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

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

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
arXiv Machine Learning
Jun 5

Pattern Selectivity is Not Task-Causal Structure: A Cross-Architecture Mechanistic Study of Composed-Task Circuits in 1B-Class Language Models

arXiv:2606. 05378v1 Announce Type: new Abstract: We test whether a single screen-and-ablate recipe -- identify attention-head circuits by task-pattern selectivity, then verify by causal ablation against a matched-random null -- produces consistent mechanistic claims across model families.

By Yongzhong Xu
arXiv Machine Learning
Jun 5

Selective-Advantage Entropy-Adaptive Horizon GRPO: Asymmetric Token-Level Discounting for Efficient Reinforcement Learning of Language Models

arXiv:2606. 05434v1 Announce Type: new Abstract: Group Relative Policy Optimisation (GRPO) has emerged as an effective reinforcement-learning algorithm for aligning language models on reasoning tasks, but it treats every token position and every sampled rollout symmetrically.

By Chirag Chawla, Rohan Charudatt Salvi, Madhav S. Baidya
arXiv Machine Learning
Jun 5

Almieyar-Oryx-BloomBench: A Bilingual Multimodal Benchmark for Cognitively Informed Evaluation of Vision-Language Models

arXiv:2606. 05531v1 Announce Type: cross Abstract: Despite the rapid progress of Vision-Language Models (VLMs), the field lacks benchmarks that rigorously diagnose their true reasoning abilities and chart meaningful progress toward human-like multimodal intelligence.

By Mohammad Mahdi Abootorabi, Omid Ghahroodi, Anas Madkoor, Marzia Nouri, Doratossadat Dastgheib, Mohamed Hefeeda, Ehsaneddin Asgari