arXiv Machine Learning

Product units in gated recurrent units improve nuclear-mass prediction

arXiv:2606. 06866v1 Announce Type: new Abstract: The prediction of masses of atomic nuclei using machine learning can complement theoretical models and advance the exploration of poorly known domains of the nuclear chart.

arXiv Machine Learning
Jul 1

ElemeNet: Multiscale Molecular Machine Learning with Uncertainty Quantification Across the Periodic Table

arXiv:2606. 30961v1 Announce Type: cross Abstract: Advances in deep learning architectures and representations have enabled ML-driven chemical property prediction, but state-of-the-art (SOTA) models have remained largely confined to independent codebases and lack support for diverse chemical species.

By Jacob W. Toney, Samir Darouich, Yiran Wang, Aaron G. Garrison, Johannes K\"astner, Heather J. Kulik
arXiv AI
Jun 9

MinMax Recurrent Neural Cascades

arXiv:2605. 06384v3 Announce Type: replace-cross Abstract: We introduce MinMax Recurrent Neural Cascades (MinMax RNCs), a class of recurrent neural networks built from a novel form of recurrence over the MinMax algebra.

By Alessandro Ronca
arXiv Machine Learning
Jun 25

Frequency Domain Reservoir Computing

arXiv:2606. 24969v1 Announce Type: new Abstract: While the quadratic sequence-length bottleneck of transformers has fueled a resurgence in recurrent models, effectively capturing complex dynamics requires architectures that balance efficient training with highly expressive latent states.

By Klaus Schertler, Xiomara Runge, Andrea Ceni, David Kappel, Claudio Gallicchio
arXiv Machine Learning
Jul 28

Numerical Investigation of Sequence Modeling Theory using Controllable Memory Functions

arXiv:2506. 05678v3 Announce Type: replace Abstract: The evolution of sequence modeling architectures, from recurrent neural networks and convolutional models to Transformers and structured state-space models, reflects ongoing efforts to address the diverse temporal dependencies inherent in sequential data.

By Haotian Jiang, Zeyu Bao, Shida Wang, Qianxiao Li
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