English

SUPERChem: A Multimodal Reasoning Benchmark in Chemistry

Computation and Language 2025-12-02 v1 Artificial Intelligence Machine Learning

Abstract

Current benchmarks for evaluating the chemical reasoning capabilities of Large Language Models (LLMs) are limited by oversimplified tasks, lack of process-level evaluation, and misalignment with expert-level chemistry skills. To address these issues, we introduce SUPERChem, a benchmark of 500 expert-curated reasoning-intensive chemistry problems, covering diverse subfields and provided in both multimodal and text-only formats. Original content and an iterative curation pipeline eliminate flawed items and mitigate data contamination. Each problem is paired with an expert-authored solution path, enabling Reasoning Path Fidelity (RPF) scoring to evaluate reasoning quality beyond final-answer accuracy. Evaluations against a human baseline of 40.3% accuracy show that even the best-performing model, GPT-5 (High), reaches only 38.5%, followed closely by Gemini 2.5 Pro (37.9%) and DeepSeek-V3.1-Think (37.3%). SUPERChem elicits multi-step, multimodal reasoning, reveals model-dependent effects of visual information, and distinguishes high-fidelity reasoners from heuristic ones. By providing a challenging benchmark and a reliable evaluation framework, SUPERChem aims to facilitate the advancement of LLMs toward expert-level chemical intelligence. The dataset of the benchmark is available at https://huggingface.co/datasets/ZehuaZhao/SUPERChem.

Keywords

Cite

@article{arxiv.2512.01274,
  title  = {SUPERChem: A Multimodal Reasoning Benchmark in Chemistry},
  author = {Zehua Zhao and Zhixian Huang and Junren Li and Siyu Lin and Junting Zhou and Fengqi Cao and Kun Zhou and Rui Ge and Tingting Long and Yuexiang Zhu and Yan Liu and Jie Zheng and Junnian Wei and Rong Zhu and Peng Zou and Wenyu Li and Zekai Cheng and Tian Ding and Yaxuan Wang and Yizhao Yan and Tingru Wei and Haowei Ming and Weijie Mao and Chen Sun and Yiming Liu and Zichen Wang and Zuo Zhang and Tong Yang and Hao Ma and Zhen Gao and Jian Pei},
  journal= {arXiv preprint arXiv:2512.01274},
  year   = {2025}
}

Comments

35 pages, 11 figures, 5 tables

R2 v1 2026-07-01T08:03:00.394Z