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

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

Agents' Last Exam

arXiv:2606. 05405v1 Announce Type: cross Abstract: Recent AI systems have achieved strong results on a wide range of benchmarks, yet these gains have not translated into economically meaningful deployment across many professional domains.

By Yiyou Sun, Xinyang Han, Weichen Zhang, Yuanbo Pang, Tianyu Wang, Yuhan Cao, Yixiao Huang, Chris Duroiu, Haoyun Zhang, Jeffrey Lin, Weishu Zhang, Tyler Zeng, Ying Yan, Bo Liu, Hanson Wen, Mingyang Xu, Xiaoyuan Liu, Zimeng Chen, Weiyan Shi, Amanda Dsouza, Vincent Sunn Chen, Patrick Bryant, Carl Boettiger, Yamini Rangan, Bradley Rothenberg, Kyle Steinfeld, Arvind Rao, Tapio Schneider, Georgios Yannakakis, Laure Zanna, Kaan Ozbay, Ida Sim, Tarek Zohdi, George Em Karniadakis, Jack Gallant, Teresa Head-gordon, Yushan Li, Wenxi Deng, Tao Sun, Huiqi Wang, Zhun Wang, Justin Xu, Chris Yuhao Liu, Yafei Cheng, Rongwang Hu, Aras Bacho, Shengcao Cao, Zengyi Qin, Yixiong Chen, Hengduan Fan, Hao Liu, Lin Zeng, Shashank Muralidhar Bharadwaj, Litian Gong, Yingxuan Yang, Maojia Song, Ruheng Wang, Zongzheng Zhang, Honglin Bao, Shuo Lu, Jianhong Tu, Zhonghua Wang, Zheng Zhang, Zijiao Chen, yanqiong Jiang, Zhendong Li, Bohan Lyu, Chang Ma, Peiran Xu, Benran Zhang, Shangding Gu, Haoyue Hua, Haoyang Li, Wanzhe Liao, Chengzhi Liu, Junbo Peng, Haoran Sun, Zechen Xu, Bo Chen, Jiayi Cheng, Yi Jiang, Keying Kuang, Yuan Li, Youbang Pan, Ziyan Rao, Alexander Schubert, Yifan Shen, Vincent Siu, Xiatao Sun, Kangqi Zhang, Xiaopan Zhang, Yuchen Zhu, Ishaan Singh Chandok, Lei Ding, Jingxuan Fan, Andrew Glover, Jiaming Hu, Yiran Hu, Wenbo Huang, Zixin Jiang, Haoran Jin, Lukas Kim, Ming Liu, Yang Liu, Alireza Rafiei, Xuhuan Shen, Kunyang Sun, Sophia Sun, Ting Sun, Eric Wang, Yixin Wang, Hanwen Xing, Sihan Xu, Yuzheng Xu, Zhongxing Xu, Zhiling Yan, Boqin Yuan, Ruiqi Zhang, Yifan Zhang, Zibo Zhao, Liana, Santanu Bosu Antu, Haoyue Bai, Carlo Bosio, Joseph Cavanagh, Patricia Cavazos-Rehg, Tianxing Chen, Xuewen Chen, Yipu Chen, Zhu Chenyu, Chen Dai, Stefano De Castro, Yunfu Deng, Kaustubh Dhole, Jiayuan Ding, Chenchen Du, Zhehang Du, Hao Fan, Run-ze Fan, Hengyu Fu, Shi Gu, Yifan Gu, Charlie Guo, Baihe Huang, Baixiang Huang, Rimika Jaiswal, Zhihan Jiang, Ran Jin, Erin Kasson, Xin Lan, Joseph Lee, Deren Lei, Chenyu Li, Daofeng Li, Haitao Li, Hongwei Li, Jingyan Li, Xiao Li, Yi Li, Yinsheng Li, Yuangang Li, Zhixu Li, Wenyu Liang, Longtai Liao, Kevin Qinghong Lin, AndyZeyi Liu, Che Liu, Jiaming Liu, Kaiyuan Liu, Xuan Liu, Pan Lu, Wenbo Lv, Yicheng Lv, Qiuyang Mang, Kyle Montgomery, Yuzhou Nie, Ruoxi Ning, Jorin Overwiening, Xu Pan, Layna Paraboschi, Core Francisco Park, Justin Purnomo, Swati Rajwal, Scott Rankin, Bixuan Ren, Yiren Rong, HaoYang Shang, Ventus Shaw, Fiona Shen, Jiawei Shen, Minqi Shi, Qiu Shi, Huaxiu Yao, Tianneng Shi, Jonah So, Vladislav Susoy, Hannah Szlyk, Haocheng Wang, Jialu Wang, Wei Wang, Xinyu Wang, Zehao Wang, Dowling Wong, Angela Wu, Dehao Wu, Fangyu Wu, Mengyuan "Millie" Wu, Yu Wu, Yuchen Wu, Yuhao Wu, Qingpo Wuwu, Weihang Xiao, Yongyi Xiong, Fan Xu, Ruiling Xu, Mingxuan Yan, Benjamin Yang, Jirong Yang, Sen Yang, Xiaoli Yang, Yushi Yang, Haoran Ye, Xiaohu Yu, Zhengming Yu, Chenlong Zhang, Chi Zhang, Hanning Zhang, Hanwen Zhang, Junge Zhang, Kunpeng Zhang, Song Zhang, Wenjin Zhang, Wenshuo Zhang, Ying Zhang, Yizhi Zhang, Brian Zhao, Qijian Zhao, Yimin Zhao, Yuhaohua Zheng, Liwei Zhou, Tianyue Zhou, Sichen Zhu, Siqi Zhu, Yan Zhu, Yishu Zhu, Jierui Zuo, Chonghao Cai, Helena Casademunt, Wenjia Chen, Benjamin Cheng, Nawen Deng, Rao Fu, Tianfu Fu, Yifan Han, Ren He, Zhenyu He, Qiao Jin, Lang Lang, Yuetai Li, Sylvia Liu, Lu Lu, Qing Lu, Subhabrata Mukherjee, Yunqi Ouyang, Yin Ren, Dawei Shi, Haoran Wu, Zhiyue Wu, Hannah Yao, Zhuoran Yi, Jenny Yu, Rhea Zhan, Hang Zhou, Blake Zhu, Junfan Zhu, Alan Yuille, Yang Liu, Russell Alan Poldrack, Jiachen Li, Zhenglu Li, Molei Tao, Jing Huang, Wenqi Shi, Costas Spanos, Lichao Sun, Chenguang Wang, Orson Xu, Zhen Dong, Hector Gomez, Aylin Caliskan, Ali Emami, Haimin Hu, Zhi Li, Lihui Liu, Murphy Niu, Yi Shao, Jianxin Sun, Mikko Tolonen, Ting Wang, Sanjiv Das, Yanjun Gao, Wenbo Guo, Erika J Schneider, Zhiyong Lu, Mark Mueller, Radha Poovendran, Somayeh Sojoudi, Dawn Song