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Deep Learning · Everything Else

Mingzhao Yang, Shangchao Su, Bin Li, Xiangyang Xue

In recent years, One-shot Federated Learning (OSFL) methods based on Diffusion Models (DMs) have garnered increasing attention due to their remarkable performance. However, most of these methods require the deployment of foundation models on client devices, which significantly raises the computational requirements and reduces their adaptability to heterogeneous client models. In this paper, we propose FedLMG, a heterogeneous one-shot Federated learning method with Local Model-Guided diffusion models. In our method, clients do not need access to any foundation models but only train and upload their local models, which is consistent with traditional FL methods. On the clients, we employ classification loss and batch normalization loss to capture the broad category features and detailed contextual features of the client distributions. On the server, based on the uploaded client models, we utilize backpropagation to guide the server’s DM in generating synthetic datasets that comply with the client distributions, which are then used to train the aggregated model. By using the local models as a medium to transfer client knowledge, our method significantly reduces the computational requirements on client devices and effectively adapts to scenarios with heterogeneous clients. Extensive quantitation and visualization experiments on three large-scale real-world datasets, along with theoretical analysis, demonstrate that the synthetic datasets generated by FedLMG exhibit comparable quality and diversity to the client datasets, which leads to an aggregated model that outperforms all compared methods and even the performance ceiling, further elucidating the significant potential of utilizing DMs in FL.

Applications · Health / Medicine

Sophie Hanna Langbein, Niklas Koenen, Marvin N. Wright

Deep learning survival models often outperform classical methods in time-to-event predictions, particularly in personalized medicine, but their "black box" nature hinders broader adoption. We propose a framework for gradient-based explanation methods tailored to survival neural networks, extending their use beyond regression and classification. We analyze the implications of their theoretical assumptions for time-dependent explanations in the survival setting and propose effective visualizations incorporating the temporal dimension. Experiments on synthetic data show that gradient-based methods capture the magnitude and direction of local and global feature effects, including time dependencies. We introduce GradSHAP(t), a gradient-based counterpart to SurvSHAP(t), which outperforms SurvSHAP(t) and SurvLIME in a computational speed vs. accuracy trade-off. Finally, we apply these methods to medical data with multi-modal inputs, revealing relevant tabular features and visual patterns, as well as their temporal dynamics.

Deep Learning · Other Representation Learning

Lincan Cai, Jingxuan Kang, Shuang Li, Wenxuan Ma, Binhui Xie, Zhida Qin, Jian Liang

Pretrained vision-language models (VLMs), e.g., CLIP, demonstrate impressive zero-shot capabilities on downstream tasks. Prior research highlights the crucial role of visual augmentation techniques, like random cropping, in alignment with fine-grained class descriptions generated by large language models (LLMs), significantly enhancing zero-shot performance by incorporating multi-view information. However, the inherent randomness of these augmentations can inevitably introduce background artifacts and cause models to overly focus on local details, compromising global semantic understanding. To address these issues, we propose an **A**ttention-**B**ased **S**election (**ABS**) method from local details to global context, which applies attention-guided cropping in both raw images and feature space, supplement global semantic information through strategic feature selection. Additionally, we introduce a soft matching technique to effectively filter LLM descriptions for better alignment. **ABS** achieves state-of-the-art performance on out-of-distribution generalization and zero-shot classification tasks. Notably, **ABS** is training-free and even rivals few-shot and test-time adaptation methods.

Deep Learning · Graph Neural Networks

Karish Grover, Geoff Gordon, Christos Faloutsos

Does the intrinsic curvature of complex networks hold the key to unveiling graph anomalies that conventional approaches overlook? Reconstruction-based graph anomaly detection (GAD) methods overlook such geometric outliers, focusing only on structural and attribute-level anomalies. To this end, we propose CurvGAD - a mixed-curvature graph autoencoder that introduces the notion of curvature-based geometric anomalies. CurvGAD introduces two parallel pipelines for enhanced anomaly interpretability: (1) Curvature-equivariant geometry reconstruction, which focuses exclusively on reconstructing the edge curvatures using a mixed-curvature, Riemannian encoder and Gaussian kernel-based decoder; and (2) Curvature-invariant structure and attribute reconstruction, which decouples structural and attribute anomalies from geometric irregularities by regularizing graph curvature under discrete Ollivier-Ricci flow, thereby isolating the non-geometric anomalies. By leveraging curvature, CurvGAD refines the existing anomaly classifications and identifies new curvature-driven anomalies. Extensive experimentation over 10 real-world datasets (both homophilic and heterophilic) demonstrates an improvement of up to 6.5% over state-of-the-art GAD methods. The code is available at: https://github.com/karish-grover/curvgad.

Deep Learning · Graph Neural Networks

Langzhang Liang, Fanchen Bu, Zixing Song, Zenglin Xu, Shirui Pan, Kijung Shin

The message-passing paradigm of Graph Neural Networks often struggles with exchanging information across distant nodes typically due to structural bottlenecks in certain graph regions, a limitation known as over-squashing. To reduce such bottlenecks, graph rewiring, which modifies graph topology, has been widely used. However, existing graph rewiring techniques often overlook the need to preserve critical properties of the original graph, e.g., spectral properties. Moreover, many approaches rely on increasing edge count to improve connectivity, which introduces significant computational overhead and exacerbates the risk of over-smoothing. In this paper, we propose a novel graph-rewiring method that leverages spectral graph sparsification for mitigating over-squashing. Specifically, our method generates graphs with enhanced connectivity while maintaining sparsity and largely preserving the original graph spectrum, effectively balancing structural bottleneck reduction and graph property preservation. Experimental results validate the effectiveness of our approach, demonstrating its superiority over strong baseline methods in classification accuracy and retention of the Laplacian spectrum.

General Machine Learning · Transfer, Multitask and Meta-learning

Shuaicheng Niu, Guohao Chen, Peilin Zhao, Tianyi Wang, Pengcheng Wu, Zhiqi Shen

In this paper, we seek to develop a versatile test-time adaptation (TTA) objective for a variety of tasks — classification and regression across image-, object-, and pixel-level predictions. We achieve this through a self-bootstrapping scheme that optimizes prediction consistency between the test image (as target) and its deteriorated view. The key challenge lies in devising effective augmentations/deteriorations that: i) preserve the image’s geometric information, e.g., object sizes and locations, which is crucial for TTA on object/pixel-level tasks, and ii) provide sufficient learning signals for TTA. To this end, we analyze how common distribution shifts affect the image's information power across spatial frequencies in the Fourier domain, and reveal that low-frequency components carry high power and masking these components supplies more learning signals, while masking high-frequency components can not. In light of this, we randomly mask the low-frequency amplitude of an image in its Fourier domain for augmentation. Meanwhile, we also augment the image with noise injection to compensate for missing learning signals at high frequencies, by enhancing the information power there. Experiments show that, either independently or as a plug-and-play module, our method achieves superior results across classification, segmentation, and 3D monocular detection tasks with both transformer and CNN models.

General Machine Learning · Everything Else

Jun-Qi Guo, Meng-Zhang Qian, Wei Gao, Zhi-Hua Zhou

Diversity has been one of the most crucial factors on the design of adversarial ensemble methods. This work focuses on the fundamental problems: How to define the diversity for the adversarial ensemble, and how to correlate with algorithmic performance. We first show that it is an NP-Hard problem to precisely calculate the diversity of two networks in adversarial ensemble learning, which makes it different from prior diversity analysis. We present the first diversity decomposition under the first-order approximation for the adversarial ensemble learning. Specifically, the adversarial ensemble loss can be decomposed into average of individual adversarial losses, gradient diversity, prediction diversity and cross diversity. Hence, it is not sufficient to merely consider the gradient diversity on the characterization of diversity as in previous adversarial ensemble methods. We present diversity decomposition for classification with cross-entropy loss similarly. Based on the theoretical analysis, we develop new ensemble method via orthogonal adversarial predictions to simultaneously improve gradient diversity and cross diversity. We finally conduct experiments to validate the effectiveness of our method.

General Machine Learning · Causality

Yujia Yin, Tianyi Qu, Zihao Wang, Yifan Chen

Through recognizing causal subgraphs, causal graph learning (CGL) has risen to be a promising approach for improving the generalizability of graph neural networks under out-of-distribution (OOD) scenarios. However, the empirical successes of CGL techniques are mostly exemplified in classification settings, while regression tasks, a more challenging setting in graph learning, are overlooked. We thus devote this work to tackling causal graph regression (CGR); to this end we reshape the processing of confounding effects in existing CGL studies, which mainly deal with classification. Specifically, we reflect on the predictive power of confounders in graph-level regression, and generalize classification-specific causal intervention techniques to regression through a lens of contrastive learning. Extensive experiments on graph OOD benchmarks validate the efficacy of our proposals for CGR. The model implementation and the code are provided on https://github.com/causal-graph/CGR.

General Machine Learning · Online Learning, Active Learning and Bandits

Haosen Ge, Hamsa Bastani, Osbert Bastani

Conformal prediction has emerged as an effective strategy for uncertainty quantification by modifying a model to output sets of labels instead of a single label. These prediction sets come with the guarantee that they contain the true label with high probability. However, conformal prediction typically requires a large calibration dataset of i.i.d. examples. We consider the online learning setting, where examples arrive over time, and the goal is to construct prediction sets dynamically. Departing from existing work, we assume semi-bandit feedback, where we *only observe the true label if it is contained in the prediction set*. For instance, consider calibrating a document retrieval model to a new domain; in this setting, a user would only be able to provide the true label if the target document is in the prediction set of retrieved documents. We propose a novel conformal prediction algorithm targeted at this setting, and prove that it obtains sublinear regret compared to the optimal conformal predictor. We evaluate our algorithm on a retrieval task, an image classification task, and an auction price-setting task, and demonstrate that it empirically achieves good performance compared to several baselines.

General Machine Learning · Representation Learning

Liang Huang, Benedict Lee, Daniel Ng, Kelin Xia

Text classification is a fundamental task in Natural Language Processing (NLP). Short text classification has recently captured much attention due to its increased amount from various sources with limited labels and its inherent challenges for its sparsity in words and semantics. Recent studies have adopted self-supervised contrastive learning across different representations to improve performance. However, most of the current models face several challenges. Firstly, the augmentation step might not be able to generate positive and negative samples that are semantically similar and dissimilar to the anchor respectively. Secondly, the text data could be enhanced with external auxiliary information that might introduce noise to the sparse text data. In addition, they are limited in capturing higher-order information such as group-wise interactions. In this work, we propose a novel document simplicial complex construction based on text data for a higher-order message-passing mechanism. We enhance the short text classification performance by contrasting the structural representation with the sequential representation generated by the transformer mechanism for improved outcomes and mitigated issues. The proposed framework, Contrastive Learning with Simplicial Convolutional Networks (C-SCN), leverages the expressive power of graph neural networks, models higher-order information beyond pair-wise relations and enriches features through contrastive learning. Experimental results on four benchmark datasets demonstrate the capability of C-SCN to outperform existing models in analysing sequential and complex short-text data.

General Machine Learning · Sequential, Network, and Time Series Modeling

Shikang Liu, Chuyang Wei, Xiren Zhou, Huanhuan Chen

Analyzing inherent temporal dynamics is a critical pathway for time series classification, where Reservoir Computing (RC) exhibits effectiveness and high efficiency. However, typical RC considers recursive updates from adjacent states, struggling with long-term dependencies. In response, this paper proposes a Spectral-Aware Reservoir Computing framework (SARC), incorporating spectral insights to enhance long-term dependency modeling. Prominent frequencies are initially extracted to reveal explicit or implicit cyclical patterns. For each prominent frequency, SARC further integrates a Frequency-informed Reservoir Network (FreqRes) to adequately capture both sequential and cyclical dynamics, thereby deriving effective dynamic features. Synthesizing these features across various frequencies, SARC offers a multi-scale analysis of temporal dynamics and improves the modeling of long-term dependencies. Experiments on public datasets demonstrate that SARC achieves state-of-the-art results, while maintaining high efficiency compared to existing methods.

Deep Learning · Large Language Models

Gaurush Hiranandani, Haolun Wu, Subhojyoti Mukherjee, Sanmi Koyejo

Many commercial Large Language Models (LLMs) are often closed-source, limiting developers to prompt tuning for aligning content generation with specific applications. While these models currently do not provide access to token logits, we argue that if such access were available, it would enable more powerful adaptation techniques beyond prompt engineering. In this paper, we propose a token-level probability reweighting framework that, given access to logits and a small amount of task-specific data, can effectively steer black-box LLMs toward application-specific content generation. Our approach views next-token prediction through the lens of supervised classification. We show that aligning black-box LLMs with task-specific data can be formulated as a label noise correction problem, leading to Plugin model -- an autoregressive probability reweighting model that operates solely on logits. We provide theoretical justification for why reweighting logits alone is sufficient for task adaptation. Extensive experiments with multiple datasets, LLMs, and reweighting models demonstrate the effectiveness of our method, advocating for broader access to token logits in closed-source models. We provide our code at this https URL.

Applications · Neuroscience, Cognitive Science

Weiyu Guo, Ziyue Qiao, Ying Sun, Yijie Xu, Hui Xiong

Gesture recognition based on surface electromyography (sEMG) has been gaining importance in many 3D Interactive Scenes. However, sEMG is easily influenced by various forms of noise in real-world environments, leading to challenges in providing long-term stable interactions through sEMG. Existing methods often struggle to enhance model noise resilience through various predefined data augmentation techniques.In this work, we revisit the problem from a short-term enhancement perspective to improve precision and robustness against various common noisy scenarios with learnable denoise using sEMG intrinsic pattern information and sliding-window attention. We propose a Short Term Enhancement Module(STEM), which can be easily integrated with various models. STEM offers several benefits: 1) Noise-resistant, enhanced robustness against noise without manual data augmentation; 2) Adaptability, adaptable to various models; and 3) Inference efficiency, achieving short-term enhancement through minimal weight-sharing in an efficient attention mechanism.In particular, we incorporate STEM into a transformer, creating the Short-Term Enhanced Transformer (STET).Compared with best-competing approaches, the impact of noise on STET is reduced by more than 20\%. We report promising results on classification and regression tasks and demonstrate that STEM generalizes across different gesture recognition tasks. The code is available at https://anonymous.4open.science/r/short_term_semg.

General Machine Learning

Cong Hua, Qianqian Xu, Zhiyong Yang, Zitai Wang, Shilong Bao, Qingming Huang

Prompt tuning adapts Vision-Language Models like CLIP to open-world tasks with minimal training costs. In this direction, one typical paradigm evaluates model performance **separately** on known classes (*i.e.*, base domain) and unseen classes (*i.e.*, new domain). However, real-world scenarios require models to handle inputs **without prior domain knowledge**. This practical challenge has spurred the development of **open-world prompt tuning**, which demands a unified evaluation of two stages: 1) detecting whether an input belongs to the base or new domain (**P1**), and 2) classifying the sample into its correct class (**P2**). What's more, as domain distributions are generally unknown, a proper metric should be insensitive to varying base/new sample ratios (**P3**). However, we find that current metrics, including HM, overall accuracy, and AUROC, fail to satisfy these three properties simultaneously. To bridge this gap, we propose $\mathsf{OpenworldAUC}$, a unified metric that jointly assesses detection and classification through pairwise instance comparisons. To optimize $\mathsf{OpenworldAUC}$ effectively, we introduce **Gated Mixture-of-Prompts (GMoP)**, which employs domain-specific prompts and a gating mechanism to dynamically balance detection and classification. Theoretical guarantees ensure generalization of GMoP under practical conditions. Experiments on 15 benchmarks in open-world scenarios show GMoP achieves SOTA performance on $\mathsf{OpenworldAUC}$ and other metrics.

Theory · Domain Adaptation and Transfer Learning

Chao Xu, Xijia Tang, Chenping Hou

In open-environment applications, data are often collected from heterogeneous modalities with distinct encodings, resulting in feature space heterogeneity. This heterogeneity inherently induces label shift, making cross-modal knowledge transfer particularly challenging when the source and target data exhibit simultaneous heterogeneous feature spaces and shifted label distributions. Existing studies address only partial aspects of this issue, leaving the broader problem unresolved. To bridge this gap, we introduce a new concept of Heterogeneous Label Shift (HLS), targeting this critical but underexplored challenge. We first analyze the impact of heterogeneous feature spaces and label distribution shifts on model generalization and introduce a novel error decomposition theorem. Based on these insights, we propose a bound minimization HLS framework that decouples and tackles feature heterogeneity and label shift accordingly. Extensive experiments on various benchmarks for cross-modal classification validate the effectiveness and practical relevance of the proposed approach.

General Machine Learning · Unsupervised and Semi-supervised Learning

Yuanchao Dai, Ximing Li, Changchun Li

Training a precise binary classifier with limited supervision in weakly supervised learning scenarios holds considerable research significance in practical settings. Leveraging pairwise unlabeled data with confidence differences has been demonstrated to outperform learning from pointwise unlabeled data. We theoretically analyze the various supervisory signals reflected by confidence differences in confidence difference (ConfDiff) classification and identify challenges arising from noisy signals when confidence differences are small. To address this, we partition the dataset into two subsets with distinct supervisory signals and propose a consistency regularization-based risk estimator to encourage similar outputs for similar instances, mitigating the impact of noisy supervision. We further derive and analyze its estimation error bounds theoretically. Extensive experiments on benchmark and UCI datasets demonstrate the effectiveness of our method. Additionally, to effectively capture the influence of real-world noise on the confidence difference, we artificially perturb the confidence difference distribution and demonstrate the robustness of our method under noisy conditions through comprehensive experiments.

General Machine Learning · Representation Learning

Haoyang Li, Xin Wang, Zeyang Zhang, Zongyuan Wu, Linxin Xiao, Wenwu Zhu

Self-supervised learning (SSL) on graph-structured data has attracted considerable attention recently. Masked graph autoencoder, as one promising generative graph SSL approach that aims to recover masked parts of the input graph data, has shown great success in various downstream graph tasks. However, existing masked graph autoencoders fail to consider the degree of difficulty of recovering the masked edges that often have different impacts on the model performance, resulting in suboptimal node representations. To tackle this challenge, in this paper, we propose a novel curriculum based self-supervised masked graph autoencoder that is able to capture and leverage the underlying degree of difficulty of data dependencies hidden in edges, and design better mask-reconstruction pretext tasks for learning informative node representations. Specifically, we first design a difficulty measurer to identify the underlying structural degree of difficulty of edges during the masking step. Then, we adopt a self-paced scheduler to determine the order of masking edges, which encourages the graph encoder to learn from easy to difficult parts. Finally, the masked edges are gradually incorporated into the reconstruction pretext task, leading to high-quality node representations. Experiments on several real-world node classification and link prediction datasets demonstrate the superiority of our proposed method over state-of-the-art graph self-supervised learning baselines. This work is the first study of curriculum strategy for masked graph autoencoders, to the best of our knowledge.

Theory · Learning Theory

Zhongtian Ma, Qiaosheng Zhang, Bocheng Zhou, Yexin Zhang, Shuyue Hu, Zhen Wang

Despite the growing popularity of graph attention mechanisms, their theoretical understanding remains limited. This paper aims to explore the conditions under which these mechanisms are effective in node classification tasks through the lens of Contextual Stochastic Block Models (CSBMs). Our theoretical analysis reveals that incorporating graph attention mechanisms is *not universally beneficial*. Specifically, by appropriately defining *structure noise* and *feature noise* in graphs, we show that graph attention mechanisms can enhance classification performance when structure noise exceeds feature noise. Conversely, when feature noise predominates, simpler graph convolution operations are more effective. Furthermore, we examine the over-smoothing phenomenon and show that, in the high signal-to-noise ratio (SNR) regime, graph convolutional networks suffer from over-smoothing, whereas graph attention mechanisms can effectively resolve this issue. Building on these insights, we propose a novel multi-layer Graph Attention Network (GAT) architecture that significantly outperforms single-layer GATs in achieving *perfect node classification* in CSBMs, relaxing the SNR requirement from $\omega(\sqrt{\log n})$ to $\omega(\sqrt{\log n} / \sqrt[3]{n})$. To our knowledge, this is the first study to delineate the conditions for perfect node classification using multi-layer GATs. Our theoretical contributions are corroborated by extensive experiments on both synthetic and real-world datasets, highlighting the practical implications of our findings.

Deep Learning · Theory

Marvin F, da Silva, Felix Dangel, Sageev Oore

The concept of sharpness has been successfully applied to traditional architectures like MLPs and CNNs to predict their generalization. For transformers, however, recent work reported weak correlation between flatness and generalization. We argue that existing sharpness measures fail for transformers, because they have much richer symmetries in their attention mechanism that induce directions in parameter space along which the network or its loss remain identical. We posit that sharpness must account fully for these symmetries, and thus we redefine it on a quotient manifold that results from quotienting out the transformer symmetries, thereby removing their ambiguities. Leveraging tools from Riemannian geometry, we propose a fully general notion of sharpness, in terms of a geodesic ball on the symmetry-corrected quotient manifold. In practice, we need to resort to approximating the geodesics. Doing so up to first order yields existing adaptive sharpness measures, and we demonstrate that including higher-order terms is crucial to recover correlation with generalization. We present results on diagonal networks with synthetic data, and show that our geodesic sharpness reveals strong correlation for real-world transformers on both text and image classification tasks.

Deep Learning

Si-Yang Liu, Han-Jia Ye

TabPFN has emerged as a promising in-context learning model for tabular data, capable of directly predicting the labels of test samples given labeled training examples. It has demonstrated competitive performance, particularly on small-scale classification tasks. However, despite its effectiveness, TabPFN still requires further refinement in several areas, including handling high-dimensional features, aligning with downstream datasets, and scaling to larger datasets.In this paper, we revisit existing variants of TabPFN and observe that most approaches focus either on reducing bias or variance, often neglecting the need to address the other side, while also increasing inference overhead. To fill this gap, we propose Beta (**B**agging and **E**ncoder-based Fine-tuning for **T**abPFN **A**daptation), a novel and effective method designed to *minimize both bias and variance*. To reduce bias, we introduce a lightweight encoder to better align downstream tasks with the pre-trained TabPFN. By increasing the number of encoders in a lightweight manner, Beta mitigates variance, thereby further improving the model’s performance. Additionally, bootstrapped sampling is employed to further reduce the impact of data perturbations on the model, all while maintaining computational efficiency during inference. Our approach enhances TabPFN’s ability to handle high-dimensional data and scale to larger datasets. Experimental results on over 200 benchmark classification datasets demonstrate that Beta either outperforms or matches state-of-the-art methods.