Locally Estimated Global Perturbations are Better than Local Perturbations for Federated Sharpness-aware Minimization

In federated learning (FL), the multi-step update and data heterogeneity among clients often lead to a loss landscape with sharper minima, degenerating the performance of the resulted global model. Prevalent federated approaches incorporate sharpness-aware minimization (SAM) into local training to mitigate this problem. However, the local loss landscapes may not accurately reflect the flatness of global loss landscape in heterogeneous environments; as a result, minimizing local sharpness and calculating perturbations on client data might not align the efficacy of SAM in FL with centralized training. To overcome this challenge, we propose FedLESAM, a novel algorithm that locally estimates the direction of global perturbation on client side as the difference between global models received in the previous active and current rounds. Besides the improved quality, FedLESAM also speed up federated SAM-based approaches since it only performs once backpropagation in each iteration. Theoretically, we prove a slightly tighter bound than its original FedSAM by ensuring consistent perturbation. Empirically, we conduct comprehensive experiments on four federated benchmark datasets under three partition strategies to demonstrate the superior performance and efficiency of FedLESAM.

Balancing Similarity and Complementarity for Federated Learning

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.

Counterfactual Reasoning for Multi-Label Image Classification via Patching-Based Training

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.

Generating Chain-of-Thoughts with a Direct Pairwise-Comparison Approach to Searching for the Most Promising Intermediate Thought

To improve the ability of the large language model (LLMs) to handle complex reasoning problems, chain-of-thoughts (CoT) methods were proposed to guide LLMs to reason step-by-step, facilitating problem solving from simple to complex tasks. State-of-the-art approaches for generating such a chain involve interactive collaboration, where the learner generates candidate intermediate thoughts, evaluated by the LLM, guiding the generation of subsequent thoughts. However, a widespread yet understudied problem is that the evaluation from the LLM is typically noisy and unreliable, potentially misleading the generation process in selecting promising intermediate thoughts. In this paper, motivated by Vapnik's principle, we propose a novel comparison-based CoT generation algorithm that directly identifies the most promising thoughts with the noisy feedback from the LLM. In each round, we randomly pair intermediate thoughts and directly prompt the LLM to select the more promising one from each pair, allowing us to identify the most promising thoughts through an iterative process. To further model the noise in the comparison, we resort to the techniques of ensemble and dueling bandits and propose two variants of the proposed algorithm. Experiments on three real-world mathematical and reasoning tasks demonstrate the effectiveness of our proposed algorithm and verify the rationale of the direct pairwise comparison.

Direct Distillation between Different Domains

Knowledge Distillation (KD) aims to learn a compact student network using knowledge from a large pre-trained teacher network, where both networks are trained on data from the same distribution. However, in practical applications, the student network may be required to perform in a new scenario (i.e., the target domain), which usually exhibits significant differences from the known scenario of the teacher network (i.e., the source domain). The traditional domain adaptation techniques can be integrated with KD in a two-stage process to bridge the domain gap, but the ultimate reliability of two-stage approaches tends to be limited due to the high computational consumption and the additional errors accumulated from both stages. To solve this problem, we propose a new one-stage method dubbed ``Direct Distillation between Different Domains" (4Ds). We first design a learnable adapter based on the Fourier transform to separate the domain-invariant knowledge from the domain-specific knowledge. Then, we build a fusion-activation mechanism to transfer the valuable domain-invariant knowledge to the student network, while simultaneously encouraging the adapter within the teacher network to learn the domain-specific knowledge of the target data. As a result, the teacher network can effectively transfer categorical knowledge that aligns with the target domain of the student network. Intensive experiments on various benchmark datasets demonstrate that our proposed 4Ds method successfully produces reliable student networks and outperforms state-of-the-art approaches.

Learning with Complementary Labels Revisited: A Consistent Approach via Negative-Unlabeled Learning

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. However, both conditions may not be satisfied in real-world scenarios. In this paper, we propose a novel complementary-label learning approach that does not rely on these conditions. 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. This observation allows us to propose a risk-consistent approach with theoretical guarantees. Furthermore, we introduce a risk correction approach to address overfitting problems when using complex models. We also prove the statistical consistency and convergence rate of the corrected risk estimator. Extensive experimental results on both synthetic and real-world benchmark datasets validate the superiority of our proposed approach over state-of-the-art methods.

Diversified Outlier Exposure for Out-of-Distribution Detection via Informative Extrapolation

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.

Atom-Motif Contrastive Transformer for Molecular Property Prediction

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.

Binary Classification with Confidence Difference

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.

Multi-Label Knowledge Distillation

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