Benchmarks and evaluation

Leaderboards, eval harnesses and ablations — the contested business of deciding which model is actually better.

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arXiv Machine Learning
Jun 5

Automated Proving of Shannon-Type Entropy Inequalities via Fine-Tuned Language Models and Guided Tree Search

arXiv:2606. 05729v1 Announce Type: cross Abstract: Proving Shannon-type entropy inequalities is a fundamental task in information theory that often requires constructing non-trivial linear combinations of known constraints, which is a combinatorial search problem that scales poorly with the number of random variables.

By Shing Yin Wong, Shaocheng Liu, Linqi Song, Amin Gohari, Cheuk Ting Li
arXiv Machine Learning
Jun 5

PF$\Delta$: A Benchmark Dataset for Power Flow under Load, Generation, and Topology Variations

arXiv:2510. 22048v4 Announce Type: replace Abstract: Power flow (PF) calculations are the backbone of real-time grid operations, across workflows such as contingency analysis (where repeated PF evaluations assess grid security under outages) and topology optimization (which involves PF-based searches over combinatorially large action spaces).

By Ana K. Rivera, Anvita Bhagavathula, Alvaro Carbonero, Priya Donti
arXiv Machine Learning
Jun 5

HOPSE: Scalable Higher-Order Positional and Structural Encoder for Combinatorial Representations

arXiv:2505. 15405v3 Announce Type: replace Abstract: While Graph Neural Networks (GNNs) have proven highly effective at modeling relational data, pairwise connections cannot fully capture multi-way relationships naturally present in complex real-world systems.

By Guillermo Bern\'ardez, Marco Montagna, Louis Van Langendonck, Martin Carrasco, Amirreza Akbari, Louisa Cornelis, Mathilde Papillon, Pere Barlet-Ros, Nina Miolane, Lev Telyatnikov
arXiv Machine Learning
Jun 5

The Post-GCN Decade Revisited: Curvature-Stratified Evaluation of Relational Learning

arXiv:2606. 06397v1 Announce Type: new Abstract: Current evaluation practices in relational learning rely heavily on flat leaderboards that average performance across heterogeneous datasets, implicitly assuming a uniform underlying structure.

By Shuo Wang, Xiangyu Wang, Quanxin Wang, Bailin Wu, Bokui Wang, Shunyang Huang, Boyan Deng, Haonan Liu, Ruiyi Fang, Zhenxiang Xu, Boyu Wang, Zhao Kang
arXiv Machine Learning
Jun 5

An accurate nucleic acid-small molecule docking framework via geometric deep learning with large-scale pretraining

arXiv:2606. 05198v1 Announce Type: cross Abstract: Nucleic acids are increasingly recognized as therapeutic targets beyond conventional protein-centered drug discovery, yet accurate and efficient docking of small molecules to nucleic acid structures remains challenging.

By Shi Li (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China), Xujun Zhang (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China), Mingquan Liu (Faculty of Health Sciences, University of Macau, Macau SAR, China), Hui Zhang (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Shanghai Innovation Institute, Shanghai, China), Shuoying Jia (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Shanghai Innovation Institute, Shanghai, China), Yu Kang (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Shanghai Innovation Institute, Shanghai, China), Tingjun Hou (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development, Jinhua Institute of Zhejiang University, Zhejiang, China), Peichen Pan (College of Pharmaceutical Sciences, Zhejiang University, Hangzhou, Zhejiang, P. R. China, Zhejiang Provincial Key Laboratory for Intelligent Drug Discovery and Development, Jinhua Institute of Zhejiang University, Zhejiang, China)
arXiv Machine Learning
Jun 5

Dominant-Layer ZO: A Single Layer Dominates Zeroth-Order Fine-Tuning of LLMs

arXiv:2606. 05516v1 Announce Type: new Abstract: Zeroth-order (ZO) optimization enables memory-efficient fine-tuning of large language models (LLMs) using only forward passes, but it remains unclear how useful adaptation is distributed across layers.

By Wanhao Yu, Ziyan Wang, Zheng Wang, Abeer Matar Almalky, Yihang Zuo, Shuteng Niu, Sen Lin, Adnan Siraj Rakin, Deliang Fan, Li Yang
arXiv Machine Learning
Jun 5

Wall Shear Stress Reconstruction from Concentration: Differentiable Physics and Physics-Informed Neural Networks

arXiv:2606. 06313v1 Announce Type: cross Abstract: Wall shear stress (WSS) governs near-wall transport dynamics and is a key hemodynamic indicator in cardiovascular flows, yet remains difficult to infer accurately due to the need for precise computation of near-wall velocity gradients.

By Mahmoud Elhadidy, Siva Viknesh, Roshan M. D'Souza, Amirhossein Arzani
arXiv Machine Learning
Jun 5

DAS-PINNs for high-dimensional partial differential equations: extending deep adaptive sampling to spacetime domains

arXiv:2606. 06314v1 Announce Type: cross Abstract: Time-dependent high-dimensional partial differential equations (PDEs) with spatially localised and dynamically evolving solutions pose a fundamental challenge for physics-informed neural networks (PINNs), as uniform collocation sampling becomes increasingly ineffective in high-dimensional spatiotemporal domains.

By Anshima Singh, David J. Silvester
arXiv Machine Learning
Jun 5

GOTabPFN: From Feature Ordering to Compact Tokenization for Tabular Foundation Models on High-Dimensional Data

arXiv:2606. 05441v1 Announce Type: new Abstract: We investigate how to make small tabular foundation models effective for High-Dimensional, Low-Sample Size (HDLSS) tabular prediction without retraining large backbones.

By Al Zadid Sultan Bin Habib, Md Younus Ahamed, Prashnna Kumar Gyawali, Gianfranco Doretto, Donald A. Adjeroh
arXiv Machine Learning
Jun 5

Scalable Reinforcement Learning via Adaptive Batch Scaling

arXiv:2605. 21557v2 Announce Type: replace-cross Abstract: Conventional wisdom holds that large-batch training is fundamentally incompatible with Reinforcement Learning (RL) - beyond a modest threshold, increasing batch sizes typically yields diminishing returns or performance degradation due to the inherent non-stationarity of the data distribution.

By Jongchan Park
arXiv Machine Learning
Jun 5

When Attention Beats Fourier: Multi-Scale Transformers for PDE Solving on Irregular Domains

arXiv:2605. 08318v2 Announce Type: replace Abstract: We study the problem of \emph{architecture selection} for deep learning models trained to solve partial differential equations (PDEs), asking when transformer-based architectures with learned attention outperform Fourier-domain neural operators.

By Brandon Yee, Pairie Koh, Jack Rodriguez, Mihir Tekal