Daily Papers

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

Feature selection is playing an increasingly significant role with respect to many computer vision applications spanning from object recognition to visual object tracking. However, most of the recent solutions in feature selection are not robust across different and heterogeneous set of data. In this paper, we address this issue proposing a robust probabilistic latent graph-based feature selection algorithm that performs the ranking step while considering all the possible subsets of features, as paths on a graph, bypassing the combinatorial problem analytically. An appealing characteristic of the approach is that it aims to discover an abstraction behind low-level sensory data, that is, relevancy. Relevancy is modelled as a latent variable in a PLSA-inspired generative process that allows the investigation of the importance of a feature when injected into an arbitrary set of cues. The proposed method has been tested on ten diverse benchmarks, and compared against eleven state of the art feature selection methods. Results show that the proposed approach attains the highest performance levels across many different scenarios and difficulties, thereby confirming its strong robustness while setting a new state of the art in feature selection domain.

Feature selection is the problem of selecting a subset of features for a machine learning model that maximizes model quality subject to a budget constraint. For neural networks, prior methods, including those based on ell_1 regularization, attention, and other techniques, typically select the entire feature subset in one evaluation round, ignoring the residual value of features during selection, i.e., the marginal contribution of a feature given that other features have already been selected. We propose a feature selection algorithm called Sequential Attention that achieves state-of-the-art empirical results for neural networks. This algorithm is based on an efficient one-pass implementation of greedy forward selection and uses attention weights at each step as a proxy for feature importance. We give theoretical insights into our algorithm for linear regression by showing that an adaptation to this setting is equivalent to the classical Orthogonal Matching Pursuit (OMP) algorithm, and thus inherits all of its provable guarantees. Our theoretical and empirical analyses offer new explanations towards the effectiveness of attention and its connections to overparameterization, which may be of independent interest.

Major complications arise from the recent increase in the amount of high-dimensional data, including high computational costs and memory requirements. Feature selection, which identifies the most relevant and informative attributes of a dataset, has been introduced as a solution to this problem. Most of the existing feature selection methods are computationally inefficient; inefficient algorithms lead to high energy consumption, which is not desirable for devices with limited computational and energy resources. In this paper, a novel and flexible method for unsupervised feature selection is proposed. This method, named QuickSelection, introduces the strength of the neuron in sparse neural networks as a criterion to measure the feature importance. This criterion, blended with sparsely connected denoising autoencoders trained with the sparse evolutionary training procedure, derives the importance of all input features simultaneously. We implement QuickSelection in a purely sparse manner as opposed to the typical approach of using a binary mask over connections to simulate sparsity. It results in a considerable speed increase and memory reduction. When tested on several benchmark datasets, including five low-dimensional and three high-dimensional datasets, the proposed method is able to achieve the best trade-off of classification and clustering accuracy, running time, and maximum memory usage, among widely used approaches for feature selection. Besides, our proposed method requires the least amount of energy among the state-of-the-art autoencoder-based feature selection methods.

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.

Feature Selection (FS) under domain adaptation (DA) is a critical task in machine learning, especially when dealing with limited target data. However, existing methods lack the capability to guarantee the reliability of FS under DA. In this paper, we introduce a novel statistical method to statistically test FS reliability under DA, named SFS-DA (statistical FS-DA). The key strength of SFS-DA lies in its ability to control the false positive rate (FPR) below a pre-specified level alpha (e.g., 0.05) while maximizing the true positive rate. Compared to the literature on statistical FS, SFS-DA presents a unique challenge in addressing the effect of DA to ensure the validity of the inference on FS results. We overcome this challenge by leveraging the Selective Inference (SI) framework. Specifically, by carefully examining the FS process under DA whose operations can be characterized by linear and quadratic inequalities, we prove that achieving FPR control in SFS-DA is indeed possible. Furthermore, we enhance the true detection rate by introducing a more strategic approach. Experiments conducted on both synthetic and real-world datasets robustly support our theoretical results, showcasing the superior performance of the proposed SFS-DA method.

Dynamic feature selection, where we sequentially query features to make accurate predictions with a minimal budget, is a promising paradigm to reduce feature acquisition costs and provide transparency into a model's predictions. The problem is challenging, however, as it requires both predicting with arbitrary feature sets and learning a policy to identify valuable selections. Here, we take an information-theoretic perspective and prioritize features based on their mutual information with the response variable. The main challenge is implementing this policy, and we design a new approach that estimates the mutual information in a discriminative rather than generative fashion. Building on our approach, we then introduce several further improvements: allowing variable feature budgets across samples, enabling non-uniform feature costs, incorporating prior information, and exploring modern architectures to handle partial inputs. Our experiments show that our method provides consistent gains over recent methods across a variety of datasets.

Feature selection helps reduce data acquisition costs in ML, but the standard approach is to train models with static feature subsets. Here, we consider the dynamic feature selection (DFS) problem where a model sequentially queries features based on the presently available information. DFS is often addressed with reinforcement learning, but we explore a simpler approach of greedily selecting features based on their conditional mutual information. This method is theoretically appealing but requires oracle access to the data distribution, so we develop a learning approach based on amortized optimization. The proposed method is shown to recover the greedy policy when trained to optimality, and it outperforms numerous existing feature selection methods in our experiments, thus validating it as a simple but powerful approach for this problem.

Choosing which properties of the data to use as input to multivariate decision algorithms -- a.k.a. feature selection -- is an important step in solving any problem with machine learning. While there is a clear trend towards training sophisticated deep networks on large numbers of relatively unprocessed inputs (so-called automated feature engineering), for many tasks in physics, sets of theoretically well-motivated and well-understood features already exist. Working with such features can bring many benefits, including greater interpretability, reduced training and run time, and enhanced stability and robustness. We develop a new feature selection method based on Distance Correlation (DisCo), and demonstrate its effectiveness on the tasks of boosted top- and W-tagging. Using our method to select features from a set of over 7,000 energy flow polynomials, we show that we can match the performance of much deeper architectures, by using only ten features and two orders-of-magnitude fewer model parameters.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

Self-training is an important technique for solving semi-supervised learning problems. It leverages unlabeled data by generating pseudo-labels and combining them with a limited labeled dataset for training. The effectiveness of self-training heavily relies on the accuracy of these pseudo-labels. In this paper, we introduce doubly robust self-training, a novel semi-supervised algorithm that provably balances between two extremes. When the pseudo-labels are entirely incorrect, our method reduces to a training process solely using labeled data. Conversely, when the pseudo-labels are completely accurate, our method transforms into a training process utilizing all pseudo-labeled data and labeled data, thus increasing the effective sample size. Through empirical evaluations on both the ImageNet dataset for image classification and the nuScenes autonomous driving dataset for 3D object detection, we demonstrate the superiority of the doubly robust loss over the standard self-training baseline.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

This paper presents a Bayesian nonparametric latent feature model specially suitable for exploratory analysis of high-dimensional count data. We perform a non-negative doubly sparse matrix factorization that has two main advantages: not only we are able to better approximate the row input distributions, but the inferred topics are also easier to interpret. By combining the three-parameter and restricted Indian buffet processes into a single prior, we increase the model flexibility, allowing for a full spectrum of sparse solutions in the latent space. We demonstrate the usefulness of our approach in the analysis of countries' economic structure. Compared to other approaches, empirical results show our model's ability to give easy-to-interpret information and better capture the underlying sparsity structure of data.

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

Modern image retrieval methods typically rely on fine-tuning pre-trained encoders to extract image-level descriptors. However, the most widely used models are pre-trained on ImageNet-1K with limited classes. The pre-trained feature representation is therefore not universal enough to generalize well to the diverse open-world classes. In this paper, we first cluster the large-scale LAION400M into one million pseudo classes based on the joint textual and visual features extracted by the CLIP model. Due to the confusion of label granularity, the automatically clustered dataset inevitably contains heavy inter-class conflict. To alleviate such conflict, we randomly select partial inter-class prototypes to construct the margin-based softmax loss. To further enhance the low-dimensional feature representation, we randomly select partial feature dimensions when calculating the similarities between embeddings and class-wise prototypes. The dual random partial selections are with respect to the class dimension and the feature dimension of the prototype matrix, making the classification conflict-robust and the feature embedding compact. Our method significantly outperforms state-of-the-art unsupervised and supervised image retrieval approaches on multiple benchmarks. The code and pre-trained models are released to facilitate future research https://github.com/deepglint/unicom.

Fine-tuning foundation models often compromises their robustness to distribution shifts. To remedy this, most robust fine-tuning methods aim to preserve the pre-trained features. However, not all pre-trained features are robust and those methods are largely indifferent to which ones to preserve. We propose dual risk minimization (DRM), which combines empirical risk minimization with worst-case risk minimization, to better preserve the core features of downstream tasks. In particular, we utilize core-feature descriptions generated by LLMs to induce core-based zero-shot predictions which then serve as proxies to estimate the worst-case risk. DRM balances two crucial aspects of model robustness: expected performance and worst-case performance, establishing a new state of the art on various real-world benchmarks. DRM significantly improves the out-of-distribution performance of CLIP ViT-L/14@336 on ImageNet (75.9 to 77.1), WILDS-iWildCam (47.1 to 51.8), and WILDS-FMoW (50.7 to 53.1); opening up new avenues for robust fine-tuning. Our code is available at https://github.com/vaynexie/DRM .

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.

Proximal causal learning is a promising framework for identifying the causal effect under the existence of unmeasured confounders. Within this framework, the doubly robust (DR) estimator was derived and has shown its effectiveness in estimation, especially when the model assumption is violated. However, the current form of the DR estimator is restricted to binary treatments, while the treatment can be continuous in many real-world applications. The primary obstacle to continuous treatments resides in the delta function present in the original DR estimator, making it infeasible in causal effect estimation and introducing a heavy computational burden in nuisance function estimation. To address these challenges, we propose a kernel-based DR estimator that can well handle continuous treatments. Equipped with its smoothness, we show that its oracle form is a consistent approximation of the influence function. Further, we propose a new approach to efficiently solve the nuisance functions. We then provide a comprehensive convergence analysis in terms of the mean square error. We demonstrate the utility of our estimator on synthetic datasets and real-world applications.

Survey data can contain a high number of features while having a comparatively low quantity of examples. Machine learning models that attempt to predict outcomes from survey data under these conditions can overfit and result in poor generalizability. One remedy to this issue is feature selection, which attempts to select an optimal subset of features to learn upon. A relatively unexplored source of information in the feature selection process is the usage of textual names of features, which may be semantically indicative of which features are relevant to a target outcome. The relationships between feature names and target names can be evaluated using language models (LMs) to produce semantic textual similarity (STS) scores, which can then be used to select features. We examine the performance using STS to select features directly and in the minimal-redundancy-maximal-relevance (mRMR) algorithm. The performance of STS as a feature selection metric is evaluated against preliminary survey data collected as a part of a clinical study on persistent post-surgical pain (PPSP). The results suggest that features selected with STS can result in higher performance models compared to traditional feature selection algorithms.

High-dimensional datasets require effective feature selection to improve predictive performance, interpretability, and robustness. We propose and evaluate feature selection methods for tabular datasets based on Kolmogorov-Arnold networks (KANs), which parameterize feature transformations through splines, enabling direct access to interpretable importance measures. We introduce four KAN-based selectors (KAN-L1, KAN-L2, KAN-SI, KAN-KO) and compare them against classical baselines (LASSO, Random Forest, Mutual Information, SVM-RFE) across multiple classification and regression tabular dataset benchmarks. Average (over three retention levels: 20\%, 40\%, and 60\%) F1 scores and R^2 score results reveal that KAN-based selectors, particularly KAN-L2, KAN-L1, KAN-SI, and KAN-KO, are competitive with and sometimes superior to classical baselines in structured and synthetic datasets. However, KAN-L1 is often too aggressive in regression, removing useful features, while KAN-L2 underperforms in classification, where simple coefficient shrinkage misses complex feature interactions. KAN-L2 and KAN-SI provide robust performance on noisy regression datasets and heterogeneous datasets, aligning closely with ensemble predictors. In classification tasks, KAN selectors such as KAN-L1, KAN-KO, and KAN-SI sometimes surpass the other selectors by eliminating redundancy, particularly in high-dimensional multi-class data. Overall, our findings demonstrate that KAN-based feature selection provides a powerful and interpretable alternative to traditional methods, capable of uncovering nonlinear and multivariate feature relevance beyond sparsity or impurity-based measures.

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

Selecting a suitable training dataset is crucial for both general-domain (e.g., GPT-3) and domain-specific (e.g., Codex) language models (LMs). We formalize this data selection problem as selecting a subset of a large raw unlabeled dataset to match a desired target distribution, given some unlabeled target samples. Due to the large scale and dimensionality of the raw text data, existing methods use simple heuristics to select data that are similar to a high-quality reference corpus (e.g., Wikipedia), or leverage experts to manually curate data. Instead, we extend the classic importance resampling approach used in low-dimensions for LM data selection. Crucially, we work in a reduced feature space to make importance weight estimation tractable over the space of text. To determine an appropriate feature space, we first show that KL reduction, a data metric that measures the proximity between selected data and the target in a feature space, has high correlation with average accuracy on 8 downstream tasks (r=0.89) when computed with simple n-gram features. From this observation, we present Data Selection with Importance Resampling (DSIR), an efficient and scalable algorithm that estimates importance weights in a reduced feature space (e.g., n-gram features in our instantiation) and selects data with importance resampling according to these weights. When training general-domain models (target is Wikipedia + books), DSIR improves over random selection and heuristic filtering baselines by 2--2.5% on the GLUE benchmark. When performing continued pretraining towards a specific domain, DSIR performs comparably to expert curated data across 8 target distributions.

Existing feature filters rely on statistical pair-wise dependence metrics to model feature-target relationships, but this approach may fail when the target depends on higher-order feature interactions rather than individual contributions. We introduce Mutual Information Neural Estimation Regularized Vetting Algorithm (MINERVA), a novel approach to supervised feature selection based on neural estimation of mutual information between features and targets. We paramaterize the approximation of mutual information with neural networks and perform feature selection using a carefully designed loss function augmented with sparsity-inducing regularizers. Our method is implemented in a two-stage process to decouple representation learning from feature selection, ensuring better generalization and a more accurate expression of feature importance. We present examples of ubiquitous dependency structures that are rarely captured in literature and show that our proposed method effectively captures these complex feature-target relationships by evaluating feature subsets as an ensemble. Experimental results on synthetic and real-life fraud datasets demonstrate the efficacy of our method and its ability to perform exact solutions.

We propose a filtering feature selection framework that considers subsets of features as paths in a graph, where a node is a feature and an edge indicates pairwise (customizable) relations among features, dealing with relevance and redundancy principles. By two different interpretations (exploiting properties of power series of matrices and relying on Markov chains fundamentals) we can evaluate the values of paths (i.e., feature subsets) of arbitrary lengths, eventually go to infinite, from which we dub our framework Infinite Feature Selection (Inf-FS). Going to infinite allows to constrain the computational complexity of the selection process, and to rank the features in an elegant way, that is, considering the value of any path (subset) containing a particular feature. We also propose a simple unsupervised strategy to cut the ranking, so providing the subset of features to keep. In the experiments, we analyze diverse settings with heterogeneous features, for a total of 11 benchmarks, comparing against 18 widely-known comparative approaches. The results show that Inf-FS behaves better in almost any situation, that is, when the number of features to keep are fixed a priori, or when the decision of the subset cardinality is part of the process.

This study addresses the challenge of noise in training datasets for Direct Preference Optimization (DPO), a method for aligning Large Language Models (LLMs) with human preferences. We categorize noise into pointwise noise, which includes low-quality data points, and pairwise noise, which encompasses erroneous data pair associations that affect preference rankings. Utilizing Distributionally Robust Optimization (DRO), we enhance DPO's resilience to these types of noise. Our theoretical insights reveal that DPO inherently embeds DRO principles, conferring robustness to pointwise noise, with the regularization coefficient beta playing a critical role in its noise resistance. Extending this framework, we introduce Distributionally Robustifying DPO (Dr. DPO), which integrates pairwise robustness by optimizing against worst-case pairwise scenarios. The novel hyperparameter beta' in Dr. DPO allows for fine-tuned control over data pair reliability, providing a strategic balance between exploration and exploitation in noisy training environments. Empirical evaluations demonstrate that Dr. DPO substantially improves the quality of generated text and response accuracy in preference datasets, showcasing enhanced performance in both noisy and noise-free settings. The code is available at https://github.com/junkangwu/Dr_DPO.

Randomized Smoothing (RS) has been proven a promising method for endowing an arbitrary image classifier with certified robustness. However, the substantial uncertainty inherent in the high-dimensional isotropic Gaussian noise imposes the curse of dimensionality on RS. Specifically, the upper bound of {ell_2} certified robustness radius provided by RS exhibits a diminishing trend with the expansion of the input dimension d, proportionally decreasing at a rate of 1/d. This paper explores the feasibility of providing {ell_2} certified robustness for high-dimensional input through the utilization of dual smoothing in the lower-dimensional space. The proposed Dual Randomized Smoothing (DRS) down-samples the input image into two sub-images and smooths the two sub-images in lower dimensions. Theoretically, we prove that DRS guarantees a tight {ell_2} certified robustness radius for the original input and reveal that DRS attains a superior upper bound on the {ell_2} robustness radius, which decreases proportionally at a rate of (1/sqrt m + 1/sqrt n ) with m+n=d. Extensive experiments demonstrate the generalizability and effectiveness of DRS, which exhibits a notable capability to integrate with established methodologies, yielding substantial improvements in both accuracy and {ell_2} certified robustness baselines of RS on the CIFAR-10 and ImageNet datasets. Code is available at https://github.com/xiasong0501/DRS.

Machine learning systems often experience a distribution shift between training and testing. In this paper, we introduce a simple variational objective whose optima are exactly the set of all representations on which risk minimizers are guaranteed to be robust to any distribution shift that preserves the Bayes predictor, e.g., covariate shifts. Our objective has two components. First, a representation must remain discriminative for the task, i.e., some predictor must be able to simultaneously minimize the source and target risk. Second, the representation's marginal support needs to be the same across source and target. We make this practical by designing self-supervised objectives that only use unlabelled data and augmentations to train robust representations. Our objectives give insights into the robustness of CLIP, and further improve CLIP's representations to achieve SOTA results on DomainBed.

Adversarial examples, generated by carefully crafted perturbation, have attracted considerable attention in research fields. Recent works have argued that the existence of the robust and non-robust features is a primary cause of the adversarial examples, and investigated their internal interactions in the feature space. In this paper, we propose a way of explicitly distilling feature representation into the robust and non-robust features, using Information Bottleneck. Specifically, we inject noise variation to each feature unit and evaluate the information flow in the feature representation to dichotomize feature units either robust or non-robust, based on the noise variation magnitude. Through comprehensive experiments, we demonstrate that the distilled features are highly correlated with adversarial prediction, and they have human-perceptible semantic information by themselves. Furthermore, we present an attack mechanism intensifying the gradient of non-robust features that is directly related to the model prediction, and validate its effectiveness of breaking model robustness.

We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of these kernels among the class of weight-independent geometrically-coupled positive random feature (PRF) mechanisms, substantially outperforming the previously most accurate Orthogonal Random Features at no observable extra cost. We present a more computationally expensive SimRFs+ variant, which we prove is asymptotically optimal in the broader family of weight-dependent geometrical coupling schemes (which permit correlations between random vector directions and norms). In extensive empirical studies, we show consistent gains provided by SimRFs in settings including pointwise kernel estimation, nonparametric classification and scalable Transformers.

Assigning importance weights to adversarial data has achieved great success in training adversarially robust networks under limited model capacity. However, existing instance-reweighted adversarial training (AT) methods heavily depend on heuristics and/or geometric interpretations to determine those importance weights, making these algorithms lack rigorous theoretical justification/guarantee. Moreover, recent research has shown that adversarial training suffers from a severe non-uniform robust performance across the training distribution, e.g., data points belonging to some classes can be much more vulnerable to adversarial attacks than others. To address both issues, in this paper, we propose a novel doubly-robust instance reweighted AT framework, which allows to obtain the importance weights via exploring distributionally robust optimization (DRO) techniques, and at the same time boosts the robustness on the most vulnerable examples. In particular, our importance weights are obtained by optimizing the KL-divergence regularized loss function, which allows us to devise new algorithms with a theoretical convergence guarantee. Experiments on standard classification datasets demonstrate that our proposed approach outperforms related state-of-the-art baseline methods in terms of average robust performance, and at the same time improves the robustness against attacks on the weakest data points. Codes will be available soon.

Deep Recommender Systems (DRS) are increasingly dependent on a large number of feature fields for more precise recommendations. Effective feature selection methods are consequently becoming critical for further enhancing the accuracy and optimizing storage efficiencies to align with the deployment demands. This research area, particularly in the context of DRS, is nascent and faces three core challenges. Firstly, variant experimental setups across research papers often yield unfair comparisons, obscuring practical insights. Secondly, the existing literature's lack of detailed analysis on selection attributes, based on large-scale datasets and a thorough comparison among selection techniques and DRS backbones, restricts the generalizability of findings and impedes deployment on DRS. Lastly, research often focuses on comparing the peak performance achievable by feature selection methods, an approach that is typically computationally infeasible for identifying the optimal hyperparameters and overlooks evaluating the robustness and stability of these methods. To bridge these gaps, this paper presents ERASE, a comprehensive bEnchmaRk for feAture SElection for DRS. ERASE comprises a thorough evaluation of eleven feature selection methods, covering both traditional and deep learning approaches, across four public datasets, private industrial datasets, and a real-world commercial platform, achieving significant enhancement. Our code is available online for ease of reproduction.

Deep sparse networks are widely investigated as a neural network architecture for prediction tasks with high-dimensional sparse features, with which feature interaction selection is a critical component. While previous methods primarily focus on how to search feature interaction in a coarse-grained space, less attention has been given to a finer granularity. In this work, we introduce a hybrid-grained feature interaction selection approach that targets both feature field and feature value for deep sparse networks. To explore such expansive space, we propose a decomposed space which is calculated on the fly. We then develop a selection algorithm called OptFeature, which efficiently selects the feature interaction from both the feature field and the feature value simultaneously. Results from experiments on three large real-world benchmark datasets demonstrate that OptFeature performs well in terms of accuracy and efficiency. Additional studies support the feasibility of our method.

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.

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

Minimizing the difference of two submodular (DS) functions is a problem that naturally occurs in various machine learning problems. Although it is well known that a DS problem can be equivalently formulated as the minimization of the difference of two convex (DC) functions, existing algorithms do not fully exploit this connection. A classical algorithm for DC problems is called the DC algorithm (DCA). We introduce variants of DCA and its complete form (CDCA) that we apply to the DC program corresponding to DS minimization. We extend existing convergence properties of DCA, and connect them to convergence properties on the DS problem. Our results on DCA match the theoretical guarantees satisfied by existing DS algorithms, while providing a more complete characterization of convergence properties. In the case of CDCA, we obtain a stronger local minimality guarantee. Our numerical results show that our proposed algorithms outperform existing baselines on two applications: speech corpus selection and feature selection.

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

Deep subspace clustering (DSC) algorithms face several challenges that hinder their widespread adoption across variois application domains. First, clustering quality is typically assessed using only the encoder's output layer, disregarding valuable information present in the intermediate layers. Second, most DSC approaches treat representation learning and subspace clustering as independent tasks, limiting their effectiveness. Third, they assume the availability of a held-out dataset for hyperparameter tuning, which is often impractical in real-world scenarios. Fourth, learning termination is commonly based on clustering error monitoring, requiring external labels. Finally, their performance often depends on post-processing techniques that rely on labeled data. To address this limitations, we introduce a novel single-view DSC approach that: (i) minimizes a layer-wise self expression loss using a joint representation matrix; (ii) optimizes a subspace-structured norm to enhance clustering quality; (iii) employs a multi-stage sequential learning framework, consisting of pre-training and fine-tuning, enabling the use of multiple regularization terms without hyperparameter tuning; (iv) incorporates a relative error-based self-stopping mechanism to terminate training without labels; and (v) retains a fixed number of leading coefficients in the learned representation matrix based on prior knowledge. We evaluate the proposed method on six datasets representing faces, digits, and objects. The results show that our method outperforms most linear SC algorithms with careffulyl tuned hyperparameters while maintaining competitive performance with the best performing linear appoaches.

Overparametrization often helps improve the generalization performance. This paper proposes a dual view of overparametrization suggesting that downsampling may also help generalize. Motivated by this dual view, we characterize two out-of-sample prediction risks of the sketched ridgeless least square estimator in the proportional regime masymp n asymp p, where m is the sketching size, n the sample size, and p the feature dimensionality. Our results reveal the statistical role of downsampling. Specifically, downsampling does not always hurt the generalization performance, and may actually help improve it in some cases. We identify the optimal sketching sizes that minimize the out-of-sample prediction risks, and find that the optimally sketched estimator has stabler risk curves that eliminates the peaks of those for the full-sample estimator. We then propose a practical procedure to empirically identify the optimal sketching size. Finally, we extend our results to cover central limit theorems and misspecified models. Numerical studies strongly support our theory.

The goal of automated feature generation is to liberate machine learning experts from the laborious task of manual feature generation, which is crucial for improving the learning performance of tabular data. The major challenge in automated feature generation is to efficiently and accurately identify effective features from a vast pool of candidate features. In this paper, we present OpenFE, an automated feature generation tool that provides competitive results against machine learning experts. OpenFE achieves high efficiency and accuracy with two components: 1) a novel feature boosting method for accurately evaluating the incremental performance of candidate features and 2) a two-stage pruning algorithm that performs feature pruning in a coarse-to-fine manner. Extensive experiments on ten benchmark datasets show that OpenFE outperforms existing baseline methods by a large margin. We further evaluate OpenFE in two Kaggle competitions with thousands of data science teams participating. In the two competitions, features generated by OpenFE with a simple baseline model can beat 99.3% and 99.6% data science teams respectively. In addition to the empirical results, we provide a theoretical perspective to show that feature generation can be beneficial in a simple yet representative setting. The code is available at https://github.com/ZhangTP1996/OpenFE.

We introduce MODEL SELECTOR, a framework for label-efficient selection of pretrained classifiers. Given a pool of unlabeled target data, MODEL SELECTOR samples a small subset of highly informative examples for labeling, in order to efficiently identify the best pretrained model for deployment on this target dataset. Through extensive experiments, we demonstrate that MODEL SELECTOR drastically reduces the need for labeled data while consistently picking the best or near-best performing model. Across 18 model collections on 16 different datasets, comprising over 1,500 pretrained models, MODEL SELECTOR reduces the labeling cost by up to 94.15% to identify the best model compared to the cost of the strongest baseline. Our results further highlight the robustness of MODEL SELECTOR in model selection, as it reduces the labeling cost by up to 72.41% when selecting a near-best model, whose accuracy is only within 1% of the best model.

This paper offers a new perspective to ease the challenge of domain generalization, which involves maintaining robust results even in unseen environments. Our design focuses on the decision-making process in the final classifier layer. Specifically, we propose treating the element-wise contributions to the final results as the rationale for making a decision and representing the rationale for each sample as a matrix. For a well-generalized model, we suggest the rationale matrices for samples belonging to the same category should be similar, indicating the model relies on domain-invariant clues to make decisions, thereby ensuring robust results. To implement this idea, we introduce a rationale invariance loss as a simple regularization technique, requiring only a few lines of code. Our experiments demonstrate that the proposed approach achieves competitive results across various datasets, despite its simplicity. Code is available at https://github.com/liangchen527/RIDG.

Machine learning models have recently found tremendous success in data-driven control systems. However, standard learning models often suffer from an accuracy-robustness trade-off, which is a limitation that must be overcome in the control of safety-critical systems that require both high performance and rigorous robustness guarantees. In this work, we build upon the recent "locally biased smoothing" method to develop classifiers that simultaneously inherit high accuracy from standard models and high robustness from robust models. Specifically, we extend locally biased smoothing to the multi-class setting, and then overcome its performance bottleneck by generalizing the formulation to "mix" the outputs of a standard neural network and a robust neural network. We prove that when the robustness of the robust base model is certifiable, within a closed-form ell_p radius, no alteration or attack on an input can result in misclassification of the mixed classifier; the proposed model inherits the certified robustness. Moreover, we use numerical experiments on the CIFAR-10 benchmark dataset to verify that the mixed model noticeably improves the accuracy-robustness trade-off.

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

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.

Recommendation systems (RS) aim to provide personalized content, but they face a challenge in unbiased learning due to selection bias, where users only interact with items they prefer. This bias leads to a distorted representation of user preferences, which hinders the accuracy and fairness of recommendations. To address the issue, various methods such as error imputation based, inverse propensity scoring, and doubly robust techniques have been developed. Despite the progress, from the structural causal model perspective, previous debiasing methods in RS assume the independence of the exogenous variables. In this paper, we release this assumption and propose a learning algorithm based on likelihood maximization to learn a prediction model. We first discuss the correlation and difference between unmeasured confounding and our scenario, then we propose a unified method that effectively handles latent exogenous variables. Specifically, our method models the data generation process with latent exogenous variables under mild normality assumptions. We then develop a Monte Carlo algorithm to numerically estimate the likelihood function. Extensive experiments on synthetic datasets and three real-world datasets demonstrate the effectiveness of our proposed method. The code is at https://github.com/WallaceSUI/kdd25-background-variable.

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.

This paper presents a data-driven, task-specific paradigm for experimental design, to shorten acquisition time, reduce costs, and accelerate the deployment of imaging devices. Current approaches in experimental design focus on model-parameter estimation and require specification of a particular model, whereas in imaging, other tasks may drive the design. Furthermore, such approaches often lead to intractable optimization problems in real-world imaging applications. Here we present a new paradigm for experimental design that simultaneously optimizes the design (set of image channels) and trains a machine-learning model to execute a user-specified image-analysis task. The approach obtains data densely-sampled over the measurement space (many image channels) for a small number of acquisitions, then identifies a subset of channels of prespecified size that best supports the task. We propose a method: TADRED for TAsk-DRiven Experimental Design in imaging, to identify the most informative channel-subset whilst simultaneously training a network to execute the task given the subset. Experiments demonstrate the potential of TADRED in diverse imaging applications: several clinically-relevant tasks in magnetic resonance imaging; and remote sensing and physiological applications of hyperspectral imaging. Results show substantial improvement over classical experimental design, two recent application-specific methods within the new paradigm, and state-of-the-art approaches in supervised feature selection. We anticipate further applications of our approach. Code is available: https://github.com/sbb-gh/experimental-design-multichannel

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

Causal effects are usually studied in terms of the means of counterfactual distributions, which may be insufficient in many scenarios. Given a class of densities known up to normalizing constants, we propose to model counterfactual distributions by minimizing kernel Stein discrepancies in a doubly robust manner. This enables the estimation of counterfactuals over large classes of distributions while exploiting the desired double robustness. We present a theoretical analysis of the proposed estimator, providing sufficient conditions for consistency and asymptotic normality, as well as an examination of its empirical performance.

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

The Feature Selection Library (FSLib) introduces a comprehensive suite of feature selection (FS) algorithms for MATLAB, aimed at improving machine learning and data mining tasks. FSLib encompasses filter, embedded, and wrapper methods to cater to diverse FS requirements. Filter methods focus on the inherent characteristics of features, embedded methods incorporate FS within model training, and wrapper methods assess features through model performance metrics. By enabling effective feature selection, FSLib addresses the curse of dimensionality, reduces computational load, and enhances model generalizability. The elimination of redundant features through FSLib streamlines the training process, improving efficiency and scalability. This facilitates faster model development and boosts key performance indicators such as accuracy, precision, and recall by focusing on vital features. Moreover, FSLib contributes to data interpretability by revealing important features, aiding in pattern recognition and understanding. Overall, FSLib provides a versatile framework that not only simplifies feature selection but also significantly benefits the machine learning and data mining ecosystem by offering a wide range of algorithms, reducing dimensionality, accelerating model training, improving model outcomes, and enhancing data insights.

Machine learning models are vulnerable to adversarial perturbations, and a thought-provoking paper by Bubeck and Sellke has analyzed this phenomenon through the lens of over-parameterization: interpolating smoothly the data requires significantly more parameters than simply memorizing it. However, this "universal" law provides only a necessary condition for robustness, and it is unable to discriminate between models. In this paper, we address these gaps by focusing on empirical risk minimization in two prototypical settings, namely, random features and the neural tangent kernel (NTK). We prove that, for random features, the model is not robust for any degree of over-parameterization, even when the necessary condition coming from the universal law of robustness is satisfied. In contrast, for even activations, the NTK model meets the universal lower bound, and it is robust as soon as the necessary condition on over-parameterization is fulfilled. This also addresses a conjecture in prior work by Bubeck, Li and Nagaraj. Our analysis decouples the effect of the kernel of the model from an "interaction matrix", which describes the interaction with the test data and captures the effect of the activation. Our theoretical results are corroborated by numerical evidence on both synthetic and standard datasets (MNIST, CIFAR-10).

Multimodal Large Language Models excel in various tasks, yet often struggle with modality bias, where the model tends to rely heavily on a single modality and overlook critical information in other modalities, which leads to incorrect focus and generating irrelevant responses. In this paper, we propose using the paradigm of preference optimization to solve the modality bias problem, including RLAIFVBias, a debiased preference optimization dataset, and a Noise Aware Preference Optimization algorithm. Specifically, we first construct the dataset by introducing perturbations to reduce the informational content of certain modalities, compelling the model to rely on a specific modality when generating negative responses. To address the inevitable noise in automatically constructed data, we combine the noise robust Mean Absolute Error with the Binary Cross Entropy in Direct Preference Optimization by a negative Box Cox transformation, and dynamically adjust the algorithm noise robustness based on the evaluated noise levels in the data. Extensive experiments validate our approach, demonstrating not only its effectiveness in mitigating modality bias but also its significant role in minimizing hallucinations.

We study subsampling-based ridge ensembles in the proportional asymptotics regime, where the feature size grows proportionally with the sample size such that their ratio converges to a constant. By analyzing the squared prediction risk of ridge ensembles as a function of the explicit penalty lambda and the limiting subsample aspect ratio phi_s (the ratio of the feature size to the subsample size), we characterize contours in the (lambda, phi_s)-plane at any achievable risk. As a consequence, we prove that the risk of the optimal full ridgeless ensemble (fitted on all possible subsamples) matches that of the optimal ridge predictor. In addition, we prove strong uniform consistency of generalized cross-validation (GCV) over the subsample sizes for estimating the prediction risk of ridge ensembles. This allows for GCV-based tuning of full ridgeless ensembles without sample splitting and yields a predictor whose risk matches optimal ridge risk.

Training classifiers is difficult with severe class imbalance, but many rare events are the culmination of a sequence with much more common intermediate outcomes. For example, in online marketing a user first sees an ad, then may click on it, and finally may make a purchase; estimating the probability of purchases is difficult because of their rarity. We show both theoretically and through data experiments that the more abundant data in earlier steps may be leveraged to improve estimation of probabilities of rare events. We present PRESTO, a relaxation of the proportional odds model for ordinal regression. Instead of estimating weights for one separating hyperplane that is shifted by separate intercepts for each of the estimated Bayes decision boundaries between adjacent pairs of categorical responses, we estimate separate weights for each of these transitions. We impose an L1 penalty on the differences between weights for the same feature in adjacent weight vectors in order to shrink towards the proportional odds model. We prove that PRESTO consistently estimates the decision boundary weights under a sparsity assumption. Synthetic and real data experiments show that our method can estimate rare probabilities in this setting better than both logistic regression on the rare category, which fails to borrow strength from more abundant categories, and the proportional odds model, which is too inflexible.

Recently, efficient fine-tuning of large-scale pre-trained models has attracted increasing research interests, where linear probing (LP) as a fundamental module is involved in exploiting the final representations for task-dependent classification. However, most of the existing methods focus on how to effectively introduce a few of learnable parameters, and little work pays attention to the commonly used LP module. In this paper, we propose a novel Moment Probing (MP) method to further explore the potential of LP. Distinguished from LP which builds a linear classification head based on the mean of final features (e.g., word tokens for ViT) or classification tokens, our MP performs a linear classifier on feature distribution, which provides the stronger representation ability by exploiting richer statistical information inherent in features. Specifically, we represent feature distribution by its characteristic function, which is efficiently approximated by using first- and second-order moments of features. Furthermore, we propose a multi-head convolutional cross-covariance (MHC^3) to compute second-order moments in an efficient and effective manner. By considering that MP could affect feature learning, we introduce a partially shared module to learn two recalibrating parameters (PSRP) for backbones based on MP, namely MP_{+}. Extensive experiments on ten benchmarks using various models show that our MP significantly outperforms LP and is competitive with counterparts at less training cost, while our MP_{+} achieves state-of-the-art performance.

Representation learning has been a critical topic in machine learning. In Click-through Rate Prediction, most features are represented as embedding vectors and learned simultaneously with other parameters in the model. With the development of CTR models, feature representation learning has become a trending topic and has been extensively studied by both industrial and academic researchers in recent years. This survey aims at summarizing the feature representation learning in a broader picture and pave the way for future research. To achieve such a goal, we first present a taxonomy of current research methods on feature representation learning following two main issues: (i) which feature to represent and (ii) how to represent these features. Then we give a detailed description of each method regarding these two issues. Finally, the review concludes with a discussion on the future directions of this field.

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

Some recent studies have described deep convolutional neural networks to diagnose breast cancer in mammograms with similar or even superior performance to that of human experts. One of the best techniques does two transfer learnings: the first uses a model trained on natural images to create a "patch classifier" that categorizes small subimages; the second uses the patch classifier to scan the whole mammogram and create the "single-view whole-image classifier". We propose to make a third transfer learning to obtain a "two-view classifier" to use the two mammographic views: bilateral craniocaudal and mediolateral oblique. We use EfficientNet as the basis of our model. We "end-to-end" train the entire system using CBIS-DDSM dataset. To ensure statistical robustness, we test our system twice using: (a) 5-fold cross validation; and (b) the original training/test division of the dataset. Our technique reached an AUC of 0.9344 using 5-fold cross validation (accuracy, sensitivity and specificity are 85.13% at the equal error rate point of ROC). Using the original dataset division, our technique achieved an AUC of 0.8483, as far as we know the highest reported AUC for this problem, although the subtle differences in the testing conditions of each work do not allow for an accurate comparison. The inference code and model are available at https://github.com/dpetrini/two-views-classifier

Automated model selection is often proposed to users to choose which machine learning model (or method) to apply to a given regression task. In this paper, we show that combining different regression models can yield better results than selecting a single ('best') regression model, and outline an efficient method that obtains optimally weighted convex linear combination from a heterogeneous set of regression models. More specifically, in this paper, a heuristic weight optimization, used in a preceding conference paper, is replaced by an exact optimization algorithm using convex quadratic programming. We prove convexity of the quadratic programming formulation for the straightforward formulation and for a formulation with weighted data points. The novel weight optimization is not only (more) exact but also more efficient. The methods we develop in this paper are implemented and made available via github-open source. They can be executed on commonly available hardware and offer a transparent and easy to interpret interface. The results indicate that the approach outperforms model selection methods on a range of data sets, including data sets with mixed variable type from drug discovery applications.

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

Cross-validation is the de facto standard for predictive model evaluation and selection. In proper use, it provides an unbiased estimate of a model's predictive performance. However, data sets often undergo various forms of data-dependent preprocessing, such as mean-centering, rescaling, dimensionality reduction, and outlier removal. It is often believed that such preprocessing stages, if done in an unsupervised manner (that does not incorporate the class labels or response values) are generally safe to do prior to cross-validation. In this paper, we study three commonly-practiced preprocessing procedures prior to a regression analysis: (i) variance-based feature selection; (ii) grouping of rare categorical features; and (iii) feature rescaling. We demonstrate that unsupervised preprocessing can, in fact, introduce a substantial bias into cross-validation estimates and potentially hurt model selection. This bias may be either positive or negative and its exact magnitude depends on all the parameters of the problem in an intricate manner. Further research is needed to understand the real-world impact of this bias across different application domains, particularly when dealing with small sample sizes and high-dimensional data.

Sample selection is a prevalent method in learning with noisy labels, where small-loss data are typically considered as correctly labeled data. However, this method may not effectively identify clean hard examples with large losses, which are critical for achieving the model's close-to-optimal generalization performance. In this paper, we propose a new framework, Late Stopping, which leverages the intrinsic robust learning ability of DNNs through a prolonged training process. Specifically, Late Stopping gradually shrinks the noisy dataset by removing high-probability mislabeled examples while retaining the majority of clean hard examples in the training set throughout the learning process. We empirically observe that mislabeled and clean examples exhibit differences in the number of epochs required for them to be consistently and correctly classified, and thus high-probability mislabeled examples can be removed. Experimental results on benchmark-simulated and real-world noisy datasets demonstrate that the proposed method outperforms state-of-the-art counterparts.

We propose TAROT, a targeted data selection framework grounded in optimal transport theory. Previous targeted data selection methods primarily rely on influence-based greedy heuristics to enhance domain-specific performance. While effective on limited, unimodal data (i.e., data following a single pattern), these methods struggle as target data complexity increases. Specifically, in multimodal distributions, these heuristics fail to account for multiple inherent patterns, leading to suboptimal data selection. This work identifies two primary factors contributing to this limitation: (i) the disproportionate impact of dominant feature components in high-dimensional influence estimation, and (ii) the restrictive linear additive assumptions inherent in greedy selection strategies. To address these challenges, TAROT incorporates whitened feature distance to mitigate dominant feature bias, providing a more reliable measure of data influence. Building on this, TAROT uses whitened feature distance to quantify and minimize the optimal transport distance between the selected data and target domains. Notably, this minimization also facilitates the estimation of optimal selection ratios. We evaluate TAROT across multiple tasks, including semantic segmentation, motion prediction, and instruction tuning. Results consistently show that TAROT outperforms state-of-the-art methods, highlighting its versatility across various deep learning tasks. Code is available at https://github.com/vita-epfl/TAROT.

In this paper, we propose a speed-up approach for subclass discriminant analysis and formulate a novel efficient multi-view solution to it. The speed-up approach is developed based on graph embedding and spectral regression approaches that involve eigendecomposition of the corresponding Laplacian matrix and regression to its eigenvectors. We show that by exploiting the structure of the between-class Laplacian matrix, the eigendecomposition step can be substituted with a much faster process. Furthermore, we formulate a novel criterion for multi-view subclass discriminant analysis and show that an efficient solution for it can be obtained in a similar to the single-view manner. We evaluate the proposed methods on nine single-view and nine multi-view datasets and compare them with related existing approaches. Experimental results show that the proposed solutions achieve competitive performance, often outperforming the existing methods. At the same time, they significantly decrease the training time.

In an era where accumulating data is easy and storing it inexpensive, feature selection plays a central role in helping to reduce the high-dimensionality of huge amounts of otherwise meaningless data. In this paper, we propose a graph-based method for feature selection that ranks features by identifying the most important ones into arbitrary set of cues. Mapping the problem on an affinity graph-where features are the nodes-the solution is given by assessing the importance of nodes through some indicators of centrality, in particular, the Eigen-vector Centrality (EC). The gist of EC is to estimate the importance of a feature as a function of the importance of its neighbors. Ranking central nodes individuates candidate features, which turn out to be effective from a classification point of view, as proved by a thoroughly experimental section. Our approach has been tested on 7 diverse datasets from recent literature (e.g., biological data and object recognition, among others), and compared against filter, embedded and wrappers methods. The results are remarkable in terms of accuracy, stability and low execution time.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

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.

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.

Tabular biomedical data poses challenges in machine learning because it is often high-dimensional and typically low-sample-size (HDLSS). Previous research has attempted to address these challenges via local feature selection, but existing approaches often fail to achieve optimal performance due to their limitation in identifying globally important features and their susceptibility to the co-adaptation problem. In this paper, we propose ProtoGate, a prototype-based neural model for feature selection on HDLSS data. ProtoGate first selects instance-wise features via adaptively balancing global and local feature selection. Furthermore, ProtoGate employs a non-parametric prototype-based prediction mechanism to tackle the co-adaptation problem, ensuring the feature selection results and predictions are consistent with underlying data clusters. We conduct comprehensive experiments to evaluate the performance and interpretability of ProtoGate on synthetic and real-world datasets. The results show that ProtoGate generally outperforms state-of-the-art methods in prediction accuracy by a clear margin while providing high-fidelity feature selection and explainable predictions. Code is available at https://github.com/SilenceX12138/ProtoGate.

Feature preprocessing continues to play a critical role when applying machine learning and statistical methods to tabular data. In this paper, we propose the use of the kernel density integral transformation as a feature preprocessing step. Our approach subsumes the two leading feature preprocessing methods as limiting cases: linear min-max scaling and quantile transformation. We demonstrate that, without hyperparameter tuning, the kernel density integral transformation can be used as a simple drop-in replacement for either method, offering protection from the weaknesses of each. Alternatively, with tuning of a single continuous hyperparameter, we frequently outperform both of these methods. Finally, we show that the kernel density transformation can be profitably applied to statistical data analysis, particularly in correlation analysis and univariate clustering.

Sparse autoencoders (SAEs) are a promising approach to extracting features from neural networks, enabling model interpretability as well as causal interventions on model internals. SAEs generate sparse feature representations using a sparsifying activation function that implicitly defines a set of token-feature matches. We frame the token-feature matching as a resource allocation problem constrained by a total sparsity upper bound. For example, TopK SAEs solve this allocation problem with the additional constraint that each token matches with at most k features. In TopK SAEs, the k active features per token constraint is the same across tokens, despite some tokens being more difficult to reconstruct than others. To address this limitation, we propose two novel SAE variants, Feature Choice SAEs and Mutual Choice SAEs, which each allow for a variable number of active features per token. Feature Choice SAEs solve the sparsity allocation problem under the additional constraint that each feature matches with at most m tokens. Mutual Choice SAEs solve the unrestricted allocation problem where the total sparsity budget can be allocated freely between tokens and features. Additionally, we introduce a new auxiliary loss function, aux_zipf_loss, which generalises the aux_k_loss to mitigate dead and underutilised features. Our methods result in SAEs with fewer dead features and improved reconstruction loss at equivalent sparsity levels as a result of the inherent adaptive computation. More accurate and scalable feature extraction methods provide a path towards better understanding and more precise control of foundation models.

We establish a new theoretical framework for learning under multi-class, instance-dependent label noise. This framework casts learning with label noise as a form of domain adaptation, in particular, domain adaptation under posterior drift. We introduce the concept of relative signal strength (RSS), a pointwise measure that quantifies the transferability from noisy to clean posterior. Using RSS, we establish nearly matching upper and lower bounds on the excess risk. Our theoretical findings support the simple Noise Ignorant Empirical Risk Minimization (NI-ERM) principle, which minimizes empirical risk while ignoring label noise. Finally, we translate this theoretical insight into practice: by using NI-ERM to fit a linear classifier on top of a self-supervised feature extractor, we achieve state-of-the-art performance on the CIFAR-N data challenge.

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

Mixup is a data augmentation technique that relies on training using random convex combinations of data points and their labels. In recent years, Mixup has become a standard primitive used in the training of state-of-the-art image classification models due to its demonstrated benefits over empirical risk minimization with regards to generalization and robustness. In this work, we try to explain some of this success from a feature learning perspective. We focus our attention on classification problems in which each class may have multiple associated features (or views) that can be used to predict the class correctly. Our main theoretical results demonstrate that, for a non-trivial class of data distributions with two features per class, training a 2-layer convolutional network using empirical risk minimization can lead to learning only one feature for almost all classes while training with a specific instantiation of Mixup succeeds in learning both features for every class. We also show empirically that these theoretical insights extend to the practical settings of image benchmarks modified to have multiple features.

Deep neural networks perform remarkably well on image classification tasks but remain vulnerable to carefully crafted adversarial perturbations. This work revisits linear dimensionality reduction as a simple, data-adapted defense. We empirically compare standard Principal Component Analysis (PCA) with its sparse variant (SPCA) as front-end feature extractors for downstream classifiers, and we complement these experiments with a theoretical analysis. On the theory side, we derive exact robustness certificates for linear heads applied to SPCA features: for both ell_infty and ell_2 threat models (binary and multiclass), the certified radius grows as the dual norms of W^top u shrink, where W is the projection and u the head weights. We further show that for general (non-linear) heads, sparsity reduces operator-norm bounds through a Lipschitz composition argument, predicting lower input sensitivity. Empirically, with a small non-linear network after the projection, SPCA consistently degrades more gracefully than PCA under strong white-box and black-box attacks while maintaining competitive clean accuracy. Taken together, the theory identifies the mechanism (sparser projections reduce adversarial leverage) and the experiments verify that this benefit persists beyond the linear setting. Our code is available at https://github.com/killian31/SPCARobustness.

Robustness to adversarial attack is typically evaluated with adversarial accuracy. This metric quantifies the number of points for which, given a threat model, successful adversarial perturbations cannot be found. While essential, this metric does not capture all aspects of robustness and in particular leaves out the question of how many perturbations can be found for each point. In this work we introduce an alternative approach, adversarial sparsity, which quantifies how difficult it is to find a successful perturbation given both an input point and a constraint on the direction of the perturbation. This constraint may be angular (L2 perturbations), or based on the number of pixels (Linf perturbations). We show that sparsity provides valuable insight on neural networks in multiple ways. analyzing the sparsity of existing robust models illustrates important differences between them that accuracy analysis does not, and suggests approaches for improving their robustness. When applying broken defenses effective against weak attacks but not strong ones, sparsity can discriminate between the totally ineffective and the partially effective defenses. Finally, with sparsity we can measure increases in robustness that do not affect accuracy: we show for example that data augmentation can by itself increase adversarial robustness, without using adversarial training.

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.

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

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

The explosion of large-scale data in fields such as finance, e-commerce, and social media has outstripped the processing capabilities of single-machine systems, driving the need for distributed statistical inference methods. Traditional approaches to distributed inference often struggle with achieving true sparsity in high-dimensional datasets and involve high computational costs. We propose a novel, two-stage, distributed best subset selection algorithm to address these issues. Our approach starts by efficiently estimating the active set while adhering to the ell_0 norm-constrained surrogate likelihood function, effectively reducing dimensionality and isolating key variables. A refined estimation within the active set follows, ensuring sparse estimates and matching the minimax ell_2 error bound. We introduce a new splicing technique for adaptive parameter selection to tackle subproblems under ell_0 constraints and a Generalized Information Criterion (GIC). Our theoretical and numerical studies show that the proposed algorithm correctly finds the true sparsity pattern, has the oracle property, and greatly lowers communication costs. This is a big step forward in distributed sparse estimation.

We propose a novel framework for incorporating unlabeled data into semi-supervised classification problems, where scenarios involving the minimization of either i) adversarially robust or ii) non-robust loss functions have been considered. Notably, we allow the unlabeled samples to deviate slightly (in total variation sense) from the in-domain distribution. The core idea behind our framework is to combine Distributionally Robust Optimization (DRO) with self-supervised training. As a result, we also leverage efficient polynomial-time algorithms for the training stage. From a theoretical standpoint, we apply our framework on the classification problem of a mixture of two Gaussians in R^d, where in addition to the m independent and labeled samples from the true distribution, a set of n (usually with ngg m) out of domain and unlabeled samples are given as well. Using only the labeled data, it is known that the generalization error can be bounded by proptoleft(d/mright)^{1/2}. However, using our method on both isotropic and non-isotropic Gaussian mixture models, one can derive a new set of analytically explicit and non-asymptotic bounds which show substantial improvement on the generalization error compared to ERM. Our results underscore two significant insights: 1) out-of-domain samples, even when unlabeled, can be harnessed to narrow the generalization gap, provided that the true data distribution adheres to a form of the ``cluster assumption", and 2) the semi-supervised learning paradigm can be regarded as a special case of our framework when there are no distributional shifts. We validate our claims through experiments conducted on a variety of synthetic and real-world datasets.

We propose a game-based formulation for learning dimensionality-reducing representations of feature vectors, when only a prior knowledge on future prediction tasks is available. In this game, the first player chooses a representation, and then the second player adversarially chooses a prediction task from a given class, representing the prior knowledge. The first player aims is to minimize, and the second player to maximize, the regret: The minimal prediction loss using the representation, compared to the same loss using the original features. For the canonical setting in which the representation, the response to predict and the predictors are all linear functions, and under the mean squared error loss function, we derive the theoretically optimal representation in pure strategies, which shows the effectiveness of the prior knowledge, and the optimal regret in mixed strategies, which shows the usefulness of randomizing the representation. For general representations and loss functions, we propose an efficient algorithm to optimize a randomized representation. The algorithm only requires the gradients of the loss function, and is based on incrementally adding a representation rule to a mixture of such rules.

Nonlinear sufficient dimension reductionlibing_generalSDR, which constructs nonlinear low-dimensional representations to summarize essential features of high-dimensional data, is an important branch of representation learning. However, most existing methods are not applicable when the response variables are complex non-Euclidean random objects, which are frequently encountered in many recent statistical applications. In this paper, we introduce a new statistical dependence measure termed Fr\'echet Cumulative Covariance (FCCov) and develop a novel nonlinear SDR framework based on FCCov. Our approach is not only applicable to complex non-Euclidean data, but also exhibits robustness against outliers. We further incorporate Feedforward Neural Networks (FNNs) and Convolutional Neural Networks (CNNs) to estimate nonlinear sufficient directions in the sample level. Theoretically, we prove that our method with squared Frobenius norm regularization achieves unbiasedness at the sigma-field level. Furthermore, we establish non-asymptotic convergence rates for our estimators based on FNNs and ResNet-type CNNs, which match the minimax rate of nonparametric regression up to logarithmic factors. Intensive simulation studies verify the performance of our methods in both Euclidean and non-Euclidean settings. We apply our method to facial expression recognition datasets and the results underscore more realistic and broader applicability of our proposal.

Spurious correlations in the data, where multiple cues are predictive of the target labels, often lead to a phenomenon known as simplicity bias, where a model relies on erroneous, easy-to-learn cues while ignoring reliable ones. In this work, we propose an ensemble diversification framework exploiting Diffusion Probabilistic Models (DPMs) for shortcut bias mitigation. We show that at particular training intervals, DPMs can generate images with novel feature combinations, even when trained on images displaying correlated input features. We leverage this crucial property to generate synthetic counterfactuals to increase model diversity via ensemble disagreement. We show that DPM-guided diversification is sufficient to remove dependence on primary shortcut cues, without a need for additional supervised signals. We further empirically quantify its efficacy on several diversification objectives, and finally show improved generalization and diversification performance on par with prior work that relies on auxiliary data collection.

This paper presents X3D, a family of efficient video networks that progressively expand a tiny 2D image classification architecture along multiple network axes, in space, time, width and depth. Inspired by feature selection methods in machine learning, a simple stepwise network expansion approach is employed that expands a single axis in each step, such that good accuracy to complexity trade-off is achieved. To expand X3D to a specific target complexity, we perform progressive forward expansion followed by backward contraction. X3D achieves state-of-the-art performance while requiring 4.8x and 5.5x fewer multiply-adds and parameters for similar accuracy as previous work. Our most surprising finding is that networks with high spatiotemporal resolution can perform well, while being extremely light in terms of network width and parameters. We report competitive accuracy at unprecedented efficiency on video classification and detection benchmarks. Code will be available at: https://github.com/facebookresearch/SlowFast

Machine learning models often have uneven performance among subpopulations (a.k.a., groups) in the data distributions. This poses a significant challenge for the models to generalize when the proportions of the groups shift during deployment. To improve robustness to such shifts, existing approaches have developed strategies that train models or perform hyperparameter tuning using the group-labeled data to minimize the worst-case loss over groups. However, a non-trivial amount of high-quality labels is often required to obtain noticeable improvements. Given the costliness of the labels, we propose to adopt a different paradigm to enhance group label efficiency: utilizing the group-labeled data as a target set to optimize the weights of other group-unlabeled data. We introduce Group-robust Sample Reweighting (GSR), a two-stage approach that first learns the representations from group-unlabeled data, and then tinkers the model by iteratively retraining its last layer on the reweighted data using influence functions. Our GSR is theoretically sound, practically lightweight, and effective in improving the robustness to subpopulation shifts. In particular, GSR outperforms the previous state-of-the-art approaches that require the same amount or even more group labels.

We propose a simple multiple outlier identification method for parametric location-scale and shape-scale models when the number of possible outliers is not specified. The method is based on a result giving asymptotic properties of extreme z-scores. Robust estimators of model parameters are used defining z-scores. An extensive simulation study was done for comparing of the proposed method with existing methods. For the normal family, the method is compared with the well known Davies-Gather, Rosner's, Hawking's and Bolshev's multiple outlier identification methods. The choice of an upper limit for the number of possible outliers in case of Rosner's test application is discussed. For other families, the proposed method is compared with a method generalizing Gather-Davies method. In most situations, the new method has the highest outlier identification power in terms of masking and swamping values. We also created R package outliersTests for proposed test.

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

Multi-task learning (MTL) has been successfully used in many real-world applications, which aims to simultaneously solve multiple tasks with a single model. The general idea of multi-task learning is designing kinds of global parameter sharing mechanism and task-specific feature extractor to improve the performance of all tasks. However, challenge still remains in balancing the trade-off of various tasks since model performance is sensitive to the relationships between them. Less correlated or even conflict tasks will deteriorate the performance by introducing unhelpful or negative information. Therefore, it is important to efficiently exploit and learn fine-grained feature representation corresponding to each task. In this paper, we propose an Adaptive Pattern Extraction Multi-task (APEM) framework, which is adaptive and flexible for large-scale industrial application. APEM is able to fully utilize the feature information by learning the interactions between the input feature fields and extracted corresponding tasks-specific information. We first introduce a DeepAuto Group Transformer module to automatically and efficiently enhance the feature expressivity with a modified set attention mechanism and a Squeeze-and-Excitation operation. Second, explicit Pattern Selector is introduced to further enable selectively feature representation learning by adaptive task-indicator vectors. Empirical evaluations show that APEM outperforms the state-of-the-art MTL methods on public and real-world financial services datasets. More importantly, we explore the online performance of APEM in a real industrial-level recommendation scenario.

Precision medicine, such as patient-adaptive treatments assisted by medical image analysis, poses new challenges for segmentation algorithms in adapting to new patients, due to the large variability across different patients and the limited availability of annotated data for each patient. In this work, we propose a data-efficient segmentation algorithm, namely Part-aware Prompted Segment Anything Model (P^2SAM). Without any model fine-tuning, P^2SAM enables seamless adaptation to any new patients relying only on one-shot patient-specific data. We introduce a novel part-aware prompt mechanism to select multiple-point prompts based on the part-level features of the one-shot data, which can be extensively integrated into different promptable segmentation models, such as SAM and SAM 2. Moreover, to determine the optimal number of parts for each specific case, we propose a distribution-guided retrieval approach that further enhances the robustness of the part-aware prompt mechanism. P^2SAM improves the performance by +8.0% and +2.0% mean Dice score for two different patient-adaptive segmentation applications, respectively. In addition, P^2SAM also exhibits impressive generalizability in other adaptive segmentation tasks in the natural image domain, e.g., +6.4% mIoU within personalized object segmentation task. The code is available at: https://github.com/Zch0414/p2sam

Despite apparent human-level performances of deep neural networks (DNN), they behave fundamentally differently from humans. They easily change predictions when small corruptions such as blur and noise are applied on the input (lack of robustness), and they often produce confident predictions on out-of-distribution samples (improper uncertainty measure). While a number of researches have aimed to address those issues, proposed solutions are typically expensive and complicated (e.g. Bayesian inference and adversarial training). Meanwhile, many simple and cheap regularization methods have been developed to enhance the generalization of classifiers. Such regularization methods have largely been overlooked as baselines for addressing the robustness and uncertainty issues, as they are not specifically designed for that. In this paper, we provide extensive empirical evaluations on the robustness and uncertainty estimates of image classifiers (CIFAR-100 and ImageNet) trained with state-of-the-art regularization methods. Furthermore, experimental results show that certain regularization methods can serve as strong baseline methods for robustness and uncertainty estimation of DNNs.

To learn intrinsic low-dimensional structures from high-dimensional data that most discriminate between classes, we propose the principle of Maximal Coding Rate Reduction (MCR^2), an information-theoretic measure that maximizes the coding rate difference between the whole dataset and the sum of each individual class. We clarify its relationships with most existing frameworks such as cross-entropy, information bottleneck, information gain, contractive and contrastive learning, and provide theoretical guarantees for learning diverse and discriminative features. The coding rate can be accurately computed from finite samples of degenerate subspace-like distributions and can learn intrinsic representations in supervised, self-supervised, and unsupervised settings in a unified manner. Empirically, the representations learned using this principle alone are significantly more robust to label corruptions in classification than those using cross-entropy, and can lead to state-of-the-art results in clustering mixed data from self-learned invariant features.

The top-down and bottom-up methods are two mainstreams of referring segmentation, while both methods have their own intrinsic weaknesses. Top-down methods are chiefly disturbed by Polar Negative (PN) errors owing to the lack of fine-grained cross-modal alignment. Bottom-up methods are mainly perturbed by Inferior Positive (IP) errors due to the lack of prior object information. Nevertheless, we discover that two types of methods are highly complementary for restraining respective weaknesses but the direct average combination leads to harmful interference. In this context, we build Win-win Cooperation (WiCo) to exploit complementary nature of two types of methods on both interaction and integration aspects for achieving a win-win improvement. For the interaction aspect, Complementary Feature Interaction (CFI) provides fine-grained information to top-down branch and introduces prior object information to bottom-up branch for complementary feature enhancement. For the integration aspect, Gaussian Scoring Integration (GSI) models the gaussian performance distributions of two branches and weightedly integrates results by sampling confident scores from the distributions. With our WiCo, several prominent top-down and bottom-up combinations achieve remarkable improvements on three common datasets with reasonable extra costs, which justifies effectiveness and generality of our method.

Unsupervised pretraining, which learns a useful representation using a large amount of unlabeled data to facilitate the learning of downstream tasks, is a critical component of modern large-scale machine learning systems. Despite its tremendous empirical success, the rigorous theoretical understanding of why unsupervised pretraining generally helps remains rather limited -- most existing results are restricted to particular methods or approaches for unsupervised pretraining with specialized structural assumptions. This paper studies a generic framework, where the unsupervised representation learning task is specified by an abstract class of latent variable models Phi and the downstream task is specified by a class of prediction functions Psi. We consider a natural approach of using Maximum Likelihood Estimation (MLE) for unsupervised pretraining and Empirical Risk Minimization (ERM) for learning downstream tasks. We prove that, under a mild ''informative'' condition, our algorithm achieves an excess risk of mathcal{O}(mathcal{C_Phi/m} + mathcal{C_Psi/n}) for downstream tasks, where C_Phi, C_Psi are complexity measures of function classes Phi, Psi, and m, n are the number of unlabeled and labeled data respectively. Comparing to the baseline of mathcal{O}(mathcal{C_{Phi circ Psi}/n}) achieved by performing supervised learning using only the labeled data, our result rigorously shows the benefit of unsupervised pretraining when m gg n and C_{Phicirc Psi} > C_Psi. This paper further shows that our generic framework covers a wide range of approaches for unsupervised pretraining, including factor models, Gaussian mixture models, and contrastive learning.

High-quality pre-training data is crutial for large language models, where quality captures factual reliability and semantic value, and diversity ensures broad coverage and distributional heterogeneity. Existing approaches typically rely on single or multiple-dimensional score-based selection. However, directly selecting top-scored data often degrades performance, and sampling from a broader range is required to recover results. The above non-monotonicity between dataset scores and downstream benchmark results reveals a fundamental bias: score-based methods collapse correlated dimensions, causing top-scored data to appear high-quality while systematically overlooking diversity. We argue that ensuring diversity requires decomposing correlated metrics into orthogonal feature dimensions, from which the top-scored data can be directly selected. Therefore, we proposed the Orthogonal Diversity-Aware Selection (ODiS) algorithm, which preserves both quality and diversity during data selection. First, ODiS evaluates data from multiple dimensions, covering language quality, knowledge quality, and comprehension difficulty. The multi-dimensional scores are then decorrelated via Principal Component Analysis (PCA), yielding orthogonal evaluation dimensions. For each dimension, a Roberta-based scorer is trained to regress the data onto PCA-projected scores, enabling scalable inference on large corpora. Finally, ODiS constructs the training dataset by selecting top-scored data within each orthogonal dimension, thereby ensuring both quality and diversity. Empirical results show that ODiS-selected data exhibit less than 2\% inter-dimension overlap, confirming orthogonality between dimensions. More importantly, models trained with ODiS-selected data significantly outperform other baselines on downstream benchmarks, highlighting the necessity of orthogonal, diversity-aware data selection for LLMs.

We might hope that when faced with unexpected inputs, well-designed software systems would fire off warnings. Machine learning (ML) systems, however, which depend strongly on properties of their inputs (e.g. the i.i.d. assumption), tend to fail silently. This paper explores the problem of building ML systems that fail loudly, investigating methods for detecting dataset shift, identifying exemplars that most typify the shift, and quantifying shift malignancy. We focus on several datasets and various perturbations to both covariates and label distributions with varying magnitudes and fractions of data affected. Interestingly, we show that across the dataset shifts that we explore, a two-sample-testing-based approach, using pre-trained classifiers for dimensionality reduction, performs best. Moreover, we demonstrate that domain-discriminating approaches tend to be helpful for characterizing shifts qualitatively and determining if they are harmful.

The concept class of low-degree polynomial threshold functions (PTFs) plays a fundamental role in machine learning. In this paper, we study PAC learning of K-sparse degree-d PTFs on R^n, where any such concept depends only on K out of n attributes of the input. Our main contribution is a new algorithm that runs in time ({nd}/{epsilon})^{O(d)} and under the Gaussian marginal distribution, PAC learns the class up to error rate epsilon with O(K^{4d}{epsilon^{2d}} cdot log^{5d} n) samples even when an eta leq O(epsilon^d) fraction of them are corrupted by the nasty noise of Bshouty et al. (2002), possibly the strongest corruption model. Prior to this work, attribute-efficient robust algorithms are established only for the special case of sparse homogeneous halfspaces. Our key ingredients are: 1) a structural result that translates the attribute sparsity to a sparsity pattern of the Chow vector under the basis of Hermite polynomials, and 2) a novel attribute-efficient robust Chow vector estimation algorithm which uses exclusively a restricted Frobenius norm to either certify a good approximation or to validate a sparsity-induced degree-2d polynomial as a filter to detect corrupted samples.

Few-shot classification involves identifying new categories using a limited number of labeled samples. Current few-shot classification methods based on local descriptors primarily leverage underlying consistent features across visible and invisible classes, facing challenges including redundant neighboring information, noisy representations, and limited interpretability. This paper proposes a Feature Aligning Few-shot Learning Method Using Local Descriptors Weighted Rules (FAFD-LDWR). It innovatively introduces a cross-normalization method into few-shot image classification to preserve the discriminative information of local descriptors as much as possible; and enhances classification performance by aligning key local descriptors of support and query sets to remove background noise. FAFD-LDWR performs excellently on three benchmark datasets , outperforming state-of-the-art methods in both 1-shot and 5-shot settings. The designed visualization experiments also demonstrate FAFD-LDWR's improvement in prediction interpretability.

Accurate breast lesion risk estimation can significantly reduce unnecessary biopsies and help doctors decide optimal treatment plans. Most existing computer-aided systems rely solely on mammogram features to classify breast lesions. While this approach is convenient, it does not fully exploit useful information in clinical reports to achieve the optimal performance. Would clinical features significantly improve breast lesion classification compared to using mammograms alone? How to handle missing clinical information caused by variation in medical practice? What is the best way to combine mammograms and clinical features? There is a compelling need for a systematic study to address these fundamental questions. This paper investigates several multimodal deep networks based on feature concatenation, cross-attention, and co-attention to combine mammograms and categorical clinical variables. We show that the proposed architectures significantly increase the lesion classification performance (average area under ROC curves from 0.89 to 0.94). We also evaluate the model when clinical variables are missing.

To leverage the copious amount of data from source tasks and overcome the scarcity of the target task samples, representation learning based on multi-task pretraining has become a standard approach in many applications. However, up until now, most existing works design a source task selection strategy from a purely empirical perspective. Recently, chen2022active gave the first active multi-task representation learning (A-MTRL) algorithm which adaptively samples from source tasks and can provably reduce the total sample complexity using the L2-regularized-target-source-relevance parameter nu^2. But their work is theoretically suboptimal in terms of total source sample complexity and is less practical in some real-world scenarios where sparse training source task selection is desired. In this paper, we address both issues. Specifically, we show the strict dominance of the L1-regularized-relevance-based (nu^1-based) strategy by giving a lower bound for the nu^2-based strategy. When nu^1 is unknown, we propose a practical algorithm that uses the LASSO program to estimate nu^1. Our algorithm successfully recovers the optimal result in the known case. In addition to our sample complexity results, we also characterize the potential of our nu^1-based strategy in sample-cost-sensitive settings. Finally, we provide experiments on real-world computer vision datasets to illustrate the effectiveness of our proposed method.

Few-shot class-incremental learning (FSCIL) confronts the challenge of integrating new classes into a model with minimal training samples while preserving the knowledge of previously learned classes. Traditional methods widely adopt static adaptation relying on a fixed parameter space to learn from data that arrive sequentially, prone to overfitting to the current session. Existing dynamic strategies require the expansion of the parameter space continually, leading to increased complexity. To address these challenges, we integrate the recently proposed selective state space model (SSM) into FSCIL. Concretely, we propose a dual selective SSM projector that dynamically adjusts the projection parameters based on the intermediate features for dynamic adaptation. The dual design enables the model to maintain the robust features of base classes, while adaptively learning distinctive feature shifts for novel classes. Additionally, we develop a class-sensitive selective scan mechanism to guide dynamic adaptation. It minimizes the disruption to base-class representations caused by training on novel data, and meanwhile, forces the selective scan to perform in distinct patterns between base and novel classes. Experiments on miniImageNet, CUB-200, and CIFAR-100 demonstrate that our framework outperforms the existing state-of-the-art methods. The code is available at https://github.com/xiaojieli0903/Mamba-FSCIL.

While prior research has proposed a plethora of methods that build neural classifiers robust against adversarial robustness, practitioners are still reluctant to adopt them due to their unacceptably severe clean accuracy penalties. This paper significantly alleviates this accuracy-robustness trade-off by mixing the output probabilities of a standard classifier and a robust classifier, where the standard network is optimized for clean accuracy and is not robust in general. We show that the robust base classifier's confidence difference for correct and incorrect examples is the key to this improvement. In addition to providing intuitions and empirical evidence, we theoretically certify the robustness of the mixed classifier under realistic assumptions. Furthermore, we adapt an adversarial input detector into a mixing network that adaptively adjusts the mixture of the two base models, further reducing the accuracy penalty of achieving robustness. The proposed flexible method, termed "adaptive smoothing", can work in conjunction with existing or even future methods that improve clean accuracy, robustness, or adversary detection. Our empirical evaluation considers strong attack methods, including AutoAttack and adaptive attack. On the CIFAR-100 dataset, our method achieves an 85.21% clean accuracy while maintaining a 38.72% ell_infty-AutoAttacked (epsilon = 8/255) accuracy, becoming the second most robust method on the RobustBench CIFAR-100 benchmark as of submission, while improving the clean accuracy by ten percentage points compared with all listed models. The code that implements our method is available at https://github.com/Bai-YT/AdaptiveSmoothing.

This paper considers the problem of variable selection allowing for parameter instability. It distinguishes between signal and pseudo-signal variables that are correlated with the target variable, and noise variables that are not, and investigate the asymptotic properties of the One Covariate at a Time Multiple Testing (OCMT) method proposed by Chudik et al. (2018) under parameter insatiability. It is established that OCMT continues to asymptotically select an approximating model that includes all the signals and none of the noise variables. Properties of post selection regressions are also investigated, and in-sample fit of the selected regression is shown to have the oracle property. The theoretical results support the use of unweighted observations at the selection stage of OCMT, whilst applying down-weighting of observations only at the forecasting stage. Monte Carlo and empirical applications show that OCMT without down-weighting at the selection stage yields smaller mean squared forecast errors compared to Lasso, Adaptive Lasso, and boosting.

Robust Fine-Tuning (RFT) is a low-cost strategy to obtain adversarial robustness in downstream applications, without requiring a lot of computational resources and collecting significant amounts of data. This paper uncovers an issue with the existing RFT, where optimizing both adversarial and natural objectives through the feature extractor (FE) yields significantly divergent gradient directions. This divergence introduces instability in the optimization process, thereby hindering the attainment of adversarial robustness and rendering RFT highly sensitive to hyperparameters. To mitigate this issue, we propose a low-rank (LoRa) branch that disentangles RFT into two distinct components: optimizing natural objectives via the LoRa branch and adversarial objectives via the FE. Besides, we introduce heuristic strategies for automating the scheduling of the learning rate and the scalars of loss terms. Extensive empirical evaluations demonstrate that our proposed automated RFT disentangled via the LoRa branch (AutoLoRa) achieves new state-of-the-art results across a range of downstream tasks. AutoLoRa holds significant practical utility, as it automatically converts a pre-trained FE into an adversarially robust model for downstream tasks without the need for searching hyperparameters.

In this paper, we introduce fastHDMI, a Python package designed for efficient variable screening in high-dimensional datasets, particularly neuroimaging data. This work pioneers the application of three mutual information estimation methods for neuroimaging variable selection, a novel approach implemented via fastHDMI. These advancements enhance our ability to analyze the complex structures of neuroimaging datasets, providing improved tools for variable selection in high-dimensional spaces. Using the preprocessed ABIDE dataset, we evaluate the performance of these methods through extensive simulations. The tests cover a range of conditions, including linear and nonlinear associations, as well as continuous and binary outcomes. Our results highlight the superiority of the FFTKDE-based mutual information estimation for feature screening in continuous nonlinear outcomes, while binning-based methods outperform others for binary outcomes with nonlinear probability preimages. For linear simulations, both Pearson correlation and FFTKDE-based methods show comparable performance for continuous outcomes, while Pearson excels in binary outcomes with linear probability preimages. A comprehensive case study using the ABIDE dataset further demonstrates fastHDMI's practical utility, showcasing the predictive power of models built from variables selected using our screening techniques. This research affirms the computational efficiency and methodological strength of fastHDMI, significantly enriching the toolkit available for neuroimaging analysis.

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.

This paper discusses pairing double/debiased machine learning (DDML) with stacking, a model averaging method for combining multiple candidate learners, to estimate structural parameters. In addition to conventional stacking, we consider two stacking variants available for DDML: short-stacking exploits the cross-fitting step of DDML to substantially reduce the computational burden and pooled stacking enforces common stacking weights over cross-fitting folds. Using calibrated simulation studies and two applications estimating gender gaps in citations and wages, we show that DDML with stacking is more robust to partially unknown functional forms than common alternative approaches based on single pre-selected learners. We provide Stata and R software implementing our proposals.

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

Recent research has revealed that high compression of Deep Neural Networks (DNNs), e.g., massive pruning of the weight matrix of a DNN, leads to a severe drop in accuracy and susceptibility to adversarial attacks. Integration of network pruning into an adversarial training framework has been proposed to promote adversarial robustness. It has been observed that a highly pruned weight matrix tends to be ill-conditioned, i.e., increasing the condition number of the weight matrix. This phenomenon aggravates the vulnerability of a DNN to input noise. Although a highly pruned weight matrix is considered to be able to lower the upper bound of the local Lipschitz constant to tolerate large distortion, the ill-conditionedness of such a weight matrix results in a non-robust DNN model. To overcome this challenge, this work develops novel joint constraints to adjust the weight distribution of networks, namely, the Transformed Sparse Constraint joint with Condition Number Constraint (TSCNC), which copes with smoothing distribution and differentiable constraint functions to reduce condition number and thus avoid the ill-conditionedness of weight matrices. Furthermore, our theoretical analyses unveil the relevance between the condition number and the local Lipschitz constant of the weight matrix, namely, the sharply increasing condition number becomes the dominant factor that restricts the robustness of over-sparsified models. Extensive experiments are conducted on several public datasets, and the results show that the proposed constraints significantly improve the robustness of a DNN with high pruning rates.

Deep neural networks that achieve remarkable performance in image classification have previously been shown to be easily fooled by tiny transformations such as a one pixel translation of the input image. In order to address this problem, two approaches have been proposed in recent years. The first approach suggests using huge datasets together with data augmentation in the hope that a highly varied training set will teach the network to learn to be invariant. The second approach suggests using architectural modifications based on sampling theory to deal explicitly with image translations. In this paper, we show that these approaches still fall short in robustly handling 'natural' image translations that simulate a subtle change in camera orientation. Our findings reveal that a mere one-pixel translation can result in a significant change in the predicted image representation for approximately 40% of the test images in state-of-the-art models (e.g. open-CLIP trained on LAION-2B or DINO-v2) , while models that are explicitly constructed to be robust to cyclic translations can still be fooled with 1 pixel realistic (non-cyclic) translations 11% of the time. We present Robust Inference by Crop Selection: a simple method that can be proven to achieve any desired level of consistency, although with a modest tradeoff with the model's accuracy. Importantly, we demonstrate how employing this method reduces the ability to fool state-of-the-art models with a 1 pixel translation to less than 5% while suffering from only a 1% drop in classification accuracy. Additionally, we show that our method can be easy adjusted to deal with circular shifts as well. In such case we achieve 100% robustness to integer shifts with state-of-the-art accuracy, and with no need for any further training.

Adversarial robustness often comes at the cost of degraded accuracy, impeding the real-life application of robust classification models. Training-based solutions for better trade-offs are limited by incompatibilities with already-trained high-performance large models, necessitating the exploration of training-free ensemble approaches. Observing that robust models are more confident in correct predictions than in incorrect ones on clean and adversarial data alike, we speculate amplifying this "benign confidence property" can reconcile accuracy and robustness in an ensemble setting. To achieve so, we propose "MixedNUTS", a training-free method where the output logits of a robust classifier and a standard non-robust classifier are processed by nonlinear transformations with only three parameters, which are optimized through an efficient algorithm. MixedNUTS then converts the transformed logits into probabilities and mixes them as the overall output. On CIFAR-10, CIFAR-100, and ImageNet datasets, experimental results with custom strong adaptive attacks demonstrate MixedNUTS's vastly improved accuracy and near-SOTA robustness -- it boosts CIFAR-100 clean accuracy by 7.86 points, sacrificing merely 0.87 points in robust accuracy.

We consider learning representations (features) in the setting in which we have access to multiple unlabeled views of the data for learning while only one view is available for downstream tasks. Previous work on this problem has proposed several techniques based on deep neural networks, typically involving either autoencoder-like networks with a reconstruction objective or paired feedforward networks with a batch-style correlation-based objective. We analyze several techniques based on prior work, as well as new variants, and compare them empirically on image, speech, and text tasks. We find an advantage for correlation-based representation learning, while the best results on most tasks are obtained with our new variant, deep canonically correlated autoencoders (DCCAE). We also explore a stochastic optimization procedure for minibatch correlation-based objectives and discuss the time/performance trade-offs for kernel-based and neural network-based implementations.

Developing models with robust group fairness properties is paramount, particularly in ethically sensitive domains such as medical diagnosis. Recent approaches to achieving fairness in machine learning require a substantial amount of training data and depend on model retraining, which may not be practical in real-world scenarios. To mitigate these challenges, we propose Bias-based Weight Masking Fine-Tuning (BMFT), a novel post-processing method that enhances the fairness of a trained model in significantly fewer epochs without requiring access to the original training data. BMFT produces a mask over model parameters, which efficiently identifies the weights contributing the most towards biased predictions. Furthermore, we propose a two-step debiasing strategy, wherein the feature extractor undergoes initial fine-tuning on the identified bias-influenced weights, succeeded by a fine-tuning phase on a reinitialised classification layer to uphold discriminative performance. Extensive experiments across four dermatological datasets and two sensitive attributes demonstrate that BMFT outperforms existing state-of-the-art (SOTA) techniques in both diagnostic accuracy and fairness metrics. Our findings underscore the efficacy and robustness of BMFT in advancing fairness across various out-of-distribution (OOD) settings. Our code is available at: https://github.com/vios-s/BMFT

Robust optimization provides a mathematical framework for modeling and solving decision-making problems under worst-case uncertainty. This work addresses two-stage robust optimization (2RO) problems (also called adjustable robust optimization), wherein first-stage and second-stage decisions are made before and after uncertainty is realized, respectively. This results in a nested min-max-min optimization problem which is extremely challenging computationally, especially when the decisions are discrete. We propose Neur2RO, an efficient machine learning-driven instantiation of column-and-constraint generation (CCG), a classical iterative algorithm for 2RO. Specifically, we learn to estimate the value function of the second-stage problem via a novel neural network architecture that is easy to optimize over by design. Embedding our neural network into CCG yields high-quality solutions quickly as evidenced by experiments on two 2RO benchmarks, knapsack and capital budgeting. For knapsack, Neur2RO finds solutions that are within roughly 2% of the best-known values in a few seconds compared to the three hours of the state-of-the-art exact branch-and-price algorithm; for larger and more complex instances, Neur2RO finds even better solutions. For capital budgeting, Neur2RO outperforms three variants of the k-adaptability algorithm, particularly on the largest instances, with a 10 to 100-fold reduction in solution time. Our code and data are available at https://github.com/khalil-research/Neur2RO.

In this paper we develop a dynamic form of Bayesian optimization for machine learning models with the goal of rapidly finding good hyperparameter settings. Our method uses the partial information gained during the training of a machine learning model in order to decide whether to pause training and start a new model, or resume the training of a previously-considered model. We specifically tailor our method to machine learning problems by developing a novel positive-definite covariance kernel to capture a variety of training curves. Furthermore, we develop a Gaussian process prior that scales gracefully with additional temporal observations. Finally, we provide an information-theoretic framework to automate the decision process. Experiments on several common machine learning models show that our approach is extremely effective in practice.

The goal of this paper is to revisit Kernel Principal Component Analysis (KPCA) through dualization of a difference of convex functions. This allows to naturally extend KPCA to multiple objective functions and leads to efficient gradient-based algorithms avoiding the expensive SVD of the Gram matrix. Particularly, we consider objective functions that can be written as Moreau envelopes, demonstrating how to promote robustness and sparsity within the same framework. The proposed method is evaluated on synthetic and real-world benchmarks, showing significant speedup in KPCA training time as well as highlighting the benefits in terms of robustness and sparsity.

Despite the promise of Lipschitz-based methods for provably-robust deep learning with deterministic guarantees, current state-of-the-art results are limited to feed-forward Convolutional Networks (ConvNets) on low-dimensional data, such as CIFAR-10. This paper investigates strategies for expanding certifiably robust training to larger, deeper models. A key challenge in certifying deep networks is efficient calculation of the Lipschitz bound for residual blocks found in ResNet and ViT architectures. We show that fast ways of bounding the Lipschitz constant for conventional ResNets are loose, and show how to address this by designing a new residual block, leading to the Linear ResNet (LiResNet) architecture. We then introduce Efficient Margin MAximization (EMMA), a loss function that stabilizes robust training by simultaneously penalizing worst-case adversarial examples from all classes. Together, these contributions yield new state-of-the-art robust accuracy on CIFAR-10/100 and Tiny-ImageNet under ell_2 perturbations. Moreover, for the first time, we are able to scale up fast deterministic robustness guarantees to ImageNet, demonstrating that this approach to robust learning can be applied to real-world applications. We release our code on Github: https://github.com/klasleino/gloro.

The phenomenon of adversarial examples illustrates one of the most basic vulnerabilities of deep neural networks. Among the variety of techniques introduced to surmount this inherent weakness, adversarial training has emerged as the most effective strategy for learning robust models. Typically, this is achieved by balancing robust and natural objectives. In this work, we aim to further optimize the trade-off between robust and standard accuracy by enforcing a domain-invariant feature representation. We present a new adversarial training method, Domain Invariant Adversarial Learning (DIAL), which learns a feature representation that is both robust and domain invariant. DIAL uses a variant of Domain Adversarial Neural Network (DANN) on the natural domain and its corresponding adversarial domain. In the case where the source domain consists of natural examples and the target domain is the adversarially perturbed examples, our method learns a feature representation constrained not to discriminate between the natural and adversarial examples, and can therefore achieve a more robust representation. DIAL is a generic and modular technique that can be easily incorporated into any adversarial training method. Our experiments indicate that incorporating DIAL in the adversarial training process improves both robustness and standard accuracy.

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