arXiv AI

MatPhaseBench: A Semantics-Guided Benchmark for Materials Phase Diagrams Understanding

arXiv:2607. 02934v1 Announce Type: cross Abstract: Materials phase diagrams are a core knowledge representation in materials science, encoding temperature,composition, phase stability, and phase transformation pathways, with their full understanding requiring thermodynamic mechanism analysis and scientific reasoning.

arXiv AI
2d ago

A Pathway to General-Purpose Scientific AI: Multimodal Comprehension of Scientific Images

arXiv:2608. 14075v1 Announce Type: new Abstract: Scientific figures and tables encode essential experimental evidence, yet remain difficult for digital libraries and multimodal AI systems to retrieve and interpret.

By Jennifer D'Souza, Fahad Ahmed, Cecilia Andrea Bustamante Andrade, Lina Frolova, Poorani Gnanasambandan, Dilshad Hussain, Muhammad Uzair Khan, Nkembeng Kevin Nkengfoa, Paul Praveen J., Fabio Priante, Sjoerd Franciscus van der Werf, Thomas Frederik Jan van Roeden
arXiv AI
Jun 9

MatMind: A Structure-Activity Knowledge-Driven Generative Foundation Model for Materials Science

arXiv:2606. 07712v1 Announce Type: cross Abstract: Progress in AI-driven crystal materials science has so far been carried by narrow architectures purpose-built for individual tasks -- graph neural networks for property prediction, diffusion and flow-matching models for crystal generation -- each excelling within its niche yet unable to act as a shared backbone across the full spectrum of materials problems.

By Zhan'ao Yao, Boxuan Zhang, Jingyuan Shu, Xiaoyu Wu, Rongyan Wang, Linjing Li, Dajun Zeng, Yudong Yao, Tingwei Chen, Youwei Wang, Xiaolin Zhao, Jiahui Shi, Jianjun Liu
arXiv AI
Jul 9

Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning

arXiv:2607. 07708v1 Announce Type: cross Abstract: Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization.

By Chen Tang, Yizhou Wang, Jianyu Wu, Lintao Wang, Shixiang Tang, Pengze Li, Encheng Su, Jun Yao, Jiabei Xiao, Yuqi Shi, Jielan Li, Hongxia Hao, Zhangyang Gao, Fang Wu, Ben Fei, Xiangyu Yue, Pan Tan, Bozitao Zhong, Jinouwen Zhang, Aoran Wang, Yan Lu, Jiaheng Liu, Xinzhu Ma, Liang Hong, Mingyue Zheng, Phil Torr, Bowen Zhou, Wanli Ouyang, Lei Bai
arXiv AI
Jul 28

AutoMat: Enabling Automated Crystal Structure Reconstruction from Microscopy via Agentic Tool Use

arXiv:2505. 12650v2 Announce Type: replace-cross Abstract: Reconstructing atomistic crystal structures from a single noisy STEM projection is an ill-posed inverse problem: multiple lattices can explain similar contrast, and purely feed-forward models cannot verify physical validity.

By Yaotian Yang, Yiwen Tang, Yizhe Chen, Xiao Chen, Jiangjie Qiu, Hao Xiong, Haoyu Yin, Zhiyao Luo, Yifei Zhang, Sijia Tao, Wentao Li, Qinghua Zhang, Yuqiang Li, Wanli Ouyang, Bin Zhao, Xiaonan Wang, Fei Wei
arXiv AI
Jun 2

Beyond Text and Tables: Vision-Language Model Integration in ComProScanner for Extracting Materials Data from Scientific Figures with High Accuracy

arXiv:2606. 00065v1 Announce Type: cross Abstract: Automated extraction of materials composition-property data from scientific literature has advanced considerably with the development of large language model-based pipelines; however, existing frameworks remain limited to textual and tabular content, overlooking the substantial proportion of quantitative property data reported exclusively in scientific figures.

By Aritra Roy, Enrico Grisan, Chiara Gattinoni, John Buckeridge
Hugging Face Trending Papers
Jul 8

Accurate, Interdisciplinary and Transparent Structure-property Understanding with Deep Native Structural Reasoning

Structure-property relationships are foundational to biology, chemistry and materials science, where function, reactivity and physical response emerge from spatial, chemical and periodic organization. Mechanistically explaining these relationships requires interpreting structural evidence through scientific principles and physical constraints, from stereochemistry and bonding to symmetry, energetics and periodic order.

Hugging Face Trending Papers
Jun 23

S1-Omni-Image: A Unified Model for Scientific Image Understanding, Generation, and Editing

We present S1-Omni-Image, an open-weight unified multimodal model for scientific image understanding, generation, and editing. Unlike general-purpose image generation models, scientific image tasks require not only high-fidelity synthesis, but also robust understanding of scientific semantics, structural relations, domain knowledge, and task intent.