arXiv:2608. 16870v1 Announce Type: new Abstract: Accurate classification of circulating tumor cell (CTC) phenotypes can provide valuable information for assessing metastatic potential.
By Serena Su, Yifan Wang, Senwei Liang
The paper introduces Newmark‑eta‑DGN, a graph neural network framework that learns coarse‑step dynamics and internal mechanical responses from discretely sampled trajectories. It combines a semi‑implicit update inspired by the Newmark‑eta method with an operator‑weighted virtual hub to capture system‑wide coupling. The model can predict long‑horizon motion and infer unobserved forces and stiffness operators across deformable beams, human gait, and protein dynamics without explicit supervision on mechanical quantities.
By Vinay Sharma, Olga Fink
arXiv:2606. 15637v1 Announce Type: new Abstract: A digital twin (DT) of a patient-specific heart offers significant potential in personalized medicine.
By Sumeet Vadhavkar, Xiajun Jiang, Yubo Ye, Maryam Toloubidokhti, Linwei Wang
arXiv:2607. 20551v1 Announce Type: cross Abstract: Effective molecular representation learning is crucial for accurate molecular property prediction.
By Tianming Han, Li Zhang, Qi Zhao
arXiv:2504. 02839v2 Announce Type: replace-cross Abstract: Proteins move and deform to ensure their biological functions.
By Valentin Lombard, Julien Nguyen Van, Sergei Grudinin, Elodie Laine
The paper introduces Neptune, a method that uses independent coordinate neural networks to infer parameter fields in multi-physics PDEs from sparse measurements. Neptune can accurately estimate parameters with nonlinear, spatiotemporal variations, outperforming existing techniques by reducing estimation errors by up to two orders of magnitude and improving dynamic response predictions by a factor of ten. It also demonstrates strong physical extrapolation, enabling reliable predictions beyond the training data.
By Xuyang Li, Mahdi Masmoudi, Rami Gharbi, Nizar Lajnef, Vishnu Naresh Boddeti
arXiv:2606. 06094v1 Announce Type: cross Abstract: Advances in computational modeling, neuroimaging, and artificial intelligence are revolutionizing the modeling of neurological disorders for improved diagnostics, prognosis, and treatment planning.
By Shah Pallav Dhanendrakumar, Saikat Pal, Sitikantha Roy
arXiv:2606. 09541v1 Announce Type: cross Abstract: Single-Molecule Force Spectroscopy (SMFS) provides unprecedented insights into biomolecular mechanics, yet the high-throughput generation of force-extension trajectories creates a severe data curation bottleneck.
By Jorge Rodriguez-Ramos
arXiv:2607. 29158v1 Announce Type: cross Abstract: We introduce implicit machine learning force fields (I-MLFFs), which replace explicit stacks of neural network layers with self-consistent fixed-point equations.
By Johannes Mae{\ss}, Leon Werner, J. Thorben Frank, Winfried Ripken, Martin Michajlow, Joshua Futterer, Klaus-Robert M\"uller, Stefan Chmiela
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:2607. 22215v1 Announce Type: new Abstract: In this study, we introduce latent PDE mapping, a broadly applicable physics-informed learning technique designed to enable efficient geometric generalization with sparse training data.
By Ingvild Askim Adde, Mary M. Maleckar, Gabriel Balaban
arXiv:2608.21070v1 Announce Type: cross
Abstract: Inferring continuous system evolution from sparse temporal snapshots is a key challenge in generative modeling and single-cell omics. While Optimal T...
By Yuhao Sun, Zekun Wu, Zixun Huang, Peijie Zhou