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:2606. 02278v1 Announce Type: cross Abstract: State-space models are traditionally based on physical knowledge, but multi-step predictions from these physical models can be poor due to model inaccuracy.
By Ruiyuan Li, Ajay Seth, Manon Kok
arXiv:2606. 06861v1 Announce Type: cross Abstract: Understanding nonlinear feature interactions is crucial in science and engineering, yet standard multilayer perceptrons (MLPs) often capture such interactions only implicitly, leading to entangled representations that can impair robustness and interpretability.
By Ziyuan Li, Uwe Jaekel, Babette Dellen
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: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: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:2606. 05202v1 Announce Type: cross Abstract: In reactor physics, neutronics can be treated with different fidelity levels, according to the needs of the user.
By Stefano Riva, Carolina Introini, J. Nathan Kutz, Antonio Cammi
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. 28553v1 Announce Type: new Abstract: Predicting the 3D structures of atomic systems is fundamental to advancing material science and drug discovery.
By Shentong Mo, Yatao Bian
arXiv:2606. 17077v1 Announce Type: cross Abstract: Proton dissociation constants (pKa) are critical for functional molecule discovery and molecular modeling.
By Wang Rui, Liu Dinghao
arXiv:2606. 20035v1 Announce Type: cross Abstract: Many dense prediction networks rely on additive feature transformations and model higher-order feature interactions only implicitly.
By Ziyuan Li, Osamah Sufyan, Uwe Jaekel, Babette Dellen
arXiv:2608. 09690v1 Announce Type: new Abstract: Recurrent neural networks (RNNs) are widely used for sequence learning, yet their application is commonly associated with temporal data, although recurrent computation fundamentally operates on ordered sequences rather than on time itself.
By Vagan Terziyan, Artur Terziian, Oleksandra Vitko