GenAI4ELab/papercli-papers huggingface dataset:
Point Cloud Dataset Distillation
Authors: Deyu Bo; Xinchao Wang
Venue: ICML 2025 (ICML 2025 poster)

Abstract: This study introduces dataset distillation (DD) tailored for 3D data, particularly point clouds. DD aims to substitute large-scale real datasets with a small set of synthetic samples while preserving model performance. Existing methods mainly focus on structured data such as images. However, adapting DD for unstructured point clouds poses challenges due to their diverse orientations and resolutions in 3D space. To address these challenges, we theoretically demonstrate the importance of matching rotation-invariant features between real and synthetic data for 3D distillation. We further propose a plug-and-play point cloud rotator to align the point cloud to a canonical orientation, facilitating the learning of rotation-invariant features by all point cloud models. Furthermore, instead of optimizing fixed-size synthetic data directly, we devise a point-wise generator to produce point clouds at various resolutions based on the sampled noise amount. Compared to conventional DD methods, the proposed approach, termed DD3D, enables efficient training on low-resolution point clouds while generating high-resolution data for evaluation, thereby significantly reducing memory requirements and enhancing model scalability. Extensive experiments validate the effectiveness of DD3D in shape classification and part segmentation tasks across diverse scenarios, such as cross-architecture and cross-resolution settings.
Learning Input Encodings for Kernel-Optimal Implicit Neural Representations
Authors: Zhemin Li; Liyuan Ma; Hongxia Wang; Yaoyun Zeng; Xiaolong Han
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Implicit Neural Representations (INRs) rely heavily on architectural choices for good generalization. Developing theoretically grounded approaches for architecture design remains an active area of research. Via theoretical analysis of the infinite-width limit, we establish a methodology that characterizes INR's generalization by means of kernel alignment. We first formulate the optimal kernel that minimizes pointwise expected squared error, then demonstrate that the Neural Tangent Kernel of the composed function (INR with input encoding) can approximate any positive semidefinite dot-product kernels through input feature mapping adjustments. Building upon these insights, we propose a Kernel Alignment Regularizer (KAR) that naturally integrates with existing INR systems to enhance kernel alignment. We further develop Plug-in Encoding for Aligned Kernels (PEAK) to refine INR models with KAR using learnable input encoding. This work contributes to the ongoing research efforts in bridging theory and practice for principled INR architecture design. Code is available at https://github.com/lizhemin15/KAR.
Efficient Network Automatic Relevance Determination
Authors: Hongwei Zhang; Ziqi Ye; Xinyuan Wang; Xin Guo; Zenglin Xu; Yuan Cheng; Zixin Hu; Yuan Qi
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We propose Network Automatic Relevance Determination (NARD), an extension of ARD for linearly probabilistic models, to simultaneously model sparse relationships between inputs $X \in \mathbb R^{d \times N}$ and outputs $Y \in \mathbb R^{m \times N}$, while capturing the correlation structure among the $Y$. NARD employs a matrix normal prior which contains a sparsity-inducing parameter to identify and discard irrelevant features, thereby promoting sparsity in the model. Algorithmically, it iteratively updates both the precision matrix and the relationship between $Y$ and the refined inputs. To mitigate the computational inefficiencies of the $\mathcal O(m^3 + d^3)$ cost per iteration, we introduce Sequential NARD, which evaluates features sequentially, and a Surrogate Function Method, leveraging an efficient approximation of the marginal likelihood and simplifying the calculation of determinant and inverse of an intermediate matrix. Combining the Sequential update with the Surrogate Function method further reduces computational costs. The computational complexity per iteration for these three methods is reduced to $\mathcal O(m^3+p^3)$, $\mathcal O(m^3 + d^2)$, $\mathcal O(m^3+p^2)$ respectively, where $p \ll d$ is the final number of features in the model. Our methods demonstrate significant improvements in computational efficiency with comparable performance on both synthetic and real-world datasets.
Label Distribution Propagation-based Label Completion for Crowdsourcing
Authors: Tong Wu; Liangxiao Jiang; Wenjun Zhang; Chaoqun Li
Venue: ICML 2025 (ICML 2025 poster)

Abstract: In real-world crowdsourcing scenarios, most workers often annotate a few instances only, which results in a significantly sparse crowdsourced label matrix and subsequently harms the performance of label integration algorithms. Recent work called worker similarity-based label completion (WSLC) has been proven to be an effective algorithm to addressing this issue. However, WSLC considers solely the correlation of the labels annotated by different workers on per individual instance while totally ignoring the correlation of the labels annotated by different workers among similar instances. To fill this gap, we propose a novel label distribution propagation-based label completion (LDPLC) algorithm. At first, we use worker similarity weighted majority voting to initialize a label distribution for each missing label. Then, we design a label distribution propagation algorithm to enable each missing label of each instance to iteratively absorb its neighbors’ label distributions. Finally, we complete each missing label based on its converged label distribution. Experimental results on both real-world and simulated crowdsourced datasets show that LDPLC significantly outperforms WSLC in enhancing the performance of label integration algorithms. Our codes and datasets are available at https://github.com/jiangliangxiao/LDPLC.
TLLC: Transfer Learning-based Label Completion for Crowdsourcing
Authors: Wenjun Zhang; Liangxiao Jiang; Chaoqun Li
Venue: ICML 2025 (ICML 2025 spotlightposter)

Abstract: Label completion serves as a preprocessing approach to handling the sparse crowdsourced label matrix problem, significantly boosting the effectiveness of the downstream label aggregation. In recent advances, worker modeling has been proved to be a powerful strategy to further improve the performance of label completion. However, in real-world scenarios, workers typically annotate only a few instances, leading to insufficient worker modeling and thus limiting the improvement of label completion. To address this issue, we propose a novel transfer learning-based label completion (TLLC) method. Specifically, we first identify all high-confidence instances from the whole crowdsourced data as a source domain and use it to pretrain a Siamese network. The abundant annotated instances in the source domain provide essential knowledge for worker modeling. Then, we transfer the pretrained network to the target domain with the instances annotated by each worker separately, ensuring worker modeling captures unique characteristics of each worker. Finally, we leverage the new embeddings learned by the transferred network to complete each worker’s missing labels. Extensive experiments on several widely used real-world datasets demonstrate the effectiveness of TLLC. Our codes and datasets are available at https://github.com/jiangliangxiao/TLLC.
On the Out-of-Distribution Generalization of Self-Supervised Learning
Authors: Wenwen Qiang; Jingyao Wang; Zeen Song; Jiangmeng Li; Changwen Zheng
Venue: ICML 2025 (ICML 2025 poster)

Abstract: In this paper, we focus on the out-of-distribution (OOD) generalization of self-supervised learning (SSL). By analyzing the mini-batch construction during the SSL training phase, we first give one plausible explanation for SSL having OOD generalization. Then, from the perspective of data generation and causal inference, we analyze and conclude that SSL learns spurious correlations during the training process, which leads to a reduction in OOD generalization. To address this issue, we propose a post-intervention distribution (PID) grounded in the Structural Causal Model. PID offers a scenario where the spurious variable and label variable is mutually independent. Besides, we demonstrate that if each mini-batch during SSL training satisfies PID, the resulting SSL model can achieve optimal worst-case OOD performance. This motivates us to develop a batch sampling strategy that enforces PID constraints through the learning of a latent variable model. Through theoretical analysis, we demonstrate the identifiability of the latent variable model and validate the effectiveness of the proposed sampling strategy. Experiments conducted on various downstream OOD tasks demonstrate the effectiveness of the proposed sampling strategy.
Attention-Only Transformers via Unrolled Subspace Denoising
Authors: Peng Wang; Yifu Lu; Yaodong Yu; Druv Pai; Qing Qu; Yi Ma
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Despite the popularity of transformers in practice, their architectures are empirically designed and neither mathematically justified nor interpretable. Moreover, as indicated by many empirical studies, some components of transformer architectures may be redundant. To derive a fully interpretable transformer architecture with only necessary components, we contend that the goal of representation learning is to compress a set of noisy initial token representations towards a mixture of low-dimensional subspaces. To compress these noisy token representations, an associated denoising operation naturally takes the form of a multi-head (subspace) self-attention. By unrolling such iterative denoising operations into a deep network, we arrive at a highly compact architecture that consists of \textit{only} self-attention operators with skip connections at each layer. Moreover, we show that each layer performs highly efficient denoising: it improves the signal-to-noise ratio of token representations \textit{at a linear rate} with respect to the number of layers. Despite its simplicity, extensive experiments on vision and language tasks demonstrate that such a transformer achieves performance close to that of standard transformer architectures such as GPT-2 and CRATE.
Sum-of-Parts: Self-Attributing Neural Networks with End-to-End Learning of Feature Groups
Authors: Weiqiu You; Helen Qu; Marco Gatti; Bhuvnesh Jain; Eric Wong
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Self-attributing neural networks (SANNs) present a potential path towards interpretable models for high-dimensional problems, but often face significant trade-offs in performance. In this work, we formally prove a lower bound on errors of per-feature SANNs, whereas group-based SANNs can achieve zero error and thus high performance. Motivated by these insights, we propose Sum-of-Parts (SOP), a framework that transforms any differentiable model into a group-based SANN, where feature groups are learned end-to-end without group supervision. SOP achieves state-of-the-art performance for SANNs on vision and language tasks, and we validate that the groups are interpretable on a range of quantitative and semantic metrics. We further validate the utility of SOP explanations in model debugging and cosmological scientific discovery.
Certifiably Robust Model Evaluation in Federated Learning under Meta-Distributional Shifts
Authors: Amir Najafi; Samin Mahdizadeh Sani; Farzan Farnia
Venue: ICML 2025 (ICML 2025 poster)

Abstract: We address the challenge of certifying the performance of a federated learning model on an unseen target network using only measurements from the source network that trained the model. Specifically, consider a source network "A" with $K$ clients, each holding private, non-IID datasets drawn from heterogeneous distributions, modeled as samples from a broader meta-distribution $\mu$. Our goal is to provide certified guarantees for the model’s performance on a different, unseen network "B", governed by an unknown meta-distribution $\mu'$, assuming the deviation between $\mu$ and $\mu'$ is bounded—either in Wasserstein distance or an $f$-divergence. We derive worst-case uniform guarantees for both the model’s average loss and its risk CDF, the latter corresponding to a novel, adversarially robust version of the Dvoretzky–Kiefer–Wolfowitz (DKW) inequality. In addition, we show how the vanilla DKW bound enables principled certification of the model's true performance on unseen clients within the same (source) network. Our bounds are efficiently computable, asymptotically minimax optimal, and preserve clients' privacy.
We also establish non-asymptotic generalization bounds that converge to zero as $K$ grows and the minimum per-client sample size exceeds $\mathcal{O}(\log K)$. Empirical evaluations confirm the practical utility of our bounds across real-world tasks. The project code is available at: github.com/samin-mehdizadeh/Robust-Evaluation-DKW
SBGD: Improving Graph Diffusion Generative Model via Stochastic Block Diffusion
Authors: Junwei Su; shan Wu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: Graph diffusion generative models (GDGMs) have emerged as powerful tools for generating high-quality graphs. However, their broader adoption faces challenges in \emph{scalability and size generalization}. GDGMs struggle to scale to large graphs due to their high memory requirements, as they typically operate in the full graph space, requiring the entire graph to be stored in memory during training and inference. This constraint limits their feasibility for large-scale real-world graphs. GDGMs also exhibit poor size generalization, with limited ability to generate graphs of sizes different from those in the training data, restricting their adaptability across diverse applications. To address these challenges, we propose the stochastic block graph diffusion (SBGD) model, which refines graph representations into a block graph space. This space incorporates structural priors based on real-world graph patterns, significantly reducing memory complexity and enabling scalability to large graphs. The block representation also improves size generalization by capturing fundamental graph structures.   Empirical results show that SBGD achieves significant memory improvements (up to 6$\times$) while maintaining comparable or even superior graph generation performance relative to state-of-the-art methods. Furthermore, experiments demonstrate that SBGD better generalizes to unseen graph sizes. The significance of SBGD extends beyond being a scalable and effective GDGM; \emph{it also exemplifies the principle of modularization in generative modelling, offering a new avenue for exploring generative models by decomposing complex tasks into more manageable components.}
On the Interplay between Graph Structure and Learning Algorithms in Graph Neural Networks
Authors: Junwei Su; Chuan Wu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: This paper studies the interplay between learning algorithms and graph structure for graph neural networks (GNNs). Existing theoretical studies on the learning dynamics of GNNs primarily focus on the convergence rates of learning algorithms under the interpolation regime (noise-free) and offer only a crude connection between these dynamics and the actual graph structure (e.g., maximum degree). This paper aims to bridge this gap by investigating the excessive risk (generalization performance) of learning algorithms in GNNs within the generalization regime (with noise). Specifically, we extend the conventional settings from the learning theory literature to the context of GNNs and examine how graph structure influences the performance of learning algorithms such as stochastic gradient descent (SGD) and Ridge regression. Our study makes several key contributions toward understanding the interplay between graph structure and learning in GNNs. First, we derive the excess risk profiles of SGD and Ridge regression in GNNs and connect these profiles to the graph structure through spectral graph theory. With this established framework, we further explore how different graph structures (regular vs. power-law) impact the performance of these algorithms through comparative analysis. Additionally, we extend our analysis to multi-layer linear GNNs, revealing an increasing non-isotropic effect on the excess risk profile, thereby offering new insights into the over-smoothing issue in GNNs from the perspective of learning algorithms. Our empirical results align with our theoretical predictions, \emph{collectively showcasing a coupling relation among graph structure, GNNs and learning algorithms, and providing insights on GNN algorithm design and selection in practice.}
A Non-Asymptotic Convergent Analysis for Scored-Based Graph Generative Model via a System of Stochastic Differential Equations
Authors: Junwei Su; Chuan Wu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: This paper investigates the convergence behavior of score-based graph generative models (SGGMs). Unlike common score-based generative models (SGMs) that are governed by a single stochastic differential equation (SDE), SGGMs utilize a system of dependent SDEs, where the graph structure and node features are modeled separately, while accounting for their inherent dependencies. This distinction makes existing convergence analyses from SGMs inapplicable for SGGMs. In this work, we present the first convergence analysis for SGGMs, focusing on the convergence bound (the risk of generative error) across three key graph generation paradigms: (1) feature generation with a fixed graph structure, (2) graph structure generation with fixed node features, and (3) joint generation of both graph structure and node features. Our analysis reveals several unique factors specific to SGGMs (e.g., the topological properties of the graph structure) which significantly affect the convergence bound. Additionally, we offer theoretical insights into the selection of hyperparameters (e.g., sampling steps and diffusion length) and advocate for techniques like normalization to improve convergence. To validate our theoretical findings, we conduct a controlled empirical study using a synthetic graph model. The results in this paper contribute to a deeper theoretical understanding of SGGMs and offer practical guidance for designing more efficient and effective SGGMs.
Adversarial Combinatorial Semi-bandits with Graph Feedback
Authors: Yuxiao Wen
Venue: ICML 2025 (ICML 2025 poster)

Abstract: In combinatorial semi-bandits, a learner repeatedly selects from a combinatorial decision set of arms, receives the realized sum of rewards, and observes the rewards of the individual selected arms as feedback. In this paper, we extend this framework to include \emph{graph feedback}, where the learner observes the rewards of all neighboring arms of the selected arms in a feedback graph $G$. We establish that the optimal regret over a time horizon $T$ scales as $\widetilde{\Theta}(S\sqrt{T}+\sqrt{\alpha ST})$, where $S$ is the size of the combinatorial decisions and $\alpha$ is the independence number of $G$. This result interpolates between the known regrets $\widetilde\Theta(S\sqrt{T})$ under full information (i.e., $G$ is complete) and $\widetilde\Theta(\sqrt{KST})$ under the semi-bandit feedback (i.e., $G$ has only self-loops), where $K$ is the total number of arms. A key technical ingredient is to realize a convexified action using a random decision vector with negative correlations. We also show that online stochastic mirror descent (OSMD) that only realizes convexified actions in expectation is suboptimal. In addition, we describe the problem of combinatorial semi-bandits with general capacity and apply our results to derive an improved regret upper bound, which may be of independent interest.
Understanding the Skill Gap in Recurrent Language Models: The Role of the Gather-and-Aggregate Mechanism
Authors: Aviv Bick; Eric P. Xing; Albert Gu
Venue: ICML 2025 (ICML 2025 poster)

Abstract: State-space models (SSMs) offer efficient alternatives to Transformers for long sequences, but their fixed-size recurrent state limits capability on algorithmic tasks, such as retrieving past context.
In this work, we examine how in-context retrieval operates in Transformer- and SSM-based language models and find that both rely on a Gather-and-Aggregate (G&A) mechanism:
a Gather Head extracts relevant information from context, which an Aggregate Head integrates into representation.
In both architectures, G&A concentrates in a few heads, forming bottlenecks even for simple retrieval.
For example, disabling a single Gather or Aggregate Head in a pruned Llama-3.1-8B impairs retrieving the correct answer letter in MMLU, reducing its accuracy from 66% to 25%.
Moreover, this retrieval bottleneck can obscure knowledge demands of tasks as the pruned model succeeds on MMLU with functioning G&A heads yet fails on other knowledge benchmarks.
The bottleneck similarly extends to tasks where SSMs typically underperform, like GSM8K, BBH, and dialogue.
We show that SSMs' retrieval challenges manifest in these heads, creating smoother attention patterns instead of the sharp transitions effective G&A requires.
Thus, the Transformer-SSM retrieval gap exists in just a few heads, rather than the entire language model.
% Result 3: Analyzing Hybrid models
This suggests a unified explanation for Transformer vs. SSM performance gap while showing how to merge their strengths.
We find that pretrained hybrid models, where SSMs are combined with attention layers, delegate the role of Aggregate Heads to attention.
Similarly, replacing a single G&A head in a pretrained SSM with an attention variant boosts retrieval and benchmark scores.
An Interpretable N-gram Perplexity Threat Model for Large Language Model Jailbreaks
Authors: Valentyn Boreiko; Alexander Panfilov; Vaclav Voracek; Matthias Hein; Jonas Geiping
Venue: ICML 2025 (ICML 2025 poster)

Abstract: A plethora of jailbreaking attacks have been proposed to obtain harmful responses from safety-tuned LLMs. These methods largely succeed in coercing the target output in their original settings, but their attacks vary substantially in fluency and computational effort. In this work, we propose a unified threat model for the principled comparison of these methods.
Our threat model checks if a given jailbreak is likely to occur in the distribution of text. For this, we build an N-gram language model on 1T tokens, which, unlike model-based perplexity, allows for an LLM-agnostic, nonparametric, and inherently interpretable evaluation. We adapt popular attacks to this threat model, and, for the first time, benchmark these attacks on equal footing with it. After an extensive comparison, we find attack success rates against safety-tuned modern models to be lower than previously presented and that attacks based on discrete optimization significantly outperform recent LLM-based attacks. Being inherently interpretable, our threat model allows for a comprehensive analysis and comparison of jailbreak attacks. We find that effective attacks exploit and abuse infrequent bigrams, either selecting the ones absent from real-world text or rare ones, e.g., specific to Reddit or code datasets.