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Deep Learning · Other Representation Learning

Laure Ciernik, Lorenz Linhardt, Marco Morik, Jonas Dippel, Simon Kornblith, Lukas Muttenthaler

The Platonic Representation Hypothesis claims that recent foundation models are converging to a shared representation space as a function of their downstream task performance, irrespective of the objectives and data modalities used to train these models (Huh et al., 2024). Representational similarity is generally measured for individual datasets and is not necessarily consistent across datasets. Thus, one may wonder whether this convergence of model representations is confounded by the datasets commonly used in machine learning. Here, we propose a systematic way to measure how representational similarity between models varies with the set of stimuli used to construct the representations. We find that the objective function is a crucial factor in determining the consistency of representational similarities across datasets. Specifically, self-supervised vision models learn representations whose relative pairwise similarities generalize better from one dataset to another compared to those of image classification or image-text models. Moreover, the correspondence between representational similarities and the models' task behavior is dataset-dependent, being most strongly pronounced for single-domain datasets. Our work provides a framework for analyzing similarities of model representations across datasets and linking those similarities to differences in task behavior.

Deep Learning · Robustness

Anish Acharya, Sujay Sanghavi, Alex Dimakis, Inderjit Dhillon

Data pruning -- the combinatorial task of selecting a small and representative subset from a large dataset, is crucial for mitigating the enormous computational costs associated with training data-hungry modern deep learning models at scale. Since large-scale data collections are invariably noisy, developing data pruning strategies that remain robust even in the presence of corruption is critical in practice. Existing data pruning methods often fail under high corruption rates due to their reliance on empirical mean estimation, which is highly sensitive to outliers. In response, this work proposes Geometric Median (GM) Matching, a novel k-subset selection strategy that leverages the Geometric Median (GM) , a robust estimator with an optimal breakdown point of 1/2; to enhance resilience against noisy data. Our method iteratively selects a $k$-subset such that the mean of the subset approximates the GM of the (potentially) noisy dataset, ensuring robustness even under arbitrary corruption. We provide theoretical guarantees, showing that GM Matching enjoys an improved $\mathcal{O}(1/k)$ convergence rate, outperforming $\mathcal{O}(1/\sqrt{k})$ scaling of uniform sampling, even under arbitrary corruption. Extensive experiments across image classification and image generation tasks demonstrate that GM Matching consistently outperforms existing pruning approaches, particularly in high-corruption settings; making it a strong baseline for robust data pruning.

Applications · Computer Vision

Yixin Zha, Chuxin Wang, Wenfei Yang, Tianzhu Zhang, Feng Wu

A series of pre-trained models have demonstrated promising results in point cloud understanding tasks and are widely applied to downstream tasks through fine-tuning. However, full fine-tuning leads to the forgetting of pretrained knowledge and substantial storage costs on edge devices. To address these issues, Parameter-Efficient Transfer Learning (PETL) methods have been proposed. According to our analysis, we find that existing 3D PETL methods cannot adequately align with semantic relationships of features required by downstream tasks, resulting in suboptimal performance. To ensure parameter efficiency while introducing rich semantic cues, we propose a novel fine-tuning paradigm for 3D pre-trained models. We utilize frozen 2D pre-trained models to provide vision semantic prompts and design a new Hybrid Attention Adapter to efficiently fuse 2D semantic cues into 3D representations with minimal trainable parameters(1.8M). Extensive experiments conducted on datasets including ScanObjectNN, ModelNet40, and ShapeNetPart demonstrate the effectiveness of our proposed paradigm. In particular, our method achieves 95.6% accuracy on ModelNet40 and attains 90.09% performance on the most challenging classification split ScanObjectNN(PB-T50-RS).

Social Aspects · Safety

Yuwei Niu, Shuo He, Qi Wei, Zongyu Wu, Feng Liu, Lei Feng

While multimodal contrastive learning methods (e.g., CLIP) can achieve impressive zero-shot classification performance, recent research has revealed that these methods are vulnerable to backdoor attacks. To defend against backdoor attacks on CLIP, existing defense methods focus on either the pre-training stage or the fine-tuning stage, which would unfortunately cause high computational costs due to numerous parameter updates and are not applicable in black-box settings. In this paper, we provide the first attempt at a computationally efficient backdoor detection method to defend against backdoored CLIP in the inference stage. We empirically find that the visual representations of backdoored images are insensitive to benign and malignant changes in class description texts. Motivated by this observation, we propose BDetCLIP, a novel test-time backdoor detection method based on contrastive prompting. Specifically, we first prompt a language model (e.g., GPT-4) to produce class-related description texts (benign) and class-perturbed random texts (malignant) by specially designed instructions. Then, the distribution difference in cosine similarity between images and the two types of class description texts can be used as the criterion to detect backdoor samples. Extensive experiments validate that our proposed BDetCLIP is superior to state-of-the-art backdoor detection methods, in terms of both effectiveness and efficiency.

Deep Learning · Graph Neural Networks

Yogesh Verma, Amauri Souza, Vikas Garg

The local inductive bias of message-passing graph neural networks (GNNs) hampers their ability to exploit key structural information (e.g., connectivity and cycles). Positional encoding (PE) and Persistent Homology (PH) have emerged as two promising approaches to mitigate this issue. PE schemes endow GNNs with location-aware features, while PH methods enhance GNNs with multiresolution topological features. However, a rigorous theoretical characterization of the relative merits and shortcomings of PE and PH has remained elusive. We bridge this gap by establishing that neither paradigm is more expressive than the other, providing novel constructions where one approach fails but the other succeeds. Our insights inform the design of a novel learnable method, PiPE (Persistence-informed Positional Encoding), which is provably more expressive than both PH and PE. PiPE demonstrates strong performance across a variety of tasks (e.g., molecule property prediction, graph classification, and out-of-distribution generalization), thereby advancing the frontiers of graph representation learning. Code is available at https://github.com/Aalto-QuML/PIPE

Deep Learning · Large Language Models

Harshvardhan Agarwal, Sunita Sarawagi

Large language models (LLMs) have demonstrated the capability to perform in-context learning (ICL) for completely unseen tasks in classification or language completion. Sequence to sequence (seq2seq) is another popular task category with several applications seeking quick adaptation with ICL. We present a systematic analysis of the ICL capability of LLMs on Seq2Seq tasks using a formal structured language-pair. Our study reveals a critical limitation: except for very short input sequences, ICL fails to achieve consistent learning across all output positions. This exposes a fundamental weakness of modern LLMs — their inability to effectively uncover the alignment between input and output sequences. Consequently, this limitation results in incomplete induction heads, which are essential for in-context learning of new discrete mappings.To address these limitations, we propose ICA-Tune, a method for focused fine-tuning of an LLM using in-context examples. We present a mechanistic evaluation with two accuracy probes to show how input-output alignment emerges in middle layers of an LLM without direct supervision. This alignment leads to an abrupt jump in the completeness of the induction heads in higher layers. We show that, compared to standard fine-tuning, ICA-Tune enables more sample efficient learning and better generalization to OOD instances.

Theory · Online Learning and Bandits

Steve Hanneke, Amirreza Shaeiri

List learning is an important topic in both theoretical and empirical machine learning research, playing a key role in the recent breakthrough result of (Brukhim et al., 2022) on the characterization of multiclass PAC learnability, as well as addressing label ambiguity in computer vision classification tasks, among others. In this paper, we study the problem of list transductive online learning. In this framework, the learner outputs a list of multiple labels for each instance rather than just one, as in traditional multiclass classification. In the realizable setting, we demonstrate a trichotomy of possible rates of the minimax number of mistakes. In particular, if the learner plays for $\text{T} \in \mathbb{N}$ rounds, its minimax number of mistakes can only be of the orders $\Theta(\text{T})$, $\Theta(\log \text{T})$, or $\Theta(1)$. This resolves an open question raised by (Hanneke et al., 2024). On the other hand, in the agnostic setting, we characterize the learnability by constructively proving the $\widetilde{\mathcal{O}}(\sqrt{\text{T}})$ upper bound on the minimax expected regret. Along the way, we also answer another open question asked by (Moran et al., 2023). To establish these results, we introduce two new combinatorial complexity dimensions, called the Level-constrained $(\mathrm{L+1})$-Littlestone dimension and Level-constrained $(\mathrm{L+1})$-Branching dimension, if the list size is $\mathrm{L} \in \mathbb{N}$. Eventually, we conclude our work by raising an open question regarding eliminating the factor list size, which seems to be a crucial step, as it has consistently appeared in previous works on this subject.

Deep Learning · Attention Mechanisms

Aaron Wang, William Convertino, Xiang Cheng, Ricardo Henao, Lawrence Carin

In-context learning based on attention models is examined for data with categorical outcomes, with inference in such models viewed from the perspective of functional gradient descent (GD). We develop a network composed of attention blocks, with each block employing a self-attention layer followed by a cross-attention layer, with associated skip connections. This model can exactly perform multi-step functional GD inference for in-context inference with categorical observations. We perform a theoretical analysis of this setup, generalizing many prior assumptions in this line of work, including the class of attention mechanisms for which it is appropriate. We demonstrate the framework empirically on synthetic data, image classification and language generation.

Deep Learning · Sequential Models, Time series

Zhen Liu, Yicheng Luo, Boyuan Li, Emadeldeen Eldele, Min Wu, Qianli Ma

Shapelets are discriminative subsequences (or shapes) with high interpretability in time series classification. Due to the time-intensive nature of shapelet discovery, existing shapelet-based methods mainly focus on selecting discriminative shapes while discarding others to achieve candidate subsequence sparsification. However, this approach may exclude beneficial shapes and overlook the varying contributions of shapelets to classification performance. To this end, we propose a Soft sparse Shapes (SoftShape) model for efficient time series classification. Our approach mainly introduces soft shape sparsification and soft shape learning blocks. The former transforms shapes into soft representations based on classification contribution scores, merging lower-scored ones into a single shape to retain and differentiate all subsequence information. The latter facilitates intra- and inter-shape temporal pattern learning, improving model efficiency by using sparsified soft shapes as inputs. Specifically, we employ a learnable router to activate a subset of class-specific expert networks for intra-shape pattern learning. Meanwhile, a shared expert network learns inter-shape patterns by converting sparsified shapes into sequences. Extensive experiments show that SoftShape outperforms state-of-the-art methods and produces interpretable results.

Deep Learning · Algorithms

Zhangchi Zhao, Jun Shu, Deyu Meng, Zongben Xu

Inspired by the Kolmogorov-Arnold representation theorem, KANs offer a novel framework for function approximation by replacing traditional neural network weights with learnable univariate functions. This design demonstrates significant potential as an efficient and interpretable alternative to traditional MLPs. However, KANs are characterized by a substantially larger number of trainable parameters, leading to challenges in memory efficiency and higher training costs compared to MLPs. To address this limitation, we propose to generate weights for KANs via a smaller meta-learner, called MetaKANs. By training KANs and MetaKANs in an end-to-end differentiable manner, MetaKANs achieve comparable or even superior performance while significantly reducing the number of trainable parameters and maintaining promising interpretability. Extensive experiments on diverse benchmark tasks, including symbolic regression, partial differential equation solving, and image classification, demonstrate the effectiveness of MetaKANs in improving parameter efficiency and memory usage. The proposed method provides an alternative technique for training KANs, that allows for greater scalability and extensibility, and narrows the training cost gap with MLPs stated in the original paper of KANs. Our code is available at \url{https://github.com/Murphyzc/MetaKAN}.

General Machine Learning · Clustering

Yalan Qin, Nan Pu, Guorui Feng, Nicu Sebe

As a leading unsupervised classification algorithm in artificial intelligence, multi-view subspace clustering segments unlabeled data from different subspaces. Recent works based on the anchor have been proposed to decrease the computation complexity for the datasets with large scales in multi-view clustering. The major differences among these methods lie on the objective functions they define. Despite considerable success, these works pay few attention to guaranting the robustness of learned consensus anchors via effective manner for efficient multi-view clustering and investigating the specific local distribution of cluster in the affine subspace. Besides, the robust consensus anchors as well as the common cluster structure shared by different views are not able to be simultaneously learned. In this paper, we propose Robust Consensus anchors learning for efficient multi-view Subspace Clustering (RCSC). We first show that if the data are sufficiently sampled from independent subspaces, and the objective function meets some conditions, the achieved anchor graph has the block-diagonal structure. As a special case, we provide a model based on Frobenius norm, non-negative and affine constraints in consensus anchors learning, which guarantees the robustness of learned consensus anchors for efficient multi-view clustering and investigates the specific local distribution of cluster in the affine subspace. While it is simple, we theoretically give the geometric analysis regarding the formulated RCSC. The union of these three constraints is able to restrict how each data point is described in the affine subspace with specific local distribution of cluster for guaranting the robustness of learned consensus anchors. RCSC takes full advantages of correlation among consensus anchors, which encourages the grouping effect and groups highly correlated consensus anchors together with the guidance of view-specific projection. The anchor graph construction, partition and robust anchor learning are jointly integrated into a unified framework. It ensures the mutual enhancement for these procedures and helps lead to more discriminative consensus anchors as well as the cluster indicator. We then adopt an alternative optimization strategy for solving the formulated problem. Experiments performed on eight multi-view datasets confirm the superiority of RCSC based on the effectiveness and efficiency.

General Machine Learning · Clustering

Roy Uziel, Irit Chelly, Oren Freifeld, Ari Pakman

Diffusion models, widely recognized for their success in generative tasks, have not yet been applied to clustering. We introduce Clustering via Diffusion (CLUDI), a self-supervised framework that combines the generative power of diffusion models with pre-trained Vision Transformer features to achieve robust and accurate clustering. CLUDI is trained via a teacher–student paradigm: the teacher uses stochastic diffusion-based sampling to produce diverse cluster assignments, which the student refines into stable predictions. This stochasticity acts as a novel data augmentation strategy, enabling CLUDI to uncover intricate structures in high-dimensional data. Extensive evaluations on challenging datasets demonstrate that CLUDI achieves state-of-the-art performance in unsupervised classification, setting new benchmarks in clustering robustness and adaptability to complex data distributions.

General Machine Learning

Milad Khademi Nori, Il-Min Kim, Guanghui Wang

In class-incremental learning (CIL), effective incremental learning strategies are essential to mitigate task confusion and catastrophic forgetting, especially as the number of tasks $t$ increases. Current exemplar replay strategies impose $\mathcal{O}(t)$ memory/compute complexities. We propose an autoencoder-based hybrid replay (AHR) strategy that leverages our new hybrid autoencoder (HAE) to function as a compressor to alleviate the requirement for large memory, achieving $\mathcal{O}(0.1 t)$ at the worst case with the computing complexity of $\mathcal{O}(t)$ while accomplishing state-of-the-art performance. The decoder later recovers the exemplar data stored in the latent space, rather than in raw format. Additionally, HAE is designed for both discriminative and generative modeling, enabling classification and replay capabilities, respectively. HAE adopts the charged particle system energy minimization equations and repulsive force algorithm for the incremental embedding and distribution of new class centroids in its latent space. Our results demonstrate that AHR consistently outperforms recent baselines across multiple benchmarks while operating with the same memory/compute budgets. The source code is included in the supplementary material and will be open-sourced upon publication.

Deep Learning · Everything Else

Mingyu Xing, Lechao Cheng, Shengeng Tang, Yaxiong Wang, Zhun Zhong, Meng Wang

We introduce Knowledge Swapping, a novel task designed to selectively regulate knowledge of a pretrained model by enabling the forgetting of user-specified information, retaining essential knowledge, and acquiring new knowledge simultaneously. By delving into the analysis of knock-on feature hierarchy, we find that incremental learning typically progresses from low-level representations to higher-level semantics, whereas forgetting tends to occur in the opposite direction—starting from high-level semantics and moving down to low-level features. Building upon this, we propose to benchmark the knowledge swapping task with the strategy of Learning Before Forgetting. Comprehensive experiments on various tasks like image classification, object detection, and semantic segmentation validate the effectiveness of the proposed strategy. The source code is available at https://github.com/xingmingyu123456/KnowledgeSwapping.

General Machine Learning · Transfer, Multitask and Meta-learning

Hanmo Liu, Shimin Di, Haoyang LI, Xun Jian, Yue Wang, Lei Chen

Node classification is a key task in temporal graph learning (TGL). Real-life temporal graphs often introduce new node classes over time, but existing TGL methods assume a fixed set of classes. This assumption brings limitations, as updating models with full data is costly, while focusing only on new classes results in forgetting old ones. Graph continual learning (GCL) methods mitigate forgetting using old-class subsets but fail to account for their evolution. We define this novel problem as temporal graph continual learning (TGCL), which focuses on efficiently maintaining up-to-date knowledge of old classes. To tackle TGCL, we propose a selective learning framework that substitutes the old-class data with its subsets, Learning Towards the Future (LTF). We derive an upper bound on the error caused by such replacement and transform it into objectives for selecting and learning subsets that minimize classification error while preserving the distribution of the full old-class data. Experiments on three real-world datasets show that LTF effectively addresses the TGCL challenge.

General Machine Learning · Everything Else

Zhongnian Li, Jinghao Xu, Peng Ying, Meng Wei, Xinzheng Xu

Pre-trained **V**ision-**L**anguage **M**odels (VLMs) exhibit strong zero-shot classification abilities, demonstrating great potential for generating weakly supervised labels. Unfortunately, existing weakly supervised learning methods are short of ability in generating accurate labels via VLMs. In this paper, we propose a novel weakly supervised labeling setting, namely **T**rue-**F**alse **L**abels (TFLs) which can achieve high accuracy when generated by VLMs. The TFL indicates whether an instance belongs to the label, which is randomly and uniformly sampled from the candidate label set. Specifically, we theoretically derive a risk-consistent estimator to explore and utilize the conditional probability distribution information of TFLs. Besides, we propose a convolutional-based **M**ulti-modal **P**rompt **R**etrieving (MRP) method to bridge the gap between the knowledge of VLMs and target learning tasks. Experimental results demonstrate the effectiveness of the proposed TFL setting and MRP learning method. The code to reproduce the experiments is at https://github.com/Tranquilxu/TMP.

Applications · Health / Medicine

Eray Erturk, Fahad Kamran, Salar Abbaspourazad, Sean Jewell, Harsh Sharma, Yujie Li, Sinead Williamson, Nicholas Foti, Joseph Futoma

Wearable devices record physiological and behavioral signals that can improve health predictions. While foundation models are increasingly used for such predictions, they have been primarily applied to low-level sensor data, despite behavioral data often being more informative due to their alignment with physiologically relevant timescales and quantities. We develop foundation models of such behavioral signals using over 2.5B hours of wearable data from 162K individuals, systematically optimizing architectures and tokenization strategies for this unique dataset. Evaluated on 57 health-related tasks, our model shows strong performance across diverse real-world applications including individual-level classification and time-varying health state prediction. The model excels in behavior-driven tasks like sleep prediction, and improves further when combined with representations of raw sensor data. These results underscore the importance of tailoring foundation model design to wearables and demonstrate the potential to enable new health applications.

Theory · Learning Theory

Ilias Diakonikolas, Mingchen Ma, Lisheng Ren, Christos Tzamos

We study the task of Multiclass Linear Classification (MLC) in the distribution-free PAC model with Random Classification Noise (RCN). Specifically, the learner is given a set of labeled examples $(x, y)$, where $x$ is drawn from an unknown distribution on $R^d$ and the labels are generated by a multiclass linear classifier corrupted with RCN. That is, the label $y$ is flipped from $i$ to $j$ with probability $H_{ij}$ according to a known noise matrix $H$ with non-negative separation $\sigma: = \min_{i \neq j} H_{ii}-H_{ij}$. The goal is to compute a hypothesis with small 0-1 error. For the special case of two labels, prior work has given polynomial-time algorithms achieving the optimal error. Surprisingly, little is known about the complexity of this task even for three labels.As our main contribution, we show that the complexity of MLC with RCN becomes drastically different in the presence of three or more labels. Specifically, we prove super-polynomialStatistical Query (SQ) lower bounds for this problem. In more detail, even for three labels and constant separation, we give a super-polynomial lower bound on the complexity of any SQ algorithm achieving optimal error. For a larger number of labels and smaller separation, we show a super-polynomial SQ lower bound even for the weaker goal of achieving any constant factor approximation to the optimal loss or even beating the trivial hypothesis.

Applications · Health / Medicine

Minqi Yu, Jinduo Liu, Junzhong Ji

Deep models are increasingly used to analyze brain graphs for the diagnosis and understanding of brain diseases. However, due to the multi-site data aggregation and individual differences, brain graph datasets exhibit widespread distribution shifts, which impair the model’s generalization ability to the test set, thereby limiting the performance of existing methods. To address these issues, we propose a Causally Invariance-aware Augmentation for brain Graph Contrastive Learning, called CIA-GCL. This method first generates a brain graph by extracting node features based on the topological structure. Then, a learnable brain invariant subgraph is identified based on a causal decoupling approach to capture the maximum label-related invariant information with invariant learning. Around this invariant subgraph, we design a novel invariance-aware augmentation strategy to generate meaningful augmented samples for graph contrast learning. Finally, the extracted invariant subgraph is utilized for brain disease classification, effectively mitigating distribution shifts while also identifying critical local graph structures, enhancing the model’s interpretability. Experiments on three real-world brain disease datasets demonstrate that our method achieves state-of-the-art performance, effectively generalizes to multi-site brain datasets, and provides certain interpretability.

Social Aspects · Robustness

Zeming Wei, Yiwen Guo, Yisen Wang

Adversarial training (AT) has been considered one of the most effective methods for making deep neural networks robust against adversarial attacks, while the training mechanisms and dynamics of AT remain open research problems. In this paper, we present a novel perspective on studying AT through the lens of class-wise feature attribution. Specifically, we identify the impact of a key family of features on AT that are shared by multiple classes, which we call cross-class features. These features are typically useful for robust classification, which we offer theoretical evidence to illustrate through a synthetic data model. Through systematic studies across multiple model architectures and settings, we find that during the initial stage of AT, the model tends to learn more cross-class features until the best robustness checkpoint. As AT further squeezes the training robust loss and causes robust overfitting, the model tends to make decisions based on more class-specific features. Based on these discoveries, we further provide a unified view of two existing properties of AT, including the advantage of soft-label training and robust overfitting. Overall, these insights refine the current understanding of AT mechanisms and provide new perspectives on studying them. Our code is available at https://github.com/PKU-ML/Cross-Class-Features-AT.