arXiv AI
Sep 24

TNLearn: An Open Source Python Package for Task-based Neurons

The paper introduces TNLearn, an open‑source Python package that automates the construction and training of task‑based neurons and networks. It argues that different tasks benefit from customized neurons that incorporate task‑specific prior knowledge, representing a shift from traditional task‑based architectures. The package, documented with technical exposition, API reference, and examples, is available on GitHub and integrated into the PyTorch ecosystem.

By Meng Wang, Tieyun Li, Juntong Fan, Hanyu Pei, Jing-Xiao Liao, Yaodong Yang, Jianwei Ma, Fenglei Fan
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