arXiv Machine Learning

Generative artificial intelligence for reliable mechanistic reasoning for corrosion

The paper introduces a retrieval‑augmented generation framework that combines fine‑tuned open‑weight language models with a hybrid dense‑lexical retrieval pipeline to synthesize corrosion knowledge. Applied to magnesium alloy corrosion, the system achieves significant improvements in token‑level accuracy and high faithfulness and context recall, while an additional Reason Map framework constructs evidence graphs to detect causal errors that standard factuality metrics miss. The modular design is positioned as a general blueprint for trustworthy AI‑assisted knowledge synthesis across engineering domains.

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
Jun 2

eMoT: evolving Memory-of-Thought via Symbolic Anchoring and Memory Corrosion

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 AI
Jun 9

Artificial Intelligence for Mathematical Reasoning: An Integrated Survey of Language Models, Neuro-symbolic Systems, and Verified Discovery

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 Computation and Language
Sep 3

HyGRAIL: Cost-Aware and Evidence-Grounded Scientific Hypothesis Discovery over Knowledge Graphs

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 AI
2d ago

Ontology-Grounded, Reasoner-Verified Benchmarks for Evaluating LLM Reasoning in Scientific AI

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