arXiv:2605. 19723v2 Announce Type: replace-cross Abstract: Mathematical reasoning is essential for problem-solving in education, science, and industry, serving as a crucial benchmark for evaluating artificial intelligence systems.
By Husnain Amjad, Raja Khurram Shahzad, Aamir Shahzad, Mehwish Fatima
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:2607. 19935v1 Announce Type: new Abstract: Large metal-organic framework (MOF) databases support simulation, screening, and machine learning through crystallographic information files (CIFs).
By Yu Liu, Zhiwei Yang, Diandian Guo, Kun Peng, Fangfang Yuan, Cong Cao, Chaozhuo Li, Zhiyuan Ma, Yanbing Liu, Guobin Zhao
arXiv:2606. 02054v1 Announce Type: new Abstract: While Large Language Models (LLMs) achieve impressive performance on multi-step reasoning tasks, their reliability is persistently hindered by critical limitations such as unconstrained hallucinations and poor numerical computation.
By Xiang Li, Jiwei Wei, Ke Liu, Yitong Qin, Jinyu Guo, Malu Zhang, Peng Wang, Yang Yang
arXiv:2606. 08728v1 Announce Type: new Abstract: Mathematical reasoning has long served as a stringent test of machine intelligence; over the past decade, it has moved from a niche problem within NLP to one of the most consequential AI frontiers.
By Syed Rifat Raiyan, Mohsinul Kabir, Hasan Mahmud, Md Kamrul Hasan
arXiv:2607. 00924v1 Announce Type: new Abstract: Accelerating materials discovery requires AI systems that can generate scientifically valid hypotheses through multi-step, domain-grounded reasoning.
By Subhadeep Pal, Shashwat Sourav, Tirthankar Ghosal, Markus J. Buehler
arXiv:2601.10485v5 Announce Type: replace
Abstract: Domain-specific knowledge graphs (DKGs) are critical yet often suffer from limited coverage compared to General Knowledge Graphs (GKGs). Existing t...
By Runhao Zhao, Weixin Zeng, Wentao Zhang, Chong Chen, Zhengpin Li, Xiang Zhao, Lei Chen
HyGRAIL is a framework for discovering scientific hypotheses in incomplete knowledge graphs by combining a graph neural network (GNN) triage with large language model (LLM) review. The GNN scores candidate hypotheses and routes only ambiguous cases to the LLM, which receives structured evidence from the graph converted into natural language. Experiments on MatKG show HyGRAIL achieves the highest F1 score, improves over baselines, and cuts LLM calls by over 54%.
By Yihang Sun, Zhihan Zhu, Zhiyuan Jiang, Jingyi Ge, Zixuan Li, Jiaxuan You
arXiv:2607. 07883v1 Announce Type: new Abstract: There is relatively little, public, and model-ready data on industrial machinery for African economies.
By Gospel Bassey, Vincent Fakiyesi
arXiv:2510. 19990v2 Announce Type: replace Abstract: The reasoning paradigm, where language models reason before answering, has enabled breakthroughs on tasks such as mathematical problem-solving.
By Zachary Horvitz, Raghav Singhal, Hao Zou, Carles Domingo-Enrich, Zhou Yu, Rajesh Ranganath, Kathleen McKeown
arXiv:2510. 12171v2 Announce Type: replace Abstract: Large Language Models have shown strong scientific reasoning ability, but their performance on materials science problems remains less studied.
By Junkai Zhang, Jingru Gan, Xiaoxuan Wang, Zian Jia, Changquan Gu, Jianpeng Chen, Yanqiao Zhu, Mingyu Derek Ma, Dawei Zhou, Ling Li, Wei Wang
The paper introduces a pipeline that automatically creates ontology‑grounded multiple‑choice question benchmarks for evaluating large language models (LLMs) on logical reasoning tasks in scientific AI. By using OWL 2 ontologies, correct answers are guaranteed by design and distractors are generated and formally verified as incorrect through an OWL reasoner. Experiments on three ontologies—Pizza, PMDco, and DOID—yielded 112, 2,491, and 15,216 MCQs, respectively, with high natural‑language quality and challenging zero‑shot performance for six LLMs.
By Nishtha N. Vaidya, Stephan Grimm, Thomas Hubauer, Thomas A. Runkler