Masashi Sugiyama

Jianing Zhu, Geng Yu, Jiangchao Yao et al.

Out-of-distribution (OOD) detection is important for deploying reliable machine learning models on real-world applications. Recent advances in outlier exposure have shown promising results on OOD detection via fine-tuning model with informatively sampled auxiliary outliers. However, previous methods assume that the collected outliers can be sufficiently large and representative to cover the boundary between ID and OOD data, which might be impractical and challenging. In this work, we propose a novel framework, namely, Diversified Outlier Exposure (DivOE), for effective OOD detection via informative extrapolation based on the given auxiliary outliers. Specifically, DivOE introduces a new learning objective, which diversifies the auxiliary distribution by explicitly synthesizing more informative outliers for extrapolation during training. It leverages a multi-step optimization method to generate novel outliers beyond the original ones, which is compatible with many variants of outlier exposure. Extensive experiments and analyses have been conducted to characterize and demonstrate the effectiveness of the proposed DivOE. The code is publicly available at: https://github.com/tmlr-group/DivOE.

Nan Lu, Zhao Wang, Xiaoxiao Li et al.

Supervised federated learning (FL) enables multiple clients to share the trained model without sharing their labeled data. However, potential clients might even be reluctant to label their own data, which could limit the applicability of FL in practice. In this paper, we show the possibility of unsupervised FL whose model is still a classifier for predicting class labels, if the class-prior probabilities are shifted while the class-conditional distributions are shared among the unlabeled data owned by the clients. We propose federation of unsupervised learning (FedUL), where the unlabeled data are transformed into surrogate labeled data for each of the clients, a modified model is trained by supervised FL, and the wanted model is recovered from the modified model. FedUL is a very general solution to unsupervised FL: it is compatible with many supervised FL methods, and the recovery of the wanted model can be theoretically guaranteed as if the data have been labeled. Experiments on benchmark and real-world datasets demonstrate the effectiveness of FedUL. Code is available at https://github.com/lunanbit/FedUL.

Xilie Xu, Jingfeng Zhang, Feng Liu et al.

Adversarial contrastive learning (ACL) does not require expensive data annotations but outputs a robust representation that withstands adversarial attacks and also generalizes to a wide range of downstream tasks. However, ACL needs tremendous running time to generate the adversarial variants of all training data, which limits its scalability to large datasets. To speed up ACL, this paper proposes a robustness-aware coreset selection (RCS) method. RCS does not require label information and searches for an informative subset that minimizes a representational divergence, which is the distance of the representation between natural data and their virtual adversarial variants. The vanilla solution of RCS via traversing all possible subsets is computationally prohibitive. Therefore, we theoretically transform RCS into a surrogate problem of submodular maximization, of which the greedy search is an efficient solution with an optimality guarantee for the original problem. Empirically, our comprehensive results corroborate that RCS can speed up ACL by a large margin without significantly hurting the robustness transferability. Notably, to the best of our knowledge, we are the first to conduct ACL efficiently on the large-scale ImageNet-1K dataset to obtain an effective robust representation via RCS. Our source code is at https://github.com/GodXuxilie/Efficient_ACL_via_RCS.

Xilie Xu, Jingfeng Zhang, Feng Liu et al.

Adversarial contrastive learning (ACL) is a technique that enhances standard contrastive learning (SCL) by incorporating adversarial data to learn a robust representation that can withstand adversarial attacks and common corruptions without requiring costly annotations. To improve transferability, the existing work introduced the standard invariant regularization (SIR) to impose style-independence property to SCL, which can exempt the impact of nuisance style factors in the standard representation. However, it is unclear how the style-independence property benefits ACL-learned robust representations. In this paper, we leverage the technique of causal reasoning to interpret the ACL and propose adversarial invariant regularization (AIR) to enforce independence from style factors. We regulate the ACL using both SIR and AIR to output the robust representation. Theoretically, we show that AIR implicitly encourages the representational distance between different views of natural data and their adversarial variants to be independent of style factors. Empirically, our experimental results show that invariant regularization significantly improves the performance of state-of-the-art ACL methods in terms of both standard generalization and robustness on downstream tasks. To the best of our knowledge, we are the first to apply causal reasoning to interpret ACL and develop AIR for enhancing ACL-learned robust representations. Our source code is at https://github.com/GodXuxilie/Enhancing_ACL_via_AIR.

Penghui Yang, Ming-Kun Xie, Chen-Chen Zong et al.

Existing knowledge distillation methods typically work by imparting the knowledge of output logits or intermediate feature maps from the teacher network to the student network, which is very successful in multi-class single-label learning. However, these methods can hardly be extended to the multi-label learning scenario, where each instance is associated with multiple semantic labels, because the prediction probabilities do not sum to one and feature maps of the whole example may ignore minor classes in such a scenario. In this paper, we propose a novel multi-label knowledge distillation method. On one hand, it exploits the informative semantic knowledge from the logits by dividing the multi-label learning problem into a set of binary classification problems; on the other hand, it enhances the distinctiveness of the learned feature representations by leveraging the structural information of label-wise embeddings. Experimental results on multiple benchmark datasets validate that the proposed method can avoid knowledge counteraction among labels, thus achieving superior performance against diverse comparing methods. Our code is available at: https://github.com/penghui-yang/L2D

Jianan Zhou, Jianing Zhu, Jingfeng Zhang et al.

Adversarial training (AT) with imperfect supervision is significant but receives limited attention. To push AT towards more practical scenarios, we explore a brand new yet challenging setting, i.e., AT with complementary labels (CLs), which specify a class that a data sample does not belong to. However, the direct combination of AT with existing methods for CLs results in consistent failure, but not on a simple baseline of two-stage training. In this paper, we further explore the phenomenon and identify the underlying challenges of AT with CLs as intractable adversarial optimization and low-quality adversarial examples. To address the above problems, we propose a new learning strategy using gradually informative attacks, which consists of two critical components: 1) Warm-up Attack (Warm-up) gently raises the adversarial perturbation budgets to ease the adversarial optimization with CLs; 2) Pseudo-Label Attack (PLA) incorporates the progressively informative model predictions into a corrected complementary loss. Extensive experiments are conducted to demonstrate the effectiveness of our method on a range of benchmarked datasets. The code is publicly available at: https://github.com/RoyalSkye/ATCL.

De Cheng, Tongliang Liu, Yixiong Ning et al.

In label-noise learning, estimating the transition matrix has attracted more and more attention as the matrix plays an important role in building statistically consistent classifiers. However, it is very challenging to estimate the transition matrix T(x), where x denotes the instance, because it is unidentifiable under the instance-dependent noise(IDN). To address this problem, we have noticed that, there are psychological and physiological evidences showing that we humans are more likely to annotate instances of similar appearances to the same classes, and thus poor-quality or ambiguous instances of similar appearances are easier to be mislabeled to the correlated or same noisy classes. Therefore, we propose assumption on the geometry of T(x) that "the closer two instances are, the more similar their corresponding transition matrices should be". More specifically, we formulate above assumption into the manifold embedding, to effectively reduce the degree of freedom of T(x) and make it stably estimable in practice. The proposed manifold-regularized technique works by directly reducing the estimation error without hurting the approximation error about the estimation problem of T(x). Experimental evaluations on four synthetic and two real-world datasets demonstrate that our method is superior to state-of-the-art approaches for label-noise learning under the challenging IDN.

Yong Bai, Yu-Jie Zhang, Peng Zhao et al.

The standard supervised learning paradigm works effectively when training data shares the same distribution as the upcoming testing samples. However, this stationary assumption is often violated in real-world applications, especially when testing data appear in an online fashion. In this paper, we formulate and investigate the problem of \emph{online label shift} (OLaS): the learner trains an initial model from the labeled offline data and then deploys it to an unlabeled online environment where the underlying label distribution changes over time but the label-conditional density does not. The non-stationarity nature and the lack of supervision make the problem challenging to be tackled. To address the difficulty, we construct a new unbiased risk estimator that utilizes the unlabeled data, which exhibits many benign properties albeit with potential non-convexity. Building upon that, we propose novel online ensemble algorithms to deal with the non-stationarity of the environments. Our approach enjoys optimal \emph{dynamic regret}, indicating that the performance is competitive with a clairvoyant who knows the online environments in hindsight and then chooses the best decision for each round. The obtained dynamic regret bound scales with the intensity and pattern of label distribution shift, hence exhibiting the adaptivity in the OLaS problem. Extensive experiments are conducted to validate the effectiveness and support our theoretical findings.

Hao Chen, Jindong Wang, Ankit Shah et al.

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

Isao Ishikawa, Takeshi Teshima, Koichi Tojo et al.

Invertible neural networks (INNs) are neural network architectures with invertibility by design. Thanks to their invertibility and the tractability of Jacobian, INNs have various machine learning applications such as probabilistic modeling, generative modeling, and representation learning. However, their attractive properties often come at the cost of restricting the layer designs, which poses a question on their representation power: can we use these models to approximate sufficiently diverse functions? To answer this question, we have developed a general theoretical framework to investigate the representation power of INNs, building on a structure theorem of differential geometry. The framework simplifies the approximation problem of diffeomorphisms, which enables us to show the universal approximation properties of INNs. We apply the framework to two representative classes of INNs, namely Coupling-Flow-based INNs (CF-INNs) and Neural Ordinary Differential Equations (NODEs), and elucidate their high representation power despite the restrictions on their architectures.

Jialiang Tang, Shuo Chen, Gang Niu et al.

Knowledge distillation aims to learn a lightweight student network from a pre-trained teacher network. In practice, existing knowledge distillation methods are usually infeasible when the original training data is unavailable due to some privacy issues and data management considerations. Therefore, data-free knowledge distillation approaches proposed to collect training instances from the Internet. However, most of them have ignored the common distribution shift between the instances from original training data and webly collected data, affecting the reliability of the trained student network. To solve this problem, we propose a novel method dubbed ``Knowledge Distillation between Different Distributions" (KD$^{3}$), which consists of three components. Specifically, we first dynamically select useful training instances from the webly collected data according to the combined predictions of teacher network and student network. Subsequently, we align both the weighted features and classifier parameters of the two networks for knowledge memorization. Meanwhile, we also build a new contrastive learning block called MixDistribution to generate perturbed data with a new distribution for instance alignment, so that the student network can further learn a distribution-invariant representation. Intensive experiments on various benchmark datasets demonstrate that our proposed KD$^{3}$ can outperform the state-of-the-art data-free knowledge distillation approaches.

Yu-Jie Zhang, Zhen-Yu Zhang, Peng Zhao et al.

Dealing with distribution shifts is one of the central challenges for modern machine learning. One fundamental situation is the covariate shift, where the input distributions of data change from training to testing stages while the input-conditional output distribution remains unchanged. In this paper, we initiate the study of a more challenging scenario -- continuous covariate shift -- in which the test data appear sequentially, and their distributions can shift continuously. Our goal is to adaptively train the predictor such that its prediction risk accumulated over time can be minimized. Starting with the importance-weighted learning, we show the method works effectively if the time-varying density ratios of test and train inputs can be accurately estimated. However, existing density ratio estimation methods would fail due to data scarcity at each time step. To this end, we propose an online method that can appropriately reuse historical information. Our density ratio estimation method is proven to perform well by enjoying a dynamic regret bound, which finally leads to an excess risk guarantee for the predictor. Empirical results also validate the effectiveness.

Wei Wang, Lei Feng, Yuchen Jiang et al.

Recently, learning with soft labels has been shown to achieve better performance than learning with hard labels in terms of model generalization, calibration, and robustness. However, collecting pointwise labeling confidence for all training examples can be challenging and time-consuming in real-world scenarios. This paper delves into a novel weakly supervised binary classification problem called confidence-difference (ConfDiff) classification. Instead of pointwise labeling confidence, we are given only unlabeled data pairs with confidence difference that specifies the difference in the probabilities of being positive. We propose a risk-consistent approach to tackle this problem and show that the estimation error bound achieves the optimal convergence rate. We also introduce a risk correction approach to mitigate overfitting problems, whose consistency and convergence rate are also proven. Extensive experiments on benchmark data sets and a real-world recommender system data set validate the effectiveness of our proposed approaches in exploiting the supervision information of the confidence difference.

Wei Wang, Takashi Ishida, Yu-Jie Zhang et al.

Complementary-label learning is a weakly supervised learning problem in which each training example is associated with one or multiple complementary labels indicating the classes to which it does not belong. Existing consistent approaches have relied on the uniform distribution assumption to model the generation of complementary labels, or on an ordinary-label training set to estimate the transition matrix in non-uniform cases. However, either condition may not be satisfied in real-world scenarios. In this paper, we propose a novel consistent approach that does not rely on these conditions. Inspired by the positive-unlabeled (PU) learning literature, we propose an unbiased risk estimator based on the Selected-Completely-at-Random assumption for complementary-label learning. We then introduce a risk-correction approach to address overfitting problems. Furthermore, we find that complementary-label learning can be expressed as a set of negative-unlabeled binary classification problems when using the one-versus-rest strategy. Extensive experimental results on both synthetic and real-world benchmark datasets validate the superiority of our proposed approach over state-of-the-art methods.

Jiaheng Wei, Zhaowei Zhu, Gang Niu et al.

Both long-tailed and noisily labeled data frequently appear in real-world applications and impose significant challenges for learning. Most prior works treat either problem in an isolated way and do not explicitly consider the coupling effects of the two. Our empirical observation reveals that such solutions fail to consistently improve the learning when the dataset is long-tailed with label noise. Moreover, with the presence of label noise, existing methods do not observe universal improvements across different sub-populations; in other words, some sub-populations enjoyed the benefits of improved accuracy at the cost of hurting others. Based on these observations, we introduce the Fairness Regularizer (FR), inspired by regularizing the performance gap between any two sub-populations. We show that the introduced fairness regularizer improves the performances of sub-populations on the tail and the overall learning performance. Extensive experiments demonstrate the effectiveness of the proposed solution when complemented with certain existing popular robust or class-balanced methods.

Fang Wu, Weihao Xuan, Heli Qi et al.

Deep learning in \emph{de novo} protein design has achieved atomic-level fidelity. However, existing models remain largely non-deliberative: they directly synthesize molecular geometries without explicitly reasoning about which residues or interactions are functionally essential. As a result, design decisions are entangled with continuous sampling dynamics, limiting interpretability, controllability, and systematic reuse of biochemical knowledge. We introduce \textbf{Proteo-R1}, a reasoning-guided protein design framework that explicitly decouples \emph{molecular understanding} from \emph{geometric generation}. Proteo-R1 adopts a dual-expert architecture in which a multimodal large language model (MLLM) serves as an \emph{understanding expert}, analyzing protein sequences, structures, and textual context to identify key functional residues that govern binding and specificity. These residue-level decisions are then passed as hard constraints to a separate diffusion-based \emph{generation expert}, which performs conditional co-design while respecting the fixed interaction anchors. This factorization mirrors how human experts approach molecular engineering: first, reasoning about critical interactions, then optimizing geometry subject to those constraints. By operationalizing reasoning as explicit residue-level commitments rather than latent textual guidance, Proteo-R1 achieves stable, interpretable, and modular integration of LLM reasoning with state-of-the-art geometric generative models. Code, data, and demos are available at https://smiles724.github.io/r1/.

Chao-Kai Chiang, Masashi Sugiyama

Among the flourishing research of weakly supervised learning (WSL), we recognize the lack of a unified interpretation of the mechanism behind the weakly supervised scenarios, let alone a systematic treatment of the risk rewrite problem, a crucial step in the empirical risk minimization approach. In this paper, we introduce a framework providing a comprehensive understanding and a unified methodology for WSL. The formulation component of the framework, leveraging a contamination perspective, provides a unified interpretation of how weak supervision is formed and subsumes fifteen existing WSL settings. The induced reduction graphs offer comprehensive connections over WSLs. The analysis component of the framework, viewed as a decontamination process, provides a systematic method of conducting risk rewrite. In addition to the conventional inverse matrix approach, we devise a novel strategy called marginal chain aiming to decontaminate distributions. We justify the feasibility of the proposed framework by recovering existing rewrites reported in the literature.

Shintaro Nakamura, Masashi Sugiyama

We study the real-valued combinatorial pure exploration of the multi-armed bandit (R-CPE-MAB) problem. In R-CPE-MAB, a player is given $d$ stochastic arms, and the reward of each arm $s\in\{1, \ldots, d\}$ follows an unknown distribution with mean $μ_s$. In each time step, a player pulls a single arm and observes its reward. The player's goal is to identify the optimal \emph{action} $\boldsymbolπ^{*} = \argmax_{\boldsymbolπ \in \mathcal{A}} \boldsymbolμ^{\top}\boldsymbolπ$ from a finite-sized real-valued \emph{action set} $\mathcal{A}\subset \mathbb{R}^{d}$ with as few arm pulls as possible. Previous methods in the R-CPE-MAB assume that the size of the action set $\mathcal{A}$ is polynomial in $d$. We introduce an algorithm named the Generalized Thompson Sampling Explore (GenTS-Explore) algorithm, which is the first algorithm that can work even when the size of the action set is exponentially large in $d$. We also introduce a novel problem-dependent sample complexity lower bound of the R-CPE-MAB problem, and show that the GenTS-Explore algorithm achieves the optimal sample complexity up to a problem-dependent constant factor.

Ruijiang Dong, Feng Liu, Haoang Chi et al.

Generating unlabeled data has been recently shown to help address the few-shot hypothesis adaptation (FHA) problem, where we aim to train a classifier for the target domain with a few labeled target-domain data and a well-trained source-domain classifier (i.e., a source hypothesis), for the additional information of the highly-compatible unlabeled data. However, the generated data of the existing methods are extremely similar or even the same. The strong dependency among the generated data will lead the learning to fail. In this paper, we propose a diversity-enhancing generative network (DEG-Net) for the FHA problem, which can generate diverse unlabeled data with the help of a kernel independence measure: the Hilbert-Schmidt independence criterion (HSIC). Specifically, DEG-Net will generate data via minimizing the HSIC value (i.e., maximizing the independence) among the semantic features of the generated data. By DEG-Net, the generated unlabeled data are more diverse and more effective for addressing the FHA problem. Experimental results show that the DEG-Net outperforms existing FHA baselines and further verifies that generating diverse data plays a vital role in addressing the FHA problem

Salah Ghamizi, Jingfeng Zhang, Maxime Cordy et al.

While leveraging additional training data is well established to improve adversarial robustness, it incurs the unavoidable cost of data collection and the heavy computation to train models. To mitigate the costs, we propose Guided Adversarial Training (GAT), a novel adversarial training technique that exploits auxiliary tasks under a limited set of training data. Our approach extends single-task models into multi-task models during the min-max optimization of adversarial training, and drives the loss optimization with a regularization of the gradient curvature across multiple tasks. GAT leverages two types of auxiliary tasks: self-supervised tasks, where the labels are generated automatically, and domain-knowledge tasks, where human experts provide additional labels. Experimentally, GAT increases the robust AUC of CheXpert medical imaging dataset from 50% to 83% and On CIFAR-10, GAT outperforms eight state-of-the-art adversarial training and achieves 56.21% robust accuracy with Resnet-50. Overall, we demonstrate that guided multi-task learning is an actionable and promising avenue to push further the boundaries of model robustness.

Yuting Tang, Nan Lu, Tianyi Zhang et al.

Recent years have witnessed a great success of supervised deep learning, where predictive models were trained from a large amount of fully labeled data. However, in practice, labeling such big data can be very costly and may not even be possible for privacy reasons. Therefore, in this paper, we aim to learn an accurate classifier without any class labels. More specifically, we consider the case where multiple sets of unlabeled data and only their class priors, i.e., the proportions of each class, are available. Under this problem setup, we first derive an unbiased estimator of the classification risk that can be estimated from the given unlabeled sets and theoretically analyze the generalization error of the learned classifier. We then find that the classifier obtained as such tends to cause overfitting as its empirical risks go negative during training. To prevent overfitting, we further propose a partial risk regularization that maintains the partial risks with respect to unlabeled datasets and classes to certain levels. Experiments demonstrate that our method effectively mitigates overfitting and outperforms state-of-the-art methods for learning from multiple unlabeled sets.

Charles Riou, Junya Honda, Masashi Sugiyama

We introduce and study a new variant of the multi-armed bandit problem (MAB), called the survival bandit problem (S-MAB). While in both problems, the objective is to maximize the so-called cumulative reward, in this new variant, the procedure is interrupted if the cumulative reward falls below a preset threshold. This simple yet unexplored extension of the MAB follows from many practical applications. For example, when testing two medicines against each other on voluntary patients, people's health are at stake, and it is necessary to be able to interrupt experiments if serious side effects occur or if the disease syndromes are not dissipated by the treatment. From a theoretical perspective, the S-MAB is the first variant of the MAB where the procedure may or may not be interrupted. We start by formalizing the S-MAB and we define its objective as the minimization of the so-called survival regret, which naturally generalizes the regret of the MAB. Then, we show that the objective of the S-MAB is considerably more difficult than the MAB, in the sense that contrary to the MAB, no policy can achieve a reasonably small (i.e., sublinear) survival regret. Instead, we minimize the survival regret in the sense of Pareto, i.e., we seek a policy whose cumulative reward cannot be improved for some problem instance without being sacrificed for another one. For that purpose, we identify two key components in the survival regret: the regret given no ruin (which corresponds to the regret in the MAB), and the probability that the procedure is interrupted, called the probability of ruin. We derive a lower bound on the probability of ruin, as well as policies whose probability of ruin matches the lower bound. Finally, based on a doubling trick on those policies, we derive a policy which minimizes the survival regret in the sense of Pareto, giving an answer to an open problem by Perotto et al. (COLT 2019).

Shintaro Nakamura, Masashi Sugiyama

We study the real-valued combinatorial pure exploration problem in the stochastic multi-armed bandit (R-CPE-MAB). We study the case where the size of the action set is polynomial with respect to the number of arms. In such a case, the R-CPE-MAB can be seen as a special case of the so-called transductive linear bandits. We introduce an algorithm named the combinatorial gap-based exploration (CombGapE) algorithm, whose sample complexity upper bound matches the lower bound up to a problem-dependent constant factor. We numerically show that the CombGapE algorithm outperforms existing methods significantly in both synthetic and real-world datasets.

Jongyeong Lee, Junya Honda, Chao-Kai Chiang et al.

In the stochastic multi-armed bandit problem, a randomized probability matching policy called Thompson sampling (TS) has shown excellent performance in various reward models. In addition to the empirical performance, TS has been shown to achieve asymptotic problem-dependent lower bounds in several models. However, its optimality has been mainly addressed under light-tailed or one-parameter models that belong to exponential families. In this paper, we consider the optimality of TS for the Pareto model that has a heavy tail and is parameterized by two unknown parameters. Specifically, we discuss the optimality of TS with probability matching priors that include the Jeffreys prior and the reference priors. We first prove that TS with certain probability matching priors can achieve the optimal regret bound. Then, we show the suboptimality of TS with other priors, including the Jeffreys and the reference priors. Nevertheless, we find that TS with the Jeffreys and reference priors can achieve the asymptotic lower bound if one uses a truncation procedure. These results suggest carefully choosing noninformative priors to avoid suboptimality and show the effectiveness of truncation procedures in TS-based policies.

Tingting Zhao, Ying Wang, Wei Sun et al.

Deep reinforcement learning (DRL) breaks through the bottlenecks of traditional reinforcement learning (RL) with the help of the perception capability of deep learning and has been widely applied in real-world problems.While model-free RL, as a class of efficient DRL methods, performs the learning of state representations simultaneously with policy learning in an end-to-end manner when facing large-scale continuous state and action spaces. However, training such a large policy model requires a large number of trajectory samples and training time. On the other hand, the learned policy often fails to generalize to large-scale action spaces, especially for the continuous action spaces. To address this issue, in this paper we propose an efficient policy learning method in latent state and action spaces. More specifically, we extend the idea of state representations to action representations for better policy generalization capability. Meanwhile, we divide the whole learning task into learning with the large-scale representation models in an unsupervised manner and learning with the small-scale policy model in the RL manner.The small policy model facilitates policy learning, while not sacrificing generalization and expressiveness via the large representation model. Finally,the effectiveness of the proposed method is demonstrated by MountainCar,CarRacing and Cheetah experiments.

Wentao Yu, Shuo Chen, Chen Gong et al.

Recently, Graph Transformer (GT) models have been widely used in the task of Molecular Property Prediction (MPP) due to their high reliability in characterizing the latent relationship among graph nodes (i.e., the atoms in a molecule). However, most existing GT-based methods usually explore the basic interactions between pairwise atoms, and thus they fail to consider the important interactions among critical motifs (e.g., functional groups consisted of several atoms) of molecules. As motifs in a molecule are significant patterns that are of great importance for determining molecular properties (e.g., toxicity and solubility), overlooking motif interactions inevitably hinders the effectiveness of MPP. To address this issue, we propose a novel Atom-Motif Contrastive Transformer (AMCT), which not only explores the atom-level interactions but also considers the motif-level interactions. Since the representations of atoms and motifs for a given molecule are actually two different views of the same instance, they are naturally aligned to generate the self-supervisory signals for model training. Meanwhile, the same motif can exist in different molecules, and hence we also employ the contrastive loss to maximize the representation agreement of identical motifs across different molecules. Finally, in order to clearly identify the motifs that are critical in deciding the properties of each molecule, we further construct a property-aware attention mechanism into our learning framework. Our proposed AMCT is extensively evaluated on seven popular benchmark datasets, and both quantitative and qualitative results firmly demonstrate its effectiveness when compared with the state-of-the-art methods.

Yuhao Wu, Xiaobo Xia, Jun Yu et al.

Training a classifier exploiting a huge amount of supervised data is expensive or even prohibited in a situation, where the labeling cost is high. The remarkable progress in working with weaker forms of supervision is binary classification from multiple unlabeled datasets which requires the knowledge of exact class priors for all unlabeled datasets. However, the availability of class priors is restrictive in many real-world scenarios. To address this issue, we propose to solve a new problem setting, i.e., binary classification from multiple unlabeled datasets with only one pairwise numerical relationship of class priors (MU-OPPO), which knows the relative order (which unlabeled dataset has a higher proportion of positive examples) of two class-prior probabilities for two datasets among multiple unlabeled datasets. In MU-OPPO, we do not need the class priors for all unlabeled datasets, but we only require that there exists a pair of unlabeled datasets for which we know which unlabeled dataset has a larger class prior. Clearly, this form of supervision is easier to be obtained, which can make labeling costs almost free. We propose a novel framework to handle the MU-OPPO problem, which consists of four sequential modules: (i) pseudo label assignment; (ii) confident example collection; (iii) class prior estimation; (iv) classifier training with estimated class priors. Theoretically, we analyze the gap between estimated class priors and true class priors under the proposed framework. Empirically, we confirm the superiority of our framework with comprehensive experiments. Experimental results demonstrate that our framework brings smaller estimation errors of class priors and better performance of binary classification.

Yivan Zhang, Jindong Wang, Xing Xie et al.

Machine learning systems may encounter unexpected problems when the data distribution changes in the deployment environment. A major reason is that certain combinations of domains and labels are not observed during training but appear in the test environment. Although various invariance-based algorithms can be applied, we find that the performance gain is often marginal. To formally analyze this issue, we provide a unique algebraic formulation of the combination shift problem based on the concepts of homomorphism, equivariance, and a refined definition of disentanglement. The algebraic requirements naturally derive a simple yet effective method, referred to as equivariant disentangled transformation (EDT), which augments the data based on the algebraic structures of labels and makes the transformation satisfy the equivariance and disentanglement requirements. Experimental results demonstrate that invariance may be insufficient, and it is important to exploit the equivariance structure in the combination shift problem.

Futoshi Futami, Tomoharu Iwata, Naonori Ueda et al.

Bayesian deep learning plays an important role especially for its ability evaluating epistemic uncertainty (EU). Due to computational complexity issues, approximation methods such as variational inference (VI) have been used in practice to obtain posterior distributions and their generalization abilities have been analyzed extensively, for example, by PAC-Bayesian theory; however, little analysis exists on EU, although many numerical experiments have been conducted on it. In this study, we analyze the EU of supervised learning in approximate Bayesian inference by focusing on its excess risk. First, we theoretically show the novel relations between generalization error and the widely used EU measurements, such as the variance and mutual information of predictive distribution, and derive their convergence behaviors. Next, we clarify how the objective function of VI regularizes the EU. With this analysis, we propose a new objective function for VI that directly controls the prediction performance and the EU based on the PAC-Bayesian theory. Numerical experiments show that our algorithm significantly improves the EU evaluation over the existing VI methods.

Jongyeong Lee, Chao-Kai Chiang, Masashi Sugiyama

Thompson sampling (TS) has been known for its outstanding empirical performance supported by theoretical guarantees across various reward models in the classical stochastic multi-armed bandit problems. Nonetheless, its optimality is often restricted to specific priors due to the common observation that TS is fairly insensitive to the choice of the prior when it comes to asymptotic regret bounds. However, when the model contains multiple parameters, the optimality of TS highly depends on the choice of priors, which casts doubt on the generalizability of previous findings to other models. To address this gap, this study explores the impact of selecting noninformative priors, offering insights into the performance of TS when dealing with new models that lack theoretical understanding. We first extend the regret analysis of TS to the model of uniform distributions with unknown supports, which would be the simplest non-regular model. Our findings reveal that changing noninformative priors can significantly affect the expected regret, aligning with previously known results in other multiparameter bandit models. Although the uniform prior is shown to be optimal, we highlight the inherent limitation of its optimality, which is limited to specific parameterizations and emphasizes the significance of the invariance property of priors. In light of this limitation, we propose a slightly modified TS-based policy, called TS with Truncation (TS-T), which can achieve the asymptotic optimality for the Gaussian models and the uniform models by using the reference prior and the Jeffreys prior that are invariant under one-to-one reparameterizations. This policy provides an alternative approach to achieving optimality by employing fine-tuned truncation, which would be much easier than hunting for optimal priors in practice.

Shintaro Nakamura, Han Bao, Masashi Sugiyama

Optimal transport (OT) has become a widely used tool in the machine learning field to measure the discrepancy between probability distributions. For instance, OT is a popular loss function that quantifies the discrepancy between an empirical distribution and a parametric model. Recently, an entropic penalty term and the celebrated Sinkhorn algorithm have been commonly used to approximate the original OT in a computationally efficient way. However, since the Sinkhorn algorithm runs a projection associated with the Kullback-Leibler divergence, it is often vulnerable to outliers. To overcome this problem, we propose regularizing OT with the β-potential term associated with the so-called $β$-divergence, which was developed in robust statistics. Our theoretical analysis reveals that the $β$-potential can prevent the mass from being transported to outliers. We experimentally demonstrate that the transport matrix computed with our algorithm helps estimate a probability distribution robustly even in the presence of outliers. In addition, our proposed method can successfully detect outliers from a contaminated dataset

Jongyeong Lee, Junya Honda, Masashi Sugiyama

This paper studies the fixed-confidence best arm identification (BAI) problem in the bandit framework in the canonical single-parameter exponential models. For this problem, many policies have been proposed, but most of them require solving an optimization problem at every round and/or are forced to explore an arm at least a certain number of times except those restricted to the Gaussian model. To address these limitations, we propose a novel policy that combines Thompson sampling with a computationally efficient approach known as the best challenger rule. While Thompson sampling was originally considered for maximizing the cumulative reward, we demonstrate that it can be used to naturally explore arms in BAI without forcing it. We show that our policy is asymptotically optimal for any two-armed bandit problems and achieves near optimality for general $K$-armed bandit problems for $K\geq 3$. Nevertheless, in numerical experiments, our policy shows competitive performance compared to asymptotically optimal policies in terms of sample complexity while requiring less computation cost. In addition, we highlight the advantages of our policy by comparing it to the concept of $β$-optimality, a relaxed notion of asymptotic optimality commonly considered in the analysis of a class of policies including the proposed one.

Jia-Hao Xiao, Ming-Kun Xie, Heng-Bo Fan et al.

Semi-supervised multi-label learning (SSMLL) is a powerful framework for leveraging unlabeled data to reduce the expensive cost of collecting precise multi-label annotations. Unlike semi-supervised learning, one cannot select the most probable label as the pseudo-label in SSMLL due to multiple semantics contained in an instance. To solve this problem, the mainstream method developed an effective thresholding strategy to generate accurate pseudo-labels. Unfortunately, the method neglected the quality of model predictions and its potential impact on pseudo-labeling performance. In this paper, we propose a dual-perspective method to generate high-quality pseudo-labels. To improve the quality of model predictions, we perform dual-decoupling to boost the learning of correlative and discriminative features, while refining the generation and utilization of pseudo-labels. To obtain proper class-wise thresholds, we propose the metric-adaptive thresholding strategy to estimate the thresholds, which maximize the pseudo-label performance for a given metric on labeled data. Experiments on multiple benchmark datasets show the proposed method can achieve the state-of-the-art performance and outperform the comparative methods with a significant margin.

Jie Xu, Na Zhao, Gang Niu et al.

Recently, multi-view learning (MVL) has garnered significant attention due to its ability to fuse discriminative information from multiple views. However, real-world multi-view datasets are often heterogeneous and imperfect, which usually causes MVL methods designed for specific combinations of views to lack application potential and limits their effectiveness. To address this issue, we propose a novel robust MVL method (namely RML) with simultaneous representation fusion and alignment. Specifically, we introduce a simple yet effective multi-view transformer fusion network where we transform heterogeneous multi-view data into homogeneous word embeddings, and then integrate multiple views by the sample-level attention mechanism to obtain a fused representation. Furthermore, we propose a simulated perturbation based multi-view contrastive learning framework that dynamically generates the noise and unusable perturbations for simulating imperfect data conditions. The simulated noisy and unusable data obtain two distinct fused representations, and we utilize contrastive learning to align them for learning discriminative and robust representations. Our RML is self-supervised and can also be applied for downstream tasks as a regularization. In experiments, we employ it in multi-view unsupervised clustering, noise-label classification, and as a plug-and-play module for cross-modal hashing retrieval. Extensive comparison experiments and ablation studies validate RML's effectiveness. Code is available at https://github.com/SubmissionsIn/RML.

Zhanke Zhou, Chentao Cao, Xiao Feng et al.

We present AlphaApollo, a self-evolving agentic reasoning system that aims to address two bottlenecks in foundation model (FM) reasoning-limited model-intrinsic capacity and unreliable test-time iteration. AlphaApollo orchestrates multiple models with professional tools to enable deliberate, verifiable reasoning. It couples (i) a computation tool (Python with numerical and symbolic libraries) and (ii) a retrieval tool (task-relevant external information) to execute exact calculations and ground decisions. The system further supports multi-round, multi-model solution evolution via a shared state map that records candidates, executable checks, and feedback for iterative refinement. In evaluations on AIME 2024/2025 across multiple models, AlphaApollo delivers consistent gains: +5.15% Average@32 and +23.34% Pass@32 for Qwen2.5-14B-Instruct, and +8.91% Average@32 with +26.67% Pass@32 for Llama-3.3-70B-Instruct. Tool-use analysis shows that more than 80% of tool calls are successfully executed, with consistent outperformance of non-tool baselines, thereby lifting the capability ceiling of FMs. More empirical results and implementation details will be updated at https://github.com/tmlr-group/AlphaApollo.

Ming-Kun Xie, Jia-Hao Xiao, Gang Niu et al.

Large Vision-Language Models (LVLMs), empowered by the success of Large Language Models (LLMs), have achieved impressive performance across domains. Despite the great advances in LVLMs, they still suffer from the unavailable object hallucination issue, which tends to generate objects inconsistent with the image content. The most commonly used Polling-based Object Probing Evaluation (POPE) benchmark evaluates this issue by sampling negative categories according to category-level statistics, \textit{e.g.}, category frequencies and co-occurrence. However, with the continuous advancement of LVLMs, the POPE benchmark has shown diminishing effectiveness in assessing object hallucination, as it employs a simplistic sampling strategy that overlooks image-specific information and restricts distractors to negative object categories only. In this paper, we introduce the Hallucination searching-based Object Probing Evaluation (HOPE) benchmark, aiming to generate the most misleading distractors (\textit{i.e.}, non-existent objects or incorrect image descriptions) that can trigger hallucination in LVLMs, which serves as a means to more rigorously assess their immunity to hallucination. To explore the image-specific information, the content-aware hallucination searching leverages Contrastive Language-Image Pre-Training (CLIP) to approximate the predictive behavior of LVLMs by selecting negative objects with the highest predicted likelihood as distractors. To expand the scope of hallucination assessment, the description-based hallucination searching constructs highly misleading distractors by pairing true objects with false descriptions. Experimental results show that HOPE leads to a precision drop of at least 9\% and up to 23\% across various state-of-the-art LVLMs, significantly outperforming POPE in exposing hallucination vulnerabilities. The code is available at https://github.com/xiemk/HOPE.

Johannes Ackermann, Takashi Ishida, Masashi Sugiyama

Reinforcement Learning from Human Feedback (RLHF) allows us to train models, such as language models (LMs), to follow complex human preferences. In RLHF for LMs, we first train an LM using supervised fine-tuning, sample pairs of responses, obtain human feedback, and use the resulting data to train a reward model (RM). RL methods are then used to train the LM to maximize the reward given by the RM. As training progresses, the responses generated by the LM no longer resemble the responses seen by the RM during training, leading to the RM becoming inaccurate. The score given by the RM keeps increasing, but the learned behavior no longer matches the human preferences. This issue is known as overoptimization. We investigate overoptimization from the point of view of distribution shift and show that the shift results in an inconsistent estimate of the RM parameters, leading to an inconsistent estimate of the policy gradient. We propose Off-Policy Corrected Reward Modeling (OCRM), which iteratively off-policy corrects the RM using importance weighting, without requiring new labels or samples. This results in a more accurate RM, which empirically leads to an improved final policy. We validate our approach in experiments with summarization and chatbot datasets and show that it performs significantly better than standard RLHF methods and baselines. Our implementation is available at https://github.com/JohannesAck/OffPolicyCorrectedRewardModeling

Jingfeng Zhang, Bo Song, Haohan Wang et al.

Label-noise learning (LNL) aims to increase the model's generalization given training data with noisy labels. To facilitate practical LNL algorithms, researchers have proposed different label noise types, ranging from class-conditional to instance-dependent noises. In this paper, we introduce a novel label noise type called BadLabel, which can significantly degrade the performance of existing LNL algorithms by a large margin. BadLabel is crafted based on the label-flipping attack against standard classification, where specific samples are selected and their labels are flipped to other labels so that the loss values of clean and noisy labels become indistinguishable. To address the challenge posed by BadLabel, we further propose a robust LNL method that perturbs the labels in an adversarial manner at each epoch to make the loss values of clean and noisy labels again distinguishable. Once we select a small set of (mostly) clean labeled data, we can apply the techniques of semi-supervised learning to train the model accurately. Empirically, our experimental results demonstrate that existing LNL algorithms are vulnerable to the newly introduced BadLabel noise type, while our proposed robust LNL method can effectively improve the generalization performance of the model under various types of label noise. The new dataset of noisy labels and the source codes of robust LNL algorithms are available at https://github.com/zjfheart/BadLabels.

Xilie Xu, Jingfeng Zhang, Feng Liu et al.

Non-parametric two-sample tests (TSTs) that judge whether two sets of samples are drawn from the same distribution, have been widely used in the analysis of critical data. People tend to employ TSTs as trusted basic tools and rarely have any doubt about their reliability. This paper systematically uncovers the failure mode of non-parametric TSTs through adversarial attacks and then proposes corresponding defense strategies. First, we theoretically show that an adversary can upper-bound the distributional shift which guarantees the attack's invisibility. Furthermore, we theoretically find that the adversary can also degrade the lower bound of a TST's test power, which enables us to iteratively minimize the test criterion in order to search for adversarial pairs. To enable TST-agnostic attacks, we propose an ensemble attack (EA) framework that jointly minimizes the different types of test criteria. Second, to robustify TSTs, we propose a max-min optimization that iteratively generates adversarial pairs to train the deep kernels. Extensive experiments on both simulated and real-world datasets validate the adversarial vulnerabilities of non-parametric TSTs and the effectiveness of our proposed defense. Source code is available at https://github.com/GodXuxilie/Robust-TST.git.

Jiaheng Wei, Hangyu Liu, Tongliang Liu et al.

Label smoothing (LS) is an arising learning paradigm that uses the positively weighted average of both the hard training labels and uniformly distributed soft labels. It was shown that LS serves as a regularizer for training data with hard labels and therefore improves the generalization of the model. Later it was reported LS even helps with improving robustness when learning with noisy labels. However, we observed that the advantage of LS vanishes when we operate in a high label noise regime. Intuitively speaking, this is due to the increased entropy of $\mathbb{P}(\text{noisy label}|X)$ when the noise rate is high, in which case, further applying LS tends to "over-smooth" the estimated posterior. We proceeded to discover that several learning-with-noisy-labels solutions in the literature instead relate more closely to negative/not label smoothing (NLS), which acts counter to LS and defines as using a negative weight to combine the hard and soft labels! We provide understandings for the properties of LS and NLS when learning with noisy labels. Among other established properties, we theoretically show NLS is considered more beneficial when the label noise rates are high. We provide extensive experimental results on multiple benchmarks to support our findings too. Code is publicly available at https://github.com/UCSC-REAL/negative-label-smoothing.

Jingfeng Zhang, Xilie Xu, Bo Han et al.

Adversarial training (AT) formulated as the minimax optimization problem can effectively enhance the model's robustness against adversarial attacks. The existing AT methods mainly focused on manipulating the inner maximization for generating quality adversarial variants or manipulating the outer minimization for designing effective learning objectives. However, empirical results of AT always exhibit the robustness at odds with accuracy and the existence of the cross-over mixture problem, which motivates us to study some label randomness for benefiting the AT. First, we thoroughly investigate noisy labels (NLs) injection into AT's inner maximization and outer minimization, respectively and obtain the observations on when NL injection benefits AT. Second, based on the observations, we propose a simple but effective method -- NoiLIn that randomly injects NLs into training data at each training epoch and dynamically increases the NL injection rate once robust overfitting occurs. Empirically, NoiLIn can significantly mitigate the AT's undesirable issue of robust overfitting and even further improve the generalization of the state-of-the-art AT methods. Philosophically, NoiLIn sheds light on a new perspective of learning with NLs: NLs should not always be deemed detrimental, and even in the absence of NLs in the training set, we may consider injecting them deliberately. Codes are available in https://github.com/zjfheart/NoiLIn.

Hanshu Yan, Jingfeng Zhang, Gang Niu et al.

We investigate the adversarial robustness of CNNs from the perspective of channel-wise activations. By comparing \textit{non-robust} (normally trained) and \textit{robustified} (adversarially trained) models, we observe that adversarial training (AT) robustifies CNNs by aligning the channel-wise activations of adversarial data with those of their natural counterparts. However, the channels that are \textit{negatively-relevant} (NR) to predictions are still over-activated when processing adversarial data. Besides, we also observe that AT does not result in similar robustness for all classes. For the robust classes, channels with larger activation magnitudes are usually more \textit{positively-relevant} (PR) to predictions, but this alignment does not hold for the non-robust classes. Given these observations, we hypothesize that suppressing NR channels and aligning PR ones with their relevances further enhances the robustness of CNNs under AT. To examine this hypothesis, we introduce a novel mechanism, i.e., \underline{C}hannel-wise \underline{I}mportance-based \underline{F}eature \underline{S}election (CIFS). The CIFS manipulates channels' activations of certain layers by generating non-negative multipliers to these channels based on their relevances to predictions. Extensive experiments on benchmark datasets including CIFAR10 and SVHN clearly verify the hypothesis and CIFS's effectiveness of robustifying CNNs. \url{https://github.com/HanshuYAN/CIFS}

Zeke Xie, Fengxiang He, Shaopeng Fu et al.

Deep learning is often criticized by two serious issues which rarely exist in natural nervous systems: overfitting and catastrophic forgetting. It can even memorize randomly labelled data, which has little knowledge behind the instance-label pairs. When a deep network continually learns over time by accommodating new tasks, it usually quickly overwrites the knowledge learned from previous tasks. Referred to as the {\it neural variability}, it is well-known in neuroscience that human brain reactions exhibit substantial variability even in response to the same stimulus. This mechanism balances accuracy and plasticity/flexibility in the motor learning of natural nervous systems. Thus it motivates us to design a similar mechanism named {\it artificial neural variability} (ANV), which helps artificial neural networks learn some advantages from ``natural'' neural networks. We rigorously prove that ANV plays as an implicit regularizer of the mutual information between the training data and the learned model. This result theoretically guarantees ANV a strictly improved generalizability, robustness to label noise, and robustness to catastrophic forgetting. We then devise a {\it neural variable risk minimization} (NVRM) framework and {\it neural variable optimizers} to achieve ANV for conventional network architectures in practice. The empirical studies demonstrate that NVRM can effectively relieve overfitting, label noise memorization, and catastrophic forgetting at negligible costs. \footnote{Code: \url{https://github.com/zeke-xie/artificial-neural-variability-for-deep-learning}.

Shintaro Nakamura, Masashi Sugiyama

We study the real-valued combinatorial pure exploration of the multi-armed bandit in the fixed-budget setting. We first introduce the Combinatorial Successive Asign (CSA) algorithm, which is the first algorithm that can identify the best action even when the size of the action class is exponentially large with respect to the number of arms. We show that the upper bound of the probability of error of the CSA algorithm matches a lower bound up to a logarithmic factor in the exponent. Then, we introduce another algorithm named the Minimax Combinatorial Successive Accepts and Rejects (Minimax-CombSAR) algorithm for the case where the size of the action class is polynomial, and show that it is optimal, which matches a lower bound. Finally, we experimentally compare the algorithms with previous methods and show that our algorithm performs better.

Abudukelimu Wuerkaixi, Sen Cui, Jingfeng Zhang et al.

Recent years have witnessed a burgeoning interest in federated learning (FL). However, the contexts in which clients engage in sequential learning remain under-explored. Bridging FL and continual learning (CL) gives rise to a challenging practical problem: federated continual learning (FCL). Existing research in FCL primarily focuses on mitigating the catastrophic forgetting issue of continual learning while collaborating with other clients. We argue that the forgetting phenomena are not invariably detrimental. In this paper, we consider a more practical and challenging FCL setting characterized by potentially unrelated or even antagonistic data/tasks across different clients. In the FL scenario, statistical heterogeneity and data noise among clients may exhibit spurious correlations which result in biased feature learning. While existing CL strategies focus on a complete utilization of previous knowledge, we found that forgetting biased information is beneficial in our study. Therefore, we propose a new concept accurate forgetting (AF) and develop a novel generative-replay method~\method~which selectively utilizes previous knowledge in federated networks. We employ a probabilistic framework based on a normalizing flow model to quantify the credibility of previous knowledge. Comprehensive experiments affirm the superiority of our method over baselines.

Kunda Yan, Sen Cui, Abudukelimu Wuerkaixi et al.

In mobile and IoT systems, Federated Learning (FL) is increasingly important for effectively using data while maintaining user privacy. One key challenge in FL is managing statistical heterogeneity, such as non-i.i.d. data, arising from numerous clients and diverse data sources. This requires strategic cooperation, often with clients having similar characteristics. However, we are interested in a fundamental question: does achieving optimal cooperation necessarily entail cooperating with the most similar clients? Typically, significant model performance improvements are often realized not by partnering with the most similar models, but through leveraging complementary data. Our theoretical and empirical analyses suggest that optimal cooperation is achieved by enhancing complementarity in feature distribution while restricting the disparity in the correlation between features and targets. Accordingly, we introduce a novel framework, \texttt{FedSaC}, which balances similarity and complementarity in FL cooperation. Our framework aims to approximate an optimal cooperation network for each client by optimizing a weighted sum of model similarity and feature complementarity. The strength of \texttt{FedSaC} lies in its adaptability to various levels of data heterogeneity and multimodal scenarios. Our comprehensive unimodal and multimodal experiments demonstrate that \texttt{FedSaC} markedly surpasses other state-of-the-art FL methods.

Ming-Kun Xie, Jia-Hao Xiao, Pei Peng et al.

The key to multi-label image classification (MLC) is to improve model performance by leveraging label correlations. Unfortunately, it has been shown that overemphasizing co-occurrence relationships can cause the overfitting issue of the model, ultimately leading to performance degradation. In this paper, we provide a causal inference framework to show that the correlative features caused by the target object and its co-occurring objects can be regarded as a mediator, which has both positive and negative impacts on model predictions. On the positive side, the mediator enhances the recognition performance of the model by capturing co-occurrence relationships; on the negative side, it has the harmful causal effect that causes the model to make an incorrect prediction for the target object, even when only co-occurring objects are present in an image. To address this problem, we propose a counterfactual reasoning method to measure the total direct effect, achieved by enhancing the direct effect caused only by the target object. Due to the unknown location of the target object, we propose patching-based training and inference to accomplish this goal, which divides an image into multiple patches and identifies the pivot patch that contains the target object. Experimental results on multiple benchmark datasets with diverse configurations validate that the proposed method can achieve state-of-the-art performance.

Hao Chen, Jindong Wang, Lei Feng et al. · pku

Weakly supervised learning generally faces challenges in applicability to various scenarios with diverse weak supervision and in scalability due to the complexity of existing algorithms, thereby hindering the practical deployment. This paper introduces a general framework for learning from weak supervision (GLWS) with a novel algorithm. Central to GLWS is an Expectation-Maximization (EM) formulation, adeptly accommodating various weak supervision sources, including instance partial labels, aggregate statistics, pairwise observations, and unlabeled data. We further present an advanced algorithm that significantly simplifies the EM computational demands using a Non-deterministic Finite Automaton (NFA) along with a forward-backward algorithm, which effectively reduces time complexity from quadratic or factorial often required in existing solutions to linear scale. The problem of learning from arbitrary weak supervision is therefore converted to the NFA modeling of them. GLWS not only enhances the scalability of machine learning models but also demonstrates superior performance and versatility across 11 weak supervision scenarios. We hope our work paves the way for further advancements and practical deployment in this field.

Wei Wang, Dong-Dong Wu, Jindong Wang et al.

Partial-label learning (PLL) is a weakly supervised learning problem in which each example is associated with multiple candidate labels and only one is the true label. In recent years, many deep PLL algorithms have been developed to improve model performance. However, we find that some early developed algorithms are often underestimated and can outperform many later algorithms with complicated designs. In this paper, we delve into the empirical perspective of PLL and identify several critical but previously overlooked issues. First, model selection for PLL is non-trivial, but has never been systematically studied. Second, the experimental settings are highly inconsistent, making it difficult to evaluate the effectiveness of the algorithms. Third, there is a lack of real-world image datasets that can be compatible with modern network architectures. Based on these findings, we propose PLENCH, the first Partial-Label learning bENCHmark to systematically compare state-of-the-art deep PLL algorithms. We investigate the model selection problem for PLL for the first time, and propose novel model selection criteria with theoretical guarantees. We also create Partial-Label CIFAR-10 (PLCIFAR10), an image dataset of human-annotated partial labels collected from Amazon Mechanical Turk, to provide a testbed for evaluating the performance of PLL algorithms in more realistic scenarios. Researchers can quickly and conveniently perform a comprehensive and fair evaluation and verify the effectiveness of newly developed algorithms based on PLENCH. We hope that PLENCH will facilitate standardized, fair, and practical evaluation of PLL algorithms in the future.

Hao Chen, Zihan Wang, Ran Tao et al.

Foundation models are usually pre-trained on large-scale datasets and then adapted to downstream tasks through tuning. However, the large-scale pre-training datasets, often inaccessible or too expensive to handle, can contain label noise that may adversely affect the generalization of the model and pose unexpected risks. This paper stands out as the first work to comprehensively understand and analyze the nature of noise in pre-training datasets and then effectively mitigate its impacts on downstream tasks. Specifically, through extensive experiments of fully-supervised and image-text contrastive pre-training on synthetic noisy ImageNet-1K, YFCC15M, and CC12M datasets, we demonstrate that, while slight noise in pre-training can benefit in-domain (ID) performance, where the training and testing data share a similar distribution, it always deteriorates out-of-domain (OOD) performance, where training and testing distributions are significantly different. These observations are agnostic to scales of pre-training datasets, pre-training noise types, model architectures, pre-training objectives, downstream tuning methods, and downstream applications. We empirically ascertain that the reason behind this is that the pre-training noise shapes the feature space differently. We then propose a tuning method (NMTune) to affine the feature space to mitigate the malignant effect of noise and improve generalization, which is applicable in both parameter-efficient and black-box tuning manners. We additionally conduct extensive experiments on popular vision and language models, including APIs, which are supervised and self-supervised pre-trained on realistic noisy data for evaluation. Our analysis and results demonstrate the importance of this novel and fundamental research direction, which we term as Noisy Model Learning.