← Back to all news
arXiv Machine Learning

Learning Magnetic Order Classification from Large-Scale Materials Databases

Related stories

arXiv Machine Learning
Jun 11

Modelling magnetic material properties with uncertainty-aware neural networks

arXiv:2606. 11870v1 Announce Type: cross Abstract: Machine learning is increasingly applied to accelerate the discovery of novel materials by exploring large compositional and structural design spaces.

By Clemens Wager, Heisam Moustafa, Alexander Kovacs, Qais Ali, Harald Oezelt, Hayate Yamano, Masao Yano, Noritsugu Sakuma, Hyuga Hosoi, Akihito Kinoshita, Tetsuya Shoji, Akira Kato, Thomas Schrefl
benchmarks
More like this →
arXiv Machine Learning
Jun 18

Robust and Interpretable Adaptation of Equivariant Materials Foundation Models via Sparsity-promoting Fine-tuning

arXiv:2606. 18691v1 Announce Type: new Abstract: Pre-trained materials foundation models, or machine learning interatomic potentials, leverage general physicochemical knowledge to effectively approximate potential energy surfaces.

By Youngwoo Cho, Seunghoon Yi, Wooil Yang, Sungmo Kang, Young-woo Son, Jaegul Choo, Joonseok Lee, Soo Kyung Kim, Hongkee Yoon
fine-tuningefficiencybenchmarks
More like this →
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
llmsdiffusionreinforcement-learning
More like this →
arXiv Machine Learning
Jun 19

Evaluating Universal Machine Learning Force Fields Against Experimental Measurements

arXiv:2508. 05762v2 Announce Type: replace-cross Abstract: Universal machine learning force fields (UMLFFs) promise to revolutionize materials science by enabling rapid atomistic simulations across the periodic table.

By Sajid Mannan, Vaibhav Bihani, Carmelo Gonzales, Kin Long Kelvin Lee, Nitya Nand Gosvami, Sayan Ranu, Santiago Miret, N M Anoop Krishnan
benchmarks
More like this →
arXiv Machine Learning
2d ago

Surprisingly High Redundancy in Electronic Structure Data Across Materials Explained by Low Intrinsic Dimensionality

arXiv:2507.09001v4 Announce Type: replace-cross Abstract: Machine learning (ML) models for electronic structure typically rely on large datasets generated by computationally expensive Kohn-Sham densi...

By Sazzad Hossain, Ponkrshnan Thiagarajan, Shashank Pathrudkar, Stephanie Taylor, Abhijeet S. Gangan, Amartya S. Banerjee, Susanta Ghosh
efficiencybenchmarks
More like this →
arXiv Machine Learning
Sep 25

Leakage-Safe Machine Learning for Hydrogen Embrittlement Detection in 316L Stainless Steel: A Region-Held-Out Evaluation of Texture and Deep Features in SEM Micrographs

The study introduces a leakage‑safe evaluation protocol for detecting hydrogen embrittlement in 316L stainless steel using SEM micrographs. By employing a Leave‑One‑Region‑Out cross‑validation over 14 spatial regions, the authors compare six feature‑classifier combinations, finding that a simple local binary pattern (LBP) with a support vector machine (SVM) achieves the best performance (balanced accuracy 0.79, H2 recall 0.69, H2 precision 0.82). The results are statistically significant (p = 0.008) and suggest that texture descriptors can reliably recover hydrogen‑charging signatures even with limited data.

By Muhammad Awais, Muhammad Yaseen, Abdul Shakoor, Niaz Ahmed Niaz, Huria Zia, Muhammad Zain Shakoor
ragsafety
More like this →