Towards Quantifying Long-Range Interactions in Graph Machine Learning: a Large Graph Dataset and a Measurement

Authors: Liang, Huidong, Borde, Haitz Sáez de Ocáriz, Sripathmanathan, Baskaran, Bronstein, Michael, Dong, Xiaowen

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2503.09008

Scalable Equilibrium Sampling with Sequential Boltzmann Generators

Authors: Tan, Charlie B., Bose, Avishek Joey, Lin, Chen, Klein, Leon, Bronstein, Michael M., Tong, Alexander

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2502.18462

Position: Graph Learning Will Lose Relevance Due To Poor Benchmarks

Authors: Bechler-Speicher, Maya, Finkelshtein, Ben, Frasca, Fabrizio, Müller, Luis, Tönshoff, Jan, Siraudin, Antoine, Zaverkin, Viktor, Bronstein, Michael M., Niepert, Mathias, Perozzi, Bryan, Galkin, Mikhail, Morris, Christopher

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Computer Science - Neural and Evolutionary Computing

Access URL: http://arxiv.org/abs/2502.14546

How Expressive are Knowledge Graph Foundation Models?

Authors: Huang, Xingyue, Barceló, Pablo, Bronstein, Michael M., Ceylan, İsmail İlkan, Galkin, Mikhail, Reutter, Juan L, Orth, Miguel Romero

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2502.13339

On Vanishing Gradients, Over-Smoothing, and Over-Squashing in GNNs: Bridging Recurrent and Graph Learning

Authors: Arroyo, Álvaro, Gravina, Alessio, Gutteridge, Benjamin, Barbero, Federico, Gallicchio, Claudio, Dong, Xiaowen, Bronstein, Michael, Vandergheynst, Pierre

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2502.10818

Balancing Efficiency and Expressiveness: Subgraph GNNs with Walk-Based Centrality

Authors: Southern, Joshua, Eitan, Yam, Bar-Shalom, Guy, Bronstein, Michael, Maron, Haggai, Frasca, Fabrizio

Subject Terms: Computer Science - Machine Learning, Computer Science - Neural and Evolutionary Computing

Access URL: http://arxiv.org/abs/2501.03113

OpenQDC: Open Quantum Data Commons

Authors: Gabellini, Cristian, Shenoy, Nikhil, Thaler, Stephan, Canturk, Semih, McNeela, Daniel, Beaini, Dominique, Bronstein, Michael, Tossou, Prudencio

Subject Terms: Physics - Chemical Physics, Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2411.19629

Enhancing the Expressivity of Temporal Graph Networks through Source-Target Identification

Authors: Tjandra, Benedict Aaron, Barbero, Federico, Bronstein, Michael

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2411.03596

Scalable Message Passing Neural Networks: No Need for Attention in Large Graph Representation Learning

Authors: Borde, Haitz Sáez de Ocáriz, Lukoianov, Artem, Kratsios, Anastasis, Bronstein, Michael, Dong, Xiaowen

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2411.00835

Homomorphism Counts as Structural Encodings for Graph Learning

Authors: Bao, Linus, Jin, Emily, Bronstein, Michael, Ceylan, İsmail İlkan, Lanzinger, Matthias

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2410.18676

Relaxed Equivariance via Multitask Learning

Authors: Elhag, Ahmed A., Rusch, T. Konstantin, Di Giovanni, Francesco, Bronstein, Michael

Subject Terms: Computer Science - Machine Learning

Access URL: http://arxiv.org/abs/2410.17878

Steering Masked Discrete Diffusion Models via Discrete Denoising Posterior Prediction

Authors: Rector-Brooks, Jarrid, Hasan, Mohsin, Peng, Zhangzhi, Quinn, Zachary, Liu, Chenghao, Mittal, Sarthak, Dziri, Nouha, Bronstein, Michael, Bengio, Yoshua, Chatterjee, Pranam, Tong, Alexander, Bose, Avishek Joey

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2410.08134

Neural Spacetimes for DAG Representation Learning

Authors: Borde, Haitz Sáez de Ocáriz, Kratsios, Anastasis, Law, Marc T., Dong, Xiaowen, Bronstein, Michael

Subject Terms: Computer Science - Machine Learning, Computer Science - Discrete Mathematics, Computer Science - Neural and Evolutionary Computing, Mathematics - Metric Geometry, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2408.13885

Topological Blindspots: Understanding and Extending Topological Deep Learning Through the Lens of Expressivity

Authors: Eitan, Yam, Gelberg, Yoav, Bar-Shalom, Guy, Frasca, Fabrizio, Bronstein, Michael, Maron, Haggai

Subject Terms: Computer Science - Machine Learning, Mathematics - Algebraic Topology, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2408.05486

DyGMamba: Efficiently Modeling Long-Term Temporal Dependency on Continuous-Time Dynamic Graphs with State Space Models

Authors: Ding, Zifeng, Li, Yifeng, He, Yuan, Norelli, Antonio, Wu, Jingcheng, Tresp, Volker, Ma, Yunpu, Bronstein, Michael

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence

Access URL: http://arxiv.org/abs/2408.04713

On the Impact of Sample Size in Reconstructing Noisy Graph Signals: A Theoretical Characterisation

Authors: Sripathmanathan, Baskaran, Dong, Xiaowen, Bronstein, Michael

Subject Terms: Electrical Engineering and Systems Science - Signal Processing, Computer Science - Social and Information Networks

Access URL: http://arxiv.org/abs/2406.16816

On the Limitations of Fractal Dimension as a Measure of Generalization

Authors: Tan, Charlie B., García-Redondo, Inés, Wang, Qiquan, Bronstein, Michael M., Monod, Anthea

Subject Terms: Computer Science - Machine Learning, Computer Science - Artificial Intelligence, Mathematics - Dynamical Systems, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2406.02234

Learning on Large Graphs using Intersecting Communities

Authors: Finkelshtein, Ben, Ceylan, İsmail İlkan, Bronstein, Michael, Levie, Ron

Subject Terms: Computer Science - Machine Learning, Computer Science - Social and Information Networks, Statistics - Machine Learning

Access URL: http://arxiv.org/abs/2405.20724

Fully-inductive Node Classification on Arbitrary Graphs

Authors: Zhao, Jianan, Zhu, Zhaocheng, Galkin, Mikhail, Mostafa, Hesham, Bronstein, Michael, Tang, Jian

Subject Terms: Computer Science - Machine Learning, Computer Science - Social and Information Networks

Access URL: http://arxiv.org/abs/2405.20445

Sequence-Augmented SE(3)-Flow Matching For Conditional Protein Backbone Generation

Authors: Huguet, Guillaume, Vuckovic, James, Fatras, Kilian, Thibodeau-Laufer, Eric, Lemos, Pablo, Islam, Riashat, Liu, Cheng-Hao, Rector-Brooks, Jarrid, Akhound-Sadegh, Tara, Bronstein, Michael, Tong, Alexander, Bose, Avishek Joey

Subject Terms: Computer Science - Machine Learning, Quantitative Biology - Biomolecules

Access URL: http://arxiv.org/abs/2405.20313