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Graph classification is a fundamental task in domains ranging from molecular property prediction to materials design. While graph neural networks (GNNs) achieve strong performance by learning expressive representations via message passing,…

机器学习 · 计算机科学 2025-12-04 Hamed Poursiami , Shay Snyder , Guojing Cong , Thomas Potok , Maryam Parsa

Message-Passing Monte Carlo (MPMC) was recently introduced as a novel low-discrepancy sampling approach leveraging tools from geometric deep learning. While originally designed for generating uniform point sets, we extend this framework to…

机器学习 · 计算机科学 2025-03-28 Nathan Kirk , T. Konstantin Rusch , Jakob Zech , Daniela Rus

While loopy belief propagation (LBP) performs reasonably well for inference in some Gaussian graphical models with cycles, its performance is unsatisfactory for many others. In particular for some models LBP does not converge, and in…

机器学习 · 统计学 2015-05-28 Ying Liu , Venkat Chandrasekaran , Animashree Anandkumar , Alan S. Willsky

The phenomenon of linear mode connectivity (LMC) links several aspects of deep learning, including training stability under noisy stochastic gradients, the smoothness and generalization of local minima (basins), the similarity and…

机器学习 · 计算机科学 2025-11-07 C. Hepburn , T. Zielke , A. P. Raulf

Mini-batch training of Graph Neural Networks (GNNs) is fundamentally different from training on i.i.d. data: sampling a subgraph alters the topology and introduces boundary effects, leading prior work to develop structure-aware samplers…

机器学习 · 计算机科学 2026-05-22 Clement Wang , Antoine Vialle , Robin Vaysse , Thomas Bonald

As much as Graph Convolutional Networks (GCNs) have shown tremendous success in recommender systems and collaborative filtering (CF), the mechanism of how they, especially the core components (\textit{i.e.,} neighborhood aggregation)…

信息检索 · 计算机科学 2022-04-26 Shaowen Peng , Kazunari Sugiyama , Tsunenori Mine

Graph Convolutional Networks (GCNs) and their variants have experienced significant attention and have become the de facto methods for learning graph representations. GCNs derive inspiration primarily from recent deep learning approaches,…

机器学习 · 计算机科学 2019-06-21 Felix Wu , Tianyi Zhang , Amauri Holanda de Souza , Christopher Fifty , Tao Yu , Kilian Q. Weinberger

Graph neural networks (GNNs) are widely used for learning on graph datasets derived from various real-world scenarios. Learning from extremely large graphs requires distributed training, and mini-batching with sampling is a popular approach…

Most state-of-the-art Graph Neural Networks (GNNs) can be defined as a form of graph convolution which can be realized by message passing between direct neighbors or beyond. To scale such GNNs to large graphs, various neighbor-, layer-, or…

机器学习 · 计算机科学 2021-10-28 Mucong Ding , Kezhi Kong , Jingling Li , Chen Zhu , John P Dickerson , Furong Huang , Tom Goldstein

Heterogeneous graph neural networks (HGNNs) have demonstrated their superiority in exploiting auxiliary information for recommendation tasks. However, graphs constructed using meta-paths in HGNNs are usually too dense and contain a large…

信息检索 · 计算机科学 2025-06-02 Lei Sang , Yu Wang , Yiwen Zhang

Pre-trained graph neural networks (GNNs) transfer well, but adapting them to downstream tasks remains challenging due to mismatches between pre-training objectives and task requirements. Graph prompt tuning offers a parameter-efficient…

机器学习 · 计算机科学 2026-02-06 Long D. Nguyen , Binh P. Nguyen

The graph convolution network (GCN) is a widely-used facility to realize graph-based semi-supervised learning, which usually integrates node features and graph topologic information to build learning models. However, as for multi-label…

机器学习 · 计算机科学 2019-07-15 Kaisheng Gao , Jing Zhang , Cangqi Zhou

We consider the estimation of an i.i.d. (possibly non-Gaussian) vector $\xbf \in \R^n$ from measurements $\ybf \in \R^m$ obtained by a general cascade model consisting of a known linear transform followed by a probabilistic componentwise…

信息论 · 计算机科学 2012-12-04 Ulugbek S. Kamilov , Sundeep Rangan , Alyson K. Fletcher , Michael Unser

We present an exclusion process based approach for sampling densest $k$-sub-graphs from regular graphs $L$ with connected complement. By interpreting an exclusion process as a Markov chain on a corresponding Token Graph $\mathfrak{L}_k$, we…

概率论 · 数学 2023-01-12 Jens Walter Fischer

In recent years, contrastive learning achieves impressive results on self-supervised visual representation learning, but there still lacks a rigorous understanding of its learning dynamics. In this paper, we show that if we cast a…

机器学习 · 计算机科学 2023-03-09 Yifei Wang , Qi Zhang , Tianqi Du , Jiansheng Yang , Zhouchen Lin , Yisen Wang

A new class of Markov chain Monte Carlo (MCMC) algorithms, based on simulating piecewise deterministic Markov processes (PDMPs), have recently shown great promise: they are non-reversible, can mix better than standard MCMC algorithms, and…

统计计算 · 统计学 2020-10-23 Augustin Chevallier , Paul Fearnhead , Matthew Sutton

A popular approach to the MAP inference problem in graphical models is to minimize an upper bound obtained from a dual linear programming or Lagrangian relaxation by (block-)coordinate descent. This is also known as convex/convergent…

人工智能 · 计算机科学 2024-06-06 Vaclav Voracek , Tomas Werner

Graph representation learning has attracted lots of attention recently. Existing graph neural networks fed with the complete graph data are not scalable due to limited computation and memory costs. Thus, it remains a great challenge to…

机器学习 · 计算机科学 2020-11-24 Yizhu Jiao , Yun Xiong , Jiawei Zhang , Yao Zhang , Tianqi Zhang , Yangyong Zhu

Graph Neural Networks (GNNs) have become a building block in graph data processing, with wide applications in critical domains. The growing needs to deploy GNNs in high-stakes applications necessitate explainability for users in the…

Uniform sampling from graphical realizations of a given degree sequence is a fundamental component in simulation-based measurements of network observables, with applications ranging from epidemics, through social networks to Internet…

物理与社会 · 物理学 2010-04-14 Charo I. Del Genio , Hyunju Kim , Zoltan Toroczkai , Kevin E. Bassler