arXiv Machine Learning By Hanyao Guo, Mo Cui, Zihan Tan, Leixin Sun, Yichun Wang, Yinan Shen, Guojun Zhu, Jia Jiang, Erhao Chen, Zui Chen, Wenzhe Gao, Zhihao Yu, Qijun Wang, Yetian Zhu, Jiande Chen, Chuhang Pei, Yao Jiang, Yichen Fan, Pinhan Wang, Xiaorui Pan, Qianyi Zhu, Yang Liu, Mang Ye, Guancheng Wan

ChemArgus: Automated Scientific Diagnostics for Lab-Grade Multimodal Chemistry Reasoning: A Frontier Benchmark

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arXiv AI
Sep 23

ChemVTS-Bench: Evaluating Visual-Textual-Symbolic Reasoning of Multimodal Large Language Models in Chemistry

ChemVTS-Bench is a domain-authentic benchmark that evaluates Visual‑Textual‑Symbolic reasoning in multimodal large language models for chemistry. It presents diverse chemical problems—organic molecules, inorganic materials, and 3D crystal structures—in three input modes: visual-only, visual‑text hybrid, and SMILES-based symbolic. The benchmark includes an automated agent workflow for inference, answer verification, and failure diagnosis, and shows that visual-only inputs and structural chemistry remain challenging for current models.

By Zhiyuan Huang, Baichuan Yang, Zikun He, Yanhong Wu, Fang Hongyu, Zhenhe Liu, Lin Dongsheng, Bing Su
arXiv AI
Oct 12

Masked Diffusion Language Agents for Tool-Integrated Chemical Reasoning

The paper introduces ChemDiffAgent, a masked diffusion language agent designed for tool‑integrated chemical reasoning. Unlike traditional autoregressive agents, it treats reasoning as iterative denoising over interleaved reasoning and tool‑use trajectories, allowing joint decision making under full‑trajectory context. A two‑stage post‑training framework further refines tool use and reasoning, and the authors benchmark the model on six chemistry tasks, reporting a ~20% performance gain over autoregressive baselines and competitive results against larger models.

By Mengdi Liu, Chenghao Jia, Hong Chang, Shiguang Shan
arXiv AI
Sep 28

BioEVAL: A global, multi-institutional benchmark of large language and multimodal models for bioengineering

BioEVAL is a global, multi‑institutional benchmark that evaluates large language and multimodal models on experimental reasoning tasks in bioengineering. It comprises 608 items across 11 bioengineering subfields, including 359 vetted multiple‑choice questions, 218 literature synthesis tasks, and 10 multimodal image‑interpretation problems. The benchmark was used to assess models such as ChatGPT, Gemini, and Grok, revealing accuracies up to 90% on MCQs, a 0.72 similarity score on literature synthesis, and 80% accuracy on multimodal tasks, with notable variation across subfields.

By Shun Ye, Vinny Chandran Suja, Chenlong Li, Chongming Jiang, Reza Zamani, Xiang Li, Christopher Bain, Yuqi Zhou, Walker Peterson, Huidong Wang, Chenglang Hu, Jongchan Park, Xiao Cheng, Benjamin Swedlund, Sandra Murillo, Anjali Sivanandan, Shiyu Sun, Liang Lanfeng, Mohammad Tariqul Islam, Baju C. Joy, Ishaq N. Khan, Sreedhar S. Kumar, Gabriel Mercado-V\'asquez, James V. Vizzard, Jonathan M. Matthews, Helen Huang, Xiaolu Guo, Ethan Nicklow, Guorui Chen, Ryan A. Neff, Surjendu Maity, Hyeonjin Park, Han-ho Joo, Katherine Dong, Yuyan Cai, Weihang Huang, Yichen Zou, Rui Yan, Raphael Figueroa, Artem Goncharov, Bella Rose Schremmer, Lian Elsa Linton, Keisuke Goda, Liang Gao, Ke Cheng, Leonardo Morsut, Jennifer L. Wilson, Jianping Fu, Lim Chwee Teck, Deblina Sarkar, Andreas Hierlemann, Sava\c{s} Tay, Alexander Hoffmann, Donald Richieri Griffin, Jun Chen, Shana O. Kelley, Shyni Varghese, Jinwoo Cheon, Wilbur A. Lam, James J. Moon, Wilson W. Wong, Samir Mitragotri, Dino Di Carlo