Memory kernel minimization-based neural networks for discovering slow collective variables of biomolecular dynamics [0.03%]
基于记忆核最小化的神经网络，用于发现生物分子动力学中的慢集体变量
Bojun Liu,Siqin Cao,Jordan G Boysen et al.
Bojun Liu et al.
Identifying collective variables (CVs) that accurately capture the slowest timescales of protein conformational changes is crucial to comprehend numerous biological processes. Here we introduce memory kernel minimization-based neural networ...
Advancing real-time infectious disease forecasting using large language models [0.03%]
利用大规模语言模型推进实时传染病预测
Hongru Du,Yang Zhao,Jianan Zhao et al.
Hongru Du et al.
Forecasting the short-term spread of an ongoing disease outbreak poses a challenge owing to the complexity of contributing factors, some of which can be characterized through interlinked, multi-modality variables, and the intersection of pu...
Narendra M Dixit
Narendra M Dixit
Unified deep learning framework for many-body quantum chemistry via Green's functions [0.03%]
基于格林函数的量子化学统一大规模学习框架
Christian Venturella,Jiachen Li,Christopher Hillenbrand et al.
Christian Venturella et al.
Quantum many-body methods provide a systematic route to computing electronic properties of molecules and materials, but high computational costs restrict their use in large-scale applications. Owing to the complexity in many-electron wavefu...
A computational approach to evaluate how molecular mechanisms impact large-scale brain activity [0.03%]
计算评估分子机制如何影响全脑范围内的神经活动的方法
Maria Sacha,Federico Tesler,Rodrigo Cofre et al.
Maria Sacha et al.
Assessing the impact of pharmaceutical compounds on brain activity is a critical issue in contemporary neuroscience. Currently, no systematic approach exists for evaluating these effects in whole-brain models, which typically focus on macro...
When disruption endures [0.03%]
当颠覆持久存在
Russell J Funk,Xiangting Wu
Russell J Funk
Interpretable niche-based cell‒cell communication inference using multi-view graph neural networks [0.03%]
基于多视图图神经网络的解释性生态位细胞通讯推理方法
Juntian Qi,Zhengchao Luo,Chuan-Yun Li et al.
Juntian Qi et al.
Cell‒cell communication (CCC) is a fundamental biological process for the harmonious functioning of biological systems. Increasing evidence indicates that cells of the same type or cluster may exhibit different interaction patterns under v...
Christoph Kern,Unai Fischer-Abaigar,Jonas Schweisthal et al.
Christoph Kern et al.