. We start from a formalization of robust losses, then derive sound gradient-based approaches to minimize these losses in both the online off-policy prediction and control settings. We characterize the solutions of the robust losses, providing insight into the problem settings where the robust losses define notably better solutions than the mean squared Bellman error. Finally, we show that the resulting gradient-based algorithms are more stable, for both prediction and control, with less sensitivity to meta-parameters.

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.

We study the cost of overfitting in noisy kernel ridge regression (KRR), which we define as the ratio between the test error of the interpolating ridgeless model and the test error of the optimally-tuned model. We take an "agnostic" view in the following sense: we consider the cost as a function of sample size for any target function, even if the sample size is not large enough for consistency or the target is outside the RKHS. We analyze the cost of overfitting under a Gaussian universality ansatz using recently derived (non-rigorous) risk estimates in terms of the task eigenstructure. Our analysis provides a more refined characterization of benign, tempered and catastrophic overfitting (cf. Mallinar et al. 2022).

Designing effective positional encodings for graphs is key to building powerful graph transformers and enhancing message-passing graph neural networks. Although widespread, using Laplacian eigenvectors as positional encodings faces two fundamental challenges: (1) Non-uniqueness: there are many different eigendecompositions of the same Laplacian, and (2) Instability: small perturbations to the Laplacian could result in completely different eigenspaces, leading to unpredictable changes in positional encoding. Despite many attempts to address non-uniqueness, most methods overlook stability, leading to poor generalization on unseen graph structures. We identify the cause of instability to be a "hard partition" of eigenspaces. Hence, we introduce Stable and Expressive Positional Encodings (SPE), an architecture for processing eigenvectors that uses eigenvalues to "softly partition" eigenspaces. SPE is the first architecture that is (1) provably stable, and (2) universally expressive for basis invariant functions whilst respecting all symmetries of eigenvectors. Besides guaranteed stability, we prove that SPE is at least as expressive as existing methods, and highly capable of counting graph structures. Finally, we evaluate the effectiveness of our method on molecular property prediction, and out-of-distribution generalization tasks, finding improved generalization compared to existing positional encoding methods.

The trade-off between regret and computational cost is a fundamental problem for online kernel regression, and previous algorithms worked on the trade-off can not keep optimal regret bounds at a sublinear computational complexity. In this paper, we propose two new algorithms, AOGD-ALD and NONS-ALD, which can keep nearly optimal regret bounds at a sublinear computational complexity, and give sufficient conditions under which our algorithms work. Both algorithms dynamically maintain a group of nearly orthogonal basis used to approximate the kernel mapping, and keep nearly optimal regret bounds by controlling the approximate error. The number of basis depends on the approximate error and the decay rate of eigenvalues of the kernel matrix. If the eigenvalues decay exponentially, then AOGD-ALD and NONS-ALD separately achieves a regret of O(L(f)) and O(d_{eff}(mu)T) at a computational complexity in O(ln^2{T}). If the eigenvalues decay polynomially with degree pgeq 1, then our algorithms keep the same regret bounds at a computational complexity in o(T) in the case of p>4 and pgeq 10, respectively. L(f) is the cumulative losses of f and d_{eff}(mu) is the effective dimension of the problem. The two regret bounds are nearly optimal and are not comparable.

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.

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.

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.

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.

In anomaly segmentation for complex driving scenes, state-of-the-art approaches utilize anomaly scoring functions to calculate anomaly scores. For these functions, accurately predicting the logits of inlier classes for each pixel is crucial for precisely inferring the anomaly score. However, in real-world driving scenarios, the diversity of scenes often results in distorted manifolds of pixel embeddings in the space. This effect is not conducive to directly using the pixel embeddings for the logit prediction during inference, a concern overlooked by existing methods. To address this problem, we propose a novel method called Random Walk on Pixel Manifolds (RWPM). RWPM utilizes random walks to reveal the intrinsic relationships among pixels to refine the pixel embeddings. The refined pixel embeddings alleviate the distortion of manifolds, improving the accuracy of anomaly scores. Our extensive experiments show that RWPM consistently improve the performance of the existing anomaly segmentation methods and achieve the best results. Code is available at: https://github.com/ZelongZeng/RWPM.

Quantizing the activations of large language models (LLMs) has been a significant challenge due to the presence of structured outliers. Most existing methods focus on the per-token or per-tensor quantization of activations, making it difficult to achieve both accuracy and hardware efficiency. To address this problem, we propose OutlierTune, an efficient per-channel post-training quantization (PTQ) method for the activations of LLMs. OutlierTune consists of two components: pre-execution of dequantization and symmetrization. The pre-execution of dequantization updates the model weights by the activation scaling factors, avoiding the internal scaling and costly additional computational overheads brought by the per-channel activation quantization. The symmetrization further reduces the quantization differences arising from the weight updates by ensuring the balanced numerical ranges across different activation channels. OutlierTune is easy to implement and hardware-efficient, introducing almost no additional computational overheads during the inference. Extensive experiments show that the proposed framework outperforms existing methods across multiple different tasks. Demonstrating better generalization, this framework improves the Int6 quantization of the instruction-tuning LLMs, such as OPT-IML, to the same level as half-precision (FP16). Moreover, we have shown that the proposed framework is 1.48x faster than the FP16 implementation while reducing approximately 2x memory usage.

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.

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

Anomaly detection in multivariate time series data is of paramount importance for ensuring the efficient operation of large-scale systems across diverse domains. However, accurately detecting anomalies in such data poses significant challenges. Existing approaches, including forecasting and reconstruction-based methods, struggle to address these challenges effectively. To overcome these limitations, we propose a novel anomaly detection framework named ImDiffusion, which combines time series imputation and diffusion models to achieve accurate and robust anomaly detection. The imputation-based approach employed by ImDiffusion leverages the information from neighboring values in the time series, enabling precise modeling of temporal and inter-correlated dependencies, reducing uncertainty in the data, thereby enhancing the robustness of the anomaly detection process. ImDiffusion further leverages diffusion models as time series imputers to accurately capturing complex dependencies. We leverage the step-by-step denoised outputs generated during the inference process to serve as valuable signals for anomaly prediction, resulting in improved accuracy and robustness of the detection process. We evaluate the performance of ImDiffusion via extensive experiments on benchmark datasets. The results demonstrate that our proposed framework significantly outperforms state-of-the-art approaches in terms of detection accuracy and timeliness. ImDiffusion is further integrated into the real production system in Microsoft and observe a remarkable 11.4% increase in detection F1 score compared to the legacy approach. To the best of our knowledge, ImDiffusion represents a pioneering approach that combines imputation-based techniques with time series anomaly detection, while introducing the novel use of diffusion models to the field.

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 identify OOD inputs from unknown classes, which is important for the reliable deployment of machine learning models in the open world. Various scoring functions are proposed to distinguish it from in-distribution (ID) data. However, existing methods generally focus on excavating the discriminative information from a single input, which implicitly limits its representation dimension. In this work, we introduce a novel perspective, i.e., employing different common corruptions on the input space, to expand that. We reveal an interesting phenomenon termed confidence mutation, where the confidence of OOD data can decrease significantly under the corruptions, while the ID data shows a higher confidence expectation considering the resistance of semantic features. Based on that, we formalize a new scoring method, namely, Confidence aVerage (CoVer), which can capture the dynamic differences by simply averaging the scores obtained from different corrupted inputs and the original ones, making the OOD and ID distributions more separable in detection tasks. Extensive experiments and analyses have been conducted to understand and verify the effectiveness of CoVer. The code is publicly available at: https://github.com/tmlr-group/CoVer.

Reliable anomaly detection is essential for ensuring the safety of autonomous robots, particularly when conventional detection systems based on vision or LiDAR become unreliable in adverse or unpredictable conditions. In such scenarios, alternative sensing modalities are needed to provide timely and robust feedback. To this end, we explore the use of audio and inertial measurement unit (IMU) sensors to detect underlying anomalies in autonomous mobile robots, such as collisions and internal mechanical faults. Furthermore, to address the challenge of limited labeled anomaly data, we propose an unsupervised anomaly detection framework based on Mahalanobis Support Vector Data Description (M-SVDD). In contrast to conventional SVDD methods that rely on Euclidean distance and assume isotropic feature distributions, our approach employs the Mahalanobis distance to adaptively scale feature dimensions and capture inter-feature correlations, enabling more expressive decision boundaries. In addition, a reconstruction-based auxiliary branch is introduced to preserve feature diversity and prevent representation collapse, further enhancing the robustness of anomaly detection. Extensive experiments on a collected mobile robot dataset and four public datasets demonstrate the effectiveness of the proposed method, as shown in the video https://youtu.be/yh1tn6DDD4A. Code and dataset are available at https://github.com/jamesyang7/M-SVDD.

A ubiquitous feature of data of our era is their extra-large sizes and dimensions. Analyzing such high-dimensional data poses significant challenges, since the feature dimension is often much larger than the sample size. This thesis introduces robust and computationally efficient methods to address several common challenges associated with high-dimensional data. In my first manuscript, I propose a coherent approach to variable screening that accommodates nonlinear associations. I develop a novel variable screening method that transcends traditional linear assumptions by leveraging mutual information, with an intended application in neuroimaging data. This approach allows for accurate identification of important variables by capturing nonlinear as well as linear relationships between the outcome and covariates. Building on this foundation, I develop new optimization methods for sparse estimation using nonconvex penalties in my second manuscript. These methods address notable challenges in current statistical computing practices, facilitating computationally efficient and robust analyses of complex datasets. The proposed method can be applied to a general class of optimization problems. In my third manuscript, I contribute to robust modeling of high-dimensional correlated observations by developing a mixed-effects model based on Tsallis power-law entropy maximization and discussed the theoretical properties of such distribution. This model surpasses the constraints of conventional Gaussian models by accommodating a broader class of distributions with enhanced robustness to outliers. Additionally, I develop a proximal nonlinear conjugate gradient algorithm that accelerates convergence while maintaining numerical stability, along with rigorous statistical properties for the proposed framework.

There are several applications of stochastic optimization where one can benefit from a robust estimate of the gradient. For example, domains such as distributed learning with corrupted nodes, the presence of large outliers in the training data, learning under privacy constraints, or even heavy-tailed noise due to the dynamics of the algorithm itself. Here we study SGD with robust gradient estimators based on estimating the median. We first consider computing the median gradient across samples, and show that the resulting method can converge even under heavy-tailed, state-dependent noise. We then derive iterative methods based on the stochastic proximal point method for computing the geometric median and generalizations thereof. Finally we propose an algorithm estimating the median gradient across iterations, and find that several well known methods - in particular different forms of clipping - are particular cases of this framework.

Machine learning models are often used to inform real world risk assessment tasks: predicting consumer default risk, predicting whether a person suffers from a serious illness, or predicting a person's risk to appear in court. Given multiple models that perform almost equally well for a prediction task, to what extent do predictions vary across these models? If predictions are relatively consistent for similar models, then the standard approach of choosing the model that optimizes a penalized loss suffices. But what if predictions vary significantly for similar models? In machine learning, this is referred to as predictive multiplicity i.e. the prevalence of conflicting predictions assigned by near-optimal competing models. In this paper, we present a framework for measuring predictive multiplicity in probabilistic classification (predicting the probability of a positive outcome). We introduce measures that capture the variation in risk estimates over the set of competing models, and develop optimization-based methods to compute these measures efficiently and reliably for convex empirical risk minimization problems. We demonstrate the incidence and prevalence of predictive multiplicity in real-world tasks. Further, we provide insight into how predictive multiplicity arises by analyzing the relationship between predictive multiplicity and data set characteristics (outliers, separability, and majority-minority structure). Our results emphasize the need to report predictive multiplicity more widely.

Learning-based outlier (mismatched correspondence) rejection for robust 3D registration generally formulates the outlier removal as an inlier/outlier classification problem. The core for this to be successful is to learn the discriminative inlier/outlier feature representations. In this paper, we develop a novel variational non-local network-based outlier rejection framework for robust alignment. By reformulating the non-local feature learning with variational Bayesian inference, the Bayesian-driven long-range dependencies can be modeled to aggregate discriminative geometric context information for inlier/outlier distinction. Specifically, to achieve such Bayesian-driven contextual dependencies, each query/key/value component in our non-local network predicts a prior feature distribution and a posterior one. Embedded with the inlier/outlier label, the posterior feature distribution is label-dependent and discriminative. Thus, pushing the prior to be close to the discriminative posterior in the training step enables the features sampled from this prior at test time to model high-quality long-range dependencies. Notably, to achieve effective posterior feature guidance, a specific probabilistic graphical model is designed over our non-local model, which lets us derive a variational low bound as our optimization objective for model training. Finally, we propose a voting-based inlier searching strategy to cluster the high-quality hypothetical inliers for transformation estimation. Extensive experiments on 3DMatch, 3DLoMatch, and KITTI datasets verify the effectiveness of our method.

In this work, we study the performance of sub-gradient method (SubGM) on a natural nonconvex and nonsmooth formulation of low-rank matrix recovery with ell_1-loss, where the goal is to recover a low-rank matrix from a limited number of measurements, a subset of which may be grossly corrupted with noise. We study a scenario where the rank of the true solution is unknown and over-estimated instead. The over-estimation of the rank gives rise to an over-parameterized model in which there are more degrees of freedom than needed. Such over-parameterization may lead to overfitting, or adversely affect the performance of the algorithm. We prove that a simple SubGM with small initialization is agnostic to both over-parameterization and noise in the measurements. In particular, we show that small initialization nullifies the effect of over-parameterization on the performance of SubGM, leading to an exponential improvement in its convergence rate. Moreover, we provide the first unifying framework for analyzing the behavior of SubGM under both outlier and Gaussian noise models, showing that SubGM converges to the true solution, even under arbitrarily large and arbitrarily dense noise values, and--perhaps surprisingly--even if the globally optimal solutions do not correspond to the ground truth. At the core of our results is a robust variant of restricted isometry property, called Sign-RIP, which controls the deviation of the sub-differential of the ell_1-loss from that of an ideal, expected loss. As a byproduct of our results, we consider a subclass of robust low-rank matrix recovery with Gaussian measurements, and show that the number of required samples to guarantee the global convergence of SubGM is independent of the over-parameterized rank.

Let G be a graph with adjacency matrix A(G). We conjecture that \[2n^+(G) \le n^-(G)(n^-(G) + 1),\] where n^+(G) and n^-(G) denote the number of positive and negative eigenvalues of A(G), respectively. This conjecture generalizes to all graphs the well-known absolute bound for strongly regular graphs. The conjecture also relates to a question posed by Torgasev. We prove the conjecture for special graph families, including line graphs and planar graphs, and provide examples where the conjecture is exact. We also conjecture that for any connected graph G, its line graph L(G) satisfies n^+(L(G)) le n^-(L(G)) + 1 and obtain partial results.

With the growth of model and data sizes, a broad effort has been made to design pruning techniques that reduce the resource demand of deep learning pipelines, while retaining model performance. In order to reduce both inference and training costs, a prominent line of work uses low-rank matrix factorizations to represent the network weights. Although able to retain accuracy, we observe that low-rank methods tend to compromise model robustness against adversarial perturbations. By modeling robustness in terms of the condition number of the neural network, we argue that this loss of robustness is due to the exploding singular values of the low-rank weight matrices. Thus, we introduce a robust low-rank training algorithm that maintains the network's weights on the low-rank matrix manifold while simultaneously enforcing approximate orthonormal constraints. The resulting model reduces both training and inference costs while ensuring well-conditioning and thus better adversarial robustness, without compromising model accuracy. This is shown by extensive numerical evidence and by our main approximation theorem that shows the computed robust low-rank network well-approximates the ideal full model, provided a highly performing low-rank sub-network exists.

In Part I, we created an ensemble based on Spherical Fourier Neural Operators. As initial condition perturbations, we used bred vectors, and as model perturbations, we used multiple checkpoints trained independently from scratch. Based on diagnostics that assess the ensemble's physical fidelity, our ensemble has comparable performance to operational weather forecasting systems. However, it requires orders of magnitude fewer computational resources. Here in Part II, we generate a huge ensemble (HENS), with 7,424 members initialized each day of summer 2023. We enumerate the technical requirements for running huge ensembles at this scale. HENS precisely samples the tails of the forecast distribution and presents a detailed sampling of internal variability. HENS has two primary applications: (1) as a large dataset with which to study the statistics and drivers of extreme weather and (2) as a weather forecasting system. For extreme climate statistics, HENS samples events 4sigma away from the ensemble mean. At each grid cell, HENS increases the skill of the most accurate ensemble member and enhances coverage of possible future trajectories. As a weather forecasting model, HENS issues extreme weather forecasts with better uncertainty quantification. It also reduces the probability of outlier events, in which the verification value lies outside the ensemble forecast distribution.

Previous work has shown that the representations output by contextual language models are more anisotropic than static type embeddings, and typically display outlier dimensions. This seems to be true for both monolingual and multilingual models, although much less work has been done on the multilingual context. Why these outliers occur and how they affect the representations is still an active area of research. We investigate outlier dimensions and their relationship to anisotropy in multiple pre-trained multilingual language models. We focus on cross-lingual semantic similarity tasks, as these are natural tasks for evaluating multilingual representations. Specifically, we examine sentence representations. Sentence transformers which are fine-tuned on parallel resources (that are not always available) perform better on this task, and we show that their representations are more isotropic. However, we aim to improve multilingual representations in general. We investigate how much of the performance difference can be made up by only transforming the embedding space without fine-tuning, and visualise the resulting spaces. We test different operations: Removing individual outlier dimensions, cluster-based isotropy enhancement, and ZCA whitening. We publish our code for reproducibility.

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.

Large language models have demonstrated promising capabilities upon scaling up parameters. However, serving large language models incurs substantial computation and memory movement costs due to their large scale. Quantization methods have been employed to reduce service costs and latency. Nevertheless, outliers in activations hinder the development of INT4 weight-activation quantization. Existing approaches separate outliers and normal values into two matrices or migrate outliers from activations to weights, suffering from high latency or accuracy degradation. Based on observing activations from large language models, outliers can be classified into channel-wise and spike outliers. In this work, we propose Rotated Runtime Smooth (RRS), a plug-and-play activation smoother for quantization, consisting of Runtime Smooth and the Rotation operation. Runtime Smooth (RS) is introduced to eliminate channel-wise outliers by smoothing activations with channel-wise maximums during runtime. The rotation operation can narrow the gap between spike outliers and normal values, alleviating the effect of victims caused by channel-wise smoothing. The proposed method outperforms the state-of-the-art method in the LLaMA and Qwen families and improves WikiText-2 perplexity from 57.33 to 6.66 for INT4 inference.

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.

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.

Mamba is an efficient sequence model that rivals Transformers and demonstrates significant potential as a foundational architecture for various tasks. Quantization is commonly used in neural networks to reduce model size and computational latency. However, applying quantization to Mamba remains underexplored, and existing quantization methods, which have been effective for CNN and Transformer models, appear inadequate for Mamba models (e.g., Quarot suffers a 21% accuracy drop on Vim-T^dagger even under W8A8). We have pioneered the exploration of this issue and identified several key challenges. First, significant outliers are present in gate projections, output projections, and matrix multiplications. Second, Mamba's unique parallel scan further amplifies these outliers, leading to uneven and heavy-tailed data distributions. Third, even with the application of the Hadamard transform, the variance across channels in weights and activations still remains inconsistent. To these ends, we propose MambaQuant, a post-training quantization (PTQ) framework consisting of: 1) Karhunen-Loeve Transformation (KLT) enhanced rotation, rendering the rotation matrix adaptable to diverse channel distributions. 2) Smooth-Fused rotation, which equalizes channel variances and can merge additional parameters into model weights. Experiments show that MambaQuant can quantize both weights and activations into 8-bit with less than 1% accuracy loss for Mamba-based vision and language tasks. To the best of our knowledge, MambaQuant is the first comprehensive PTQ design for the Mamba family, paving the way for further advancements in its application.

Quantization for deep neural networks (DNNs) is the process of mapping the parameter values of DNNs from original data types to other data types of lower precision to reduce model sizes and make inference faster. Quantization often maps different original values to a single quantized value because the range of the original values is larger than the range of the quantized values. This leads to the degradation of the accuracy of the quantized DNNs. Outliers are a main cause of the degradation of quantization resolution because they enlarge the range of original values. To solve the problem, the percentile method is often used to clip outliers. However, clipping the outliers has another problem of removing the important and strong signals in the DNNs. This paper proposes SplitQuant to keep the outliers and improve the quantization resolution at the same time. SplitQuant narrows down the range of the original values and mitigates the effect of outliers by splitting each quantizable layer into three mathematically equivalent layers and applies different scaling factors. Especially, weights and biases are clustered into lower, middle and upper clusters for optimized split. By preprocessing DNNs with SplitQuant, quantization algorithms can achieve better results. SplitQuant was applied on two BERT-Tiny models and improved the accuracy of INT2 quantization by 3.3%p and 2.1%p, achieving accuracies comparable to those of the original FP32 models.

This paper makes a formal connection between two families of widely used matrix factorization algorithms in numerical linear algebra. One family consists of the Jacobi eigenvalue algorithm and its variants for computing the Hermitian eigendecomposition and singular value decomposition. The other consists of Gaussian elimination and the Gram-Schmidt procedure with various pivoting rules for computing the Cholesky decomposition and QR decomposition respectively. Both families are cast as special cases of a more general class of factorization algorithms. We provide a randomized pivoting rule that applies to this general class (which differs substantially from the usual pivoting rules for Gaussian elimination / Gram-Schmidt) which results in the same linear rate of convergence for each algorithm, irrespective of which factorization it computes. A second important consequence of this randomized pivoting rule is a provable, effective bound on the numerical stability of the Jacobi eigenvalue algorithm, which addresses a longstanding open problem of Demmel and Veseli\'c `92.

The optimization of large language models (LLMs) remains a critical challenge, particularly as model scaling exacerbates sensitivity to algorithmic imprecision and training instability. Recent advances in optimizers have improved convergence efficiency through momentum orthogonalization, but suffer from two key robustness limitations: dimensional fragility in orthogonalization precision and vulnerability to outlier-induced noise. To address these robustness challenges, we introduce ROOT, a Robust Orthogonalized Optimizer that enhances training stability through dual robustness mechanisms. First, we develop a dimension-robust orthogonalization scheme using adaptive Newton iterations with fine-grained coefficients tailored to specific matrix sizes, ensuring consistent precision across diverse architectural configurations. Second, we introduce an optimization-robust framework via proximal optimization that suppresses outlier noise while preserving meaningful gradient directions. Extensive experiments demonstrate that ROOT achieves significantly improved robustness, with faster convergence and superior final performance compared to both Muon and Adam-based optimizers, particularly in noisy and non-convex scenarios. Our work establishes a new paradigm for developing robust and precise optimizers capable of handling the complexities of modern large-scale model training. The code will be available at https://github.com/huawei-noah/noah-research/tree/master/ROOT.

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.

We identify a new phenomenon in neural network optimization which arises from the interaction of depth and a particular heavy-tailed structure in natural data. Our result offers intuitive explanations for several previously reported observations about network training dynamics. In particular, it implies a conceptually new cause for progressive sharpening and the edge of stability; we also highlight connections to other concepts in optimization and generalization including grokking, simplicity bias, and Sharpness-Aware Minimization. Experimentally, we demonstrate the significant influence of paired groups of outliers in the training data with strong opposing signals: consistent, large magnitude features which dominate the network output throughout training and provide gradients which point in opposite directions. Due to these outliers, early optimization enters a narrow valley which carefully balances the opposing groups; subsequent sharpening causes their loss to rise rapidly, oscillating between high on one group and then the other, until the overall loss spikes. We describe how to identify these groups, explore what sets them apart, and carefully study their effect on the network's optimization and behavior. We complement these experiments with a mechanistic explanation on a toy example of opposing signals and a theoretical analysis of a two-layer linear network on a simple model. Our finding enables new qualitative predictions of training behavior which we confirm experimentally. It also provides a new lens through which to study and improve modern training practices for stochastic optimization, which we highlight via a case study of Adam versus SGD.

Graph-level anomaly detection aims to identify anomalous graphs from a collection of graphs in an unsupervised manner. A common assumption of anomaly detection is that a reasonable decision boundary has a hypersphere shape, but may appear some non-conforming phenomena in high dimensions. Towards this end, we firstly propose a novel deep graph-level anomaly detection model, which learns the graph representation with maximum mutual information between substructure and global structure features while exploring a hypersphere anomaly decision boundary. The idea is to ensure the training data distribution consistent with the decision hypersphere via an orthogonal projection layer. Moreover, we further perform the bi-hypersphere compression to emphasize the discrimination of anomalous graphs from normal graphs. Note that our method is not confined to graph data and is applicable to anomaly detection of other data such as images. The numerical and visualization results on benchmark datasets demonstrate the effectiveness and superiority of our methods in comparison to many baselines and state-of-the-arts.

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.

Semidefinite programming is a fundamental problem class in convex optimization, but despite recent advances in solvers, solving large-scale semidefinite programs remains challenging. Generally the matrix functions involved are spectral or unitarily invariant, i.e., they depend only on the eigenvalues or singular values of the matrix. This paper investigates how spectral matrix cones -- cones defined from epigraphs and perspectives of spectral or unitarily invariant functions -- can be used to enhance first-order conic solvers for semidefinite programs. Our main result shows that projecting a matrix can be reduced to projecting its eigenvalues or singular values, which we demonstrate can be done at a negligible cost compared to the eigenvalue or singular value decomposition itself. We have integrated support for spectral matrix cone projections into the Splitting Conic Solver (SCS). Numerical experiments show that SCS with this enhancement can achieve speedups of up to an order of magnitude for solving semidefinite programs arising in experimental design, robust principal component analysis, and graph partitioning.

Generative models based on variational autoencoders are a popular technique for detecting anomalies in images in a semi-supervised context. A common approach employs the anomaly score to detect the presence of anomalies, and it is known to reach high level of accuracy on benchmark datasets. However, since anomaly scores are computed from reconstruction disparities, they often obscure the detection of various spurious features, raising concerns regarding their actual efficacy. This case study explores the robustness of an anomaly detection system based on variational autoencoder generative models through the use of eXplainable AI methods. The goal is to get a different perspective on the real performances of anomaly detectors that use reconstruction differences. In our case study we discovered that, in many cases, samples are detected as anomalous for the wrong or misleading factors.

Out-of-Distribution (OOD) detection, aiming to distinguish outliers from known categories, has gained prominence in practical scenarios. Recently, the advent of vision-language models (VLM) has heightened interest in enhancing OOD detection for VLM through few-shot tuning. However, existing methods mainly focus on optimizing global prompts, ignoring refined utilization of local information with regard to outliers. Motivated by this, we freeze global prompts and introduce Local-Prompt, a novel coarse-to-fine tuning paradigm to emphasize regional enhancement with local prompts. Our method comprises two integral components: global prompt guided negative augmentation and local prompt enhanced regional regularization. The former utilizes frozen, coarse global prompts as guiding cues to incorporate negative augmentation, thereby leveraging local outlier knowledge. The latter employs trainable local prompts and a regional regularization to capture local information effectively, aiding in outlier identification. We also propose regional-related metric to empower the enrichment of OOD detection. Moreover, since our approach explores enhancing local prompts only, it can be seamlessly integrated with trained global prompts during inference to boost the performance. Comprehensive experiments demonstrate the effectiveness and potential of our method. Notably, our method reduces average FPR95 by 5.17% against state-of-the-art method in 4-shot tuning on challenging ImageNet-1k dataset, even outperforming 16-shot results of previous methods. Code is released at https://github.com/AuroraZengfh/Local-Prompt.

Quantizing large language models (LLMs) presents significant challenges, primarily due to outlier activations that compromise the efficiency of low-bit representation. Traditional approaches mainly focus on solving Normal Outliers-activations with consistently high magnitudes across all tokens. However, these techniques falter when dealing with Massive Outliers, which are significantly higher in value and often cause substantial performance losses during low-bit quantization. In this study, we propose DuQuant, an innovative quantization strategy employing rotation and permutation transformations to more effectively eliminate both types of outliers. Initially, DuQuant constructs rotation matrices informed by specific outlier dimensions, redistributing these outliers across adjacent channels within different rotation blocks. Subsequently, a zigzag permutation is applied to ensure a balanced distribution of outliers among blocks, minimizing block-wise variance. An additional rotation further enhances the smoothness of the activation landscape, thereby improving model performance. DuQuant streamlines the quantization process and demonstrates superior outlier management, achieving top-tier results in multiple tasks with various LLM architectures even under 4-bit weight-activation quantization. Our code is available at https://github.com/Hsu1023/DuQuant.

Representations from large language models (LLMs) are known to be dominated by a small subset of dimensions with exceedingly high variance. Previous works have argued that although ablating these outlier dimensions in LLM representations hurts downstream performance, outlier dimensions are detrimental to the representational quality of embeddings. In this study, we investigate how fine-tuning impacts outlier dimensions and show that 1) outlier dimensions that occur in pre-training persist in fine-tuned models and 2) a single outlier dimension can complete downstream tasks with a minimal error rate. Our results suggest that outlier dimensions can encode crucial task-specific knowledge and that the value of a representation in a single outlier dimension drives downstream model decisions.

AI models are increasingly used for data analysis and visualization, yet benchmarks rarely address scatterplot-specific tasks, limiting insight into performance. To address this gap for one of the most common chart types, we introduce a synthetic, annotated dataset of over 18,000 scatterplots from six data generators and 17 chart designs, and a benchmark based on it. We evaluate proprietary models from OpenAI and Google using N-shot prompting on five distinct tasks derived from annotations of cluster bounding boxes, their center coordinates, and outlier coordinates. OpenAI models and Gemini 2.5 Flash, especially when prompted with examples, are viable options for counting clusters and, in Flash's case, outliers (90%+ Accuracy). However, the results for localization-related tasks are unsatisfactory: Precision and Recall are near or below 50%, except for Flash in outlier identification (65.01%). Furthermore, the impact of chart design on performance appears to be a secondary factor, but it is advisable to avoid scatterplots with wide aspect ratios (16:9 and 21:9) or those colored randomly. Supplementary materials are available at https://github.com/feedzai/biy-paper.

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.

We train, for the first time, large language models using FP8 precision on datasets up to 2 trillion tokens -- a 20-fold increase over previous limits. Through these extended training runs, we uncover critical instabilities in FP8 training that were not observable in earlier works with shorter durations. We trace these instabilities to outlier amplification by the SwiGLU activation function. Interestingly, we show, both analytically and empirically, that this amplification happens only over prolonged training periods, and link it to a SwiGLU weight alignment process. To address this newly identified issue, we introduce Smooth-SwiGLU, a novel modification that ensures stable FP8 training without altering function behavior. We also demonstrate, for the first time, FP8 quantization of both Adam optimizer moments. Combining these innovations, we successfully train a 7B parameter model using FP8 precision on 256 Intel Gaudi2 accelerators, achieving on-par results with the BF16 baseline while delivering up to a sim 34 % throughput improvement.

We examine the geometry of neural network training using the Jacobian of trained network parameters with respect to their initial values. Our analysis reveals low-dimensional structure in the training process which is dependent on the input data but largely independent of the labels. We find that the singular value spectrum of the Jacobian matrix consists of three distinctive regions: a "chaotic" region of values orders of magnitude greater than one, a large "bulk" region of values extremely close to one, and a "stable" region of values less than one. Along each bulk direction, the left and right singular vectors are nearly identical, indicating that perturbations to the initialization are carried through training almost unchanged. These perturbations have virtually no effect on the network's output in-distribution, yet do have an effect far out-of-distribution. While the Jacobian applies only locally around a single initialization, we find substantial overlap in bulk subspaces for different random seeds. Our code is available at https://github.com/EleutherAI/training-jacobian

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.

As a flexible passive 3D sensing means, unsupervised learning of depth from monocular videos is becoming an important research topic. It utilizes the photometric errors between the target view and the synthesized views from its adjacent source views as the loss instead of the difference from the ground truth. Occlusion and scene dynamics in real-world scenes still adversely affect the learning, despite significant progress made recently. In this paper, we show that deliberately manipulating photometric errors can efficiently deal with these difficulties better. We first propose an outlier masking technique that considers the occluded or dynamic pixels as statistical outliers in the photometric error map. With the outlier masking, the network learns the depth of objects that move in the opposite direction to the camera more accurately. To the best of our knowledge, such cases have not been seriously considered in the previous works, even though they pose a high risk in applications like autonomous driving. We also propose an efficient weighted multi-scale scheme to reduce the artifacts in the predicted depth maps. Extensive experiments on the KITTI dataset and additional experiments on the Cityscapes dataset have verified the proposed approach's effectiveness on depth or ego-motion estimation. Furthermore, for the first time, we evaluate the predicted depth on the regions of dynamic objects and static background separately for both supervised and unsupervised methods. The evaluation further verifies the effectiveness of our proposed technical approach and provides some interesting observations that might inspire future research in this direction.

We investigate imbalanced regression with tabular data that have an imbalance ratio larger than 1,000 ("highly imbalanced"). Accurately estimating the target values of rare instances is important in applications such as forecasting the intensity of rare harmful Solar Energetic Particle (SEP) events. For regression, the MSE loss does not consider the correlation between predicted and actual values. Typical inverse importance functions allow only convex functions. Uniform sampling might yield mini-batches that do not have rare instances. We propose CISIR that incorporates correlation, Monotonically Decreasing Involution (MDI) importance, and stratified sampling. Based on five datasets, our experimental results indicate that CISIR can achieve lower error and higher correlation than some recent methods. Also, adding our correlation component to other recent methods can improve their performance. Lastly, MDI importance can outperform other importance functions. Our code can be found in https://github.com/Machine-Earning/CISIR.

Anomaly detection (AD) is a machine learning task that identifies anomalies by learning patterns from normal training data. In many real-world scenarios, anomalies vary in severity, from minor anomalies with little risk to severe abnormalities requiring immediate attention. However, existing models primarily operate in a binary setting, and the anomaly scores they produce are usually based on the deviation of data points from normal data, which may not accurately reflect practical severity. In this paper, we address this gap by making three key contributions. First, we propose a novel setting, Multilevel AD (MAD), in which the anomaly score represents the severity of anomalies in real-world applications, and we highlight its diverse applications across various domains. Second, we introduce a novel benchmark, MAD-Bench, that evaluates models not only on their ability to detect anomalies, but also on how effectively their anomaly scores reflect severity. This benchmark incorporates multiple types of baselines and real-world applications involving severity. Finally, we conduct a comprehensive performance analysis on MAD-Bench. We evaluate models on their ability to assign severity-aligned scores, investigate the correspondence between their performance on binary and multilevel detection, and study their robustness. This analysis offers key insights into improving AD models for practical severity alignment. The code framework and datasets used for the benchmark will be made publicly available.

This paper deals with a non-self-adjoint differential operator which is associated with a diffusion process with random jumps from the boundary. Our main result is that the algebraic multiplicity of an eigenvalue is equal to its order as a zero of the characteristic function Delta(lambda) . This can be used to determine the multiplicities of eigenvalues for concrete operators.

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.

Out-of-distribution (OOD) detection is critical to ensure the safe deployment of deep learning models in critical applications. Deep learning models can often misidentify OOD samples as in-distribution (ID) samples. This vulnerability worsens in the presence of spurious correlation in the training set. Likewise, in fine-grained classification settings, detection of fine-grained OOD samples becomes inherently challenging due to their high similarity to ID samples. However, current research on OOD detection has largely ignored these challenging scenarios, focusing instead on relatively easier (conventional) cases. In this work, we present a unified Approach to Spurious, fine-grained, and Conventional OOD Detection (ASCOOD). First, we propose synthesizing virtual outliers from ID data by approximating the destruction of invariant features. To this end, we identify invariant features with the pixel attribution method using the model being learned. This approach eliminates the burden of curating external OOD datasets. Then, we simultaneously incentivize ID classification and predictive uncertainty towards virtual outliers leveraging standardized feature representation. Our approach effectively mitigates the impact of spurious correlations and encourages capturing fine-grained attributes. Extensive experiments across seven datasets demonstrate the merit of ASCOOD in spurious, fine-grained, and conventional settings. The code is available at: https://github.com/sudarshanregmi/ASCOOD/

Prediction models can exhibit sensitivity with respect to training data: small changes in the training data can produce models that assign conflicting predictions to individual data points during test time. In this work, we study this sensitivity in recommender systems, where users' recommendations are drastically altered by minor perturbations in other unrelated users' interactions. We introduce a measure of stability for recommender systems, called Rank List Sensitivity (RLS), which measures how rank lists generated by a given recommender system at test time change as a result of a perturbation in the training data. We develop a method, CASPER, which uses cascading effect to identify the minimal and systematical perturbation to induce higher instability in a recommender system. Experiments on four datasets show that recommender models are overly sensitive to minor perturbations introduced randomly or via CASPER - even perturbing one random interaction of one user drastically changes the recommendation lists of all users. Importantly, with CASPER perturbation, the models generate more unstable recommendations for low-accuracy users (i.e., those who receive low-quality recommendations) than high-accuracy ones.

The increasing complexity of foundational models underscores the necessity for explainability, particularly for fine-tuning, the most widely used training method for adapting models to downstream tasks. Instance attribution, one type of explanation, attributes the model prediction to each training example by an instance score. However, the robustness of instance scores, specifically towards dataset resampling, has been overlooked. To bridge this gap, we propose a notion of robustness on the sign of the instance score. We theoretically and empirically demonstrate that the popular leave-one-out-based methods lack robustness, while the Shapley value behaves significantly better, but at a higher computational cost. Accordingly, we introduce an efficient fine-tuning-free approximation of the Shapley value (FreeShap) for instance attribution based on the neural tangent kernel. We empirically demonstrate that FreeShap outperforms other methods for instance attribution and other data-centric applications such as data removal, data selection, and wrong label detection, and further generalize our scale to large language models (LLMs). Our code is available at https://github.com/JTWang2000/FreeShap.

Generalist Anomaly Detection (GAD) aims to train a unified model on an original domain that can detect anomalies in new target domains. Previous GAD methods primarily use only normal samples as references, overlooking the valuable information contained in anomalous samples that are often available in real-world scenarios. To address this limitation, we propose a more practical approach: normal-abnormal-guided generalist anomaly detection, which leverages both normal and anomalous samples as references to guide anomaly detection across diverse domains. We introduce the Normal-Abnormal Generalist Learning (NAGL) framework, consisting of two key components: Residual Mining (RM) and Anomaly Feature Learning (AFL). RM extracts abnormal patterns from normal-abnormal reference residuals to establish transferable anomaly representations, while AFL adaptively learns anomaly features in query images through residual mapping to identify instance-aware anomalies. Our approach effectively utilizes both normal and anomalous references for more accurate and efficient cross-domain anomaly detection. Extensive experiments across multiple benchmarks demonstrate that our method significantly outperforms existing GAD approaches. This work represents the first to adopt a mixture of normal and abnormal samples as references in generalist anomaly detection. The code and datasets are available at https://github.com/JasonKyng/NAGL.

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.

Emergent properties have been widely adopted as a term to describe behavior not present in smaller models but observed in larger models. Recent work suggests that the trade-off incurred by quantization is also an emergent property, with sharp drops in performance in models over 6B parameters. In this work, we ask "are quantization cliffs in performance solely a factor of scale?" Against a backdrop of increased research focus on why certain emergent properties surface at scale, this work provides a useful counter-example. We posit that it is possible to optimize for a quantization friendly training recipe that suppresses large activation magnitude outliers. Here, we find that outlier dimensions are not an inherent product of scale, but rather sensitive to the optimization conditions present during pre-training. This both opens up directions for more efficient quantization, and poses the question of whether other emergent properties are inherent or can be altered and conditioned by optimization and architecture design choices. We successfully quantize models ranging in size from 410M to 52B with minimal degradation in performance.

This article investigates signal estimation in wireless transmission (i.e., receive beamforming) from the perspective of statistical machine learning, where the transmit signals may be from an integrated sensing and communication system; that is, 1) signals may be not only discrete constellation points but also arbitrary complex values; 2) signals may be spatially correlated. Particular attention is paid to handling various uncertainties such as the uncertainty of the transmit signal covariance, the uncertainty of the channel matrix, the uncertainty of the channel noise covariance, the existence of channel impulse noises, and the limited sample size of pilots. To proceed, a distributionally robust machine learning framework that is insensitive to the above uncertainties is proposed, which reveals that channel estimation is not a necessary operation. For optimal linear estimation, the proposed framework includes several existing beamformers as special cases such as diagonal loading and eigenvalue thresholding. For optimal nonlinear estimation, estimators are limited in reproducing kernel Hilbert spaces and neural network function spaces, and corresponding uncertainty-aware solutions (e.g., kernelized diagonal loading) are derived. In addition, we prove that the ridge and kernel ridge regression methods in machine learning are distributionally robust against diagonal perturbation in feature covariance.

Transformer-based large language models (LLMs) have achieved great success with the growing model size. LLMs' size grows by 240times every two years, which outpaces the hardware progress and makes model inference increasingly costly. Model quantization is a promising approach to mitigate the widening gap between LLM size and hardware capacity. However, the existence of outliers, values with significant magnitudes, in LLMs makes existing quantization methods less effective. Prior outlier-aware quantization schemes adopt sparsity encoding techniques to separate outliers from normal values where the process requires global coordination (e.g., a global sparsity coordination list). This incurs complex encoding/decoding hardware logics and an extra orchestration controller for the computation between outlier and normal values. As such, it is not hardware-efficient and hence only achieves sub-optimal quantization benefits. We propose OliVe, an algorithm/architecture co-designed solution that adopts an outlier-victim pair (OVP) quantization and handles outlier values locally with low hardware overheads and high performance gains. The key insight of OliVe is that outliers are important while the normal values next to them are not. Thus those normal values (called victims) can be sacrificed to accommodate outliers. This enables a memory-aligned OVP encoding scheme, which can be efficiently integrated to the existing hardware accelerators like systolic array and tensor core. As a result, OliVe-based accelerator surpasses the existing outlier-aware accelerator, GOBO, by 4.5times speedup and 4.0times energy reduction, respectively, with a superior model accuracy.

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.

The recent surge in contrast-based graph self-supervised learning has prominently featured an intensified exploration of spectral cues. Spectral augmentation, which involves modifying a graph's spectral properties such as eigenvalues or eigenvectors, is widely believed to enhance model performance. However, an intriguing paradox emerges, as methods grounded in seemingly conflicting assumptions regarding the spectral domain demonstrate notable enhancements in learning performance. Through extensive empirical studies, we find that simple edge perturbations - random edge dropping for node-level and random edge adding for graph-level self-supervised learning - consistently yield comparable or superior performance while being significantly more computationally efficient. This suggests that the computational overhead of sophisticated spectral augmentations may not justify their practical benefits. Our theoretical analysis of the InfoNCE loss bounds for shallow GNNs further supports this observation. The proposed insights represent a significant leap forward in the field, potentially refining the understanding and implementation of graph self-supervised learning.

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.

Robust pedestrian trajectory forecasting is crucial to developing safe autonomous vehicles. Although previous works have studied adversarial robustness in the context of trajectory forecasting, some significant issues remain unaddressed. In this work, we try to tackle these crucial problems. Firstly, the previous definitions of robustness in trajectory prediction are ambiguous. We thus provide formal definitions for two kinds of robustness, namely label robustness and pure robustness. Secondly, as previous works fail to consider robustness about all points in a disturbance interval, we utilise a probably approximately correct (PAC) framework for robustness verification. Additionally, this framework can not only identify potential counterexamples, but also provides interpretable analyses of the original methods. Our approach is applied using a prototype tool named TrajPAC. With TrajPAC, we evaluate the robustness of four state-of-the-art trajectory prediction models -- Trajectron++, MemoNet, AgentFormer, and MID -- on trajectories from five scenes of the ETH/UCY dataset and scenes of the Stanford Drone Dataset. Using our framework, we also experimentally study various factors that could influence robustness performance.

This paper studies the role of over-parametrization in solving non-convex optimization problems. The focus is on the important class of low-rank matrix sensing, where we propose an infinite hierarchy of non-convex problems via the lifting technique and the Burer-Monteiro factorization. This contrasts with the existing over-parametrization technique where the search rank is limited by the dimension of the matrix and it does not allow a rich over-parametrization of an arbitrary degree. We show that although the spurious solutions of the problem remain stationary points through the hierarchy, they will be transformed into strict saddle points (under some technical conditions) and can be escaped via local search methods. This is the first result in the literature showing that over-parametrization creates a negative curvature for escaping spurious solutions. We also derive a bound on how much over-parametrization is requited to enable the elimination of spurious solutions.

Diffusion models have been proven highly effective at generating high-quality images. However, as these models grow larger, they require significantly more memory and suffer from higher latency, posing substantial challenges for deployment. In this work, we aim to accelerate diffusion models by quantizing their weights and activations to 4 bits. At such an aggressive level, both weights and activations are highly sensitive, where conventional post-training quantization methods for large language models like smoothing become insufficient. To overcome this limitation, we propose SVDQuant, a new 4-bit quantization paradigm. Different from smoothing which redistributes outliers between weights and activations, our approach absorbs these outliers using a low-rank branch. We first consolidate the outliers by shifting them from activations to weights, then employ a high-precision low-rank branch to take in the weight outliers with Singular Value Decomposition (SVD). This process eases the quantization on both sides. However, na\"{\i}vely running the low-rank branch independently incurs significant overhead due to extra data movement of activations, negating the quantization speedup. To address this, we co-design an inference engine Nunchaku that fuses the kernels of the low-rank branch into those of the low-bit branch to cut off redundant memory access. It can also seamlessly support off-the-shelf low-rank adapters (LoRAs) without the need for re-quantization. Extensive experiments on SDXL, PixArt-Sigma, and FLUX.1 validate the effectiveness of SVDQuant in preserving image quality. We reduce the memory usage for the 12B FLUX.1 models by 3.5times, achieving 3.0times speedup over the 4-bit weight-only quantized baseline on the 16GB laptop 4090 GPU, paving the way for more interactive applications on PCs. Our quantization library and inference engine are open-sourced.

In this article, we develop an asymptotic method for constructing confidence regions for the set of all linear subspaces arising from PCA, from which we derive hypothesis tests on this set. Our method is based on the geometry of Riemannian manifolds with which some sets of linear subspaces are endowed.

Vibration-based condition monitoring systems are receiving increasing attention due to their ability to accurately identify different conditions by capturing dynamic features over a broad frequency range. However, there is little research on clustering approaches in vibration data and the resulting solutions are often optimized for a single data set. In this work, we present an extensive comparison of the clustering algorithms K-means clustering, OPTICS, and Gaussian mixture model clustering (GMM) applied to statistical features extracted from the time and frequency domains of vibration data sets. Furthermore, we investigate the influence of feature combinations, feature selection using principal component analysis (PCA), and the specified number of clusters on the performance of the clustering algorithms. We conducted this comparison in terms of a grid search using three different benchmark data sets. Our work showed that averaging (Mean, Median) and variance-based features (Standard Deviation, Interquartile Range) performed significantly better than shape-based features (Skewness, Kurtosis). In addition, K-means outperformed GMM slightly for these data sets, whereas OPTICS performed significantly worse. We were also able to show that feature combinations as well as PCA feature selection did not result in any significant performance improvements. With an increase in the specified number of clusters, clustering algorithms performed better, although there were some specific algorithmic restrictions.

Detecting out-of-distribution inputs for visual recognition models has become critical in safe deep learning. This paper proposes a novel hierarchical visual category modeling scheme to separate out-of-distribution data from in-distribution data through joint representation learning and statistical modeling. We learn a mixture of Gaussian models for each in-distribution category. There are many Gaussian mixture models to model different visual categories. With these Gaussian models, we design an in-distribution score function by aggregating multiple Mahalanobis-based metrics. We don't use any auxiliary outlier data as training samples, which may hurt the generalization ability of out-of-distribution detection algorithms. We split the ImageNet-1k dataset into ten folds randomly. We use one fold as the in-distribution dataset and the others as out-of-distribution datasets to evaluate the proposed method. We also conduct experiments on seven popular benchmarks, including CIFAR, iNaturalist, SUN, Places, Textures, ImageNet-O, and OpenImage-O. Extensive experiments indicate that the proposed method outperforms state-of-the-art algorithms clearly. Meanwhile, we find that our visual representation has a competitive performance when compared with features learned by classical methods. These results demonstrate that the proposed method hasn't weakened the discriminative ability of visual recognition models and keeps high efficiency in detecting out-of-distribution samples.

We present a comprehensive treatment of relative oscillation theory for finite Jacobi matrices. We show that the difference of the number of eigenvalues of two Jacobi matrices in an interval equals the number of weighted sign-changes of the Wronskian of suitable solutions of the two underlying difference equations. Until now only the case of perturbations of the main diagonal was known. We extend the known results to arbitrary perturbations, allow any (half-)open and closed spectral intervals, simplify the proof, and establish the comparison theorem.

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.

Autoencoders have been proposed as a powerful tool for model-independent anomaly detection in high-energy physics. The operating principle is that events which do not belong to the space of training data will be reconstructed poorly, thus flagging them as anomalies. We point out that in a variety of examples of interest, the connection between large reconstruction error and anomalies is not so clear. In particular, for data sets with nontrivial topology, there will always be points that erroneously seem anomalous due to global issues. Conversely, neural networks typically have an inductive bias or prior to locally interpolate such that undersampled or rare events may be reconstructed with small error, despite actually being the desired anomalies. Taken together, these facts are in tension with the simple picture of the autoencoder as an anomaly detector. Using a series of illustrative low-dimensional examples, we show explicitly how the intrinsic and extrinsic topology of the dataset affects the behavior of an autoencoder and how this topology is manifested in the latent space representation during training. We ground this analysis in the discussion of a mock "bump hunt" in which the autoencoder fails to identify an anomalous "signal" for reasons tied to the intrinsic topology of n-particle phase space.

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.

In this work, we aim to enhance model-based face reconstruction by avoiding fitting the model to outliers, i.e. regions that cannot be well-expressed by the model such as occluders or make-up. The core challenge for localizing outliers is that they are highly variable and difficult to annotate. To overcome this challenging problem, we introduce a joint Face-autoencoder and outlier segmentation approach (FOCUS).In particular, we exploit the fact that the outliers cannot be fitted well by the face model and hence can be localized well given a high-quality model fitting. The main challenge is that the model fitting and the outlier segmentation are mutually dependent on each other, and need to be inferred jointly. We resolve this chicken-and-egg problem with an EM-type training strategy, where a face autoencoder is trained jointly with an outlier segmentation network. This leads to a synergistic effect, in which the segmentation network prevents the face encoder from fitting to the outliers, enhancing the reconstruction quality. The improved 3D face reconstruction, in turn, enables the segmentation network to better predict the outliers. To resolve the ambiguity between outliers and regions that are difficult to fit, such as eyebrows, we build a statistical prior from synthetic data that measures the systematic bias in model fitting. Experiments on the NoW testset demonstrate that FOCUS achieves SOTA 3D face reconstruction performance among all baselines that are trained without 3D annotation. Moreover, our results on CelebA-HQ and the AR database show that the segmentation network can localize occluders accurately despite being trained without any segmentation annotation.

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

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

As new optimizers gain traction and model quantization becomes standard for efficient deployment, a key question arises: how does the choice of optimizer affect model performance in the presence of quantization? Despite progress in both areas, systematic evidence on optimizer-quantization interactions remains limited. To fill this gap, we study the impact of optimizer choice on model robustness under quantization, considering both post-training quantization (PTQ), and quantization-aware training (QAT). We first train full-precision models, ranging from 50M to 1.5B parameters, with six optimizers, to explore the hyperparameter landscape, and establish well-tuned baselines. We then apply PTQ to evaluate how model performance degrades when trained with different optimizers. We find that outlier-related metrics, such as the max-to-mean ratio (MMR) and Kurtosis, fail to predict the PTQ performance across different optimizers. We show analytically that this is due to the MMR capturing only isolated layer errors, while ignoring how quantization errors accumulate and propagate through the network. To study the QAT degradation, we train quantized models from scratch and compare them to our original-precision baselines. We find that optimizers performing well in the original pretraining setup may not remain optimal under QAT, and that models trained with Shampoo show the lowest accuracy degradation. Finally, we derive scaling laws for quantization-aware training under different optimizers, showing that Shampoo achieves the highest parameter efficiency of all tested optimizers.

Large language models have been widely adopted but require significant GPU memory for inference. We develop a procedure for Int8 matrix multiplication for feed-forward and attention projection layers in transformers, which cut the memory needed for inference by half while retaining full precision performance. With our method, a 175B parameter 16/32-bit checkpoint can be loaded, converted to Int8, and used immediately without performance degradation. This is made possible by understanding and working around properties of highly systematic emergent features in transformer language models that dominate attention and transformer predictive performance. To cope with these features, we develop a two-part quantization procedure, LLM.int8(). We first use vector-wise quantization with separate normalization constants for each inner product in the matrix multiplication, to quantize most of the features. However, for the emergent outliers, we also include a new mixed-precision decomposition scheme, which isolates the outlier feature dimensions into a 16-bit matrix multiplication while still more than 99.9% of values are multiplied in 8-bit. Using LLM.int8(), we show empirically it is possible to perform inference in LLMs with up to 175B parameters without any performance degradation. This result makes such models much more accessible, for example making it possible to use OPT-175B/BLOOM on a single server with consumer GPUs. We open-source our software.