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Coarse-grained molecular dynamics often sacrifices accuracy and transferability for computational efficiency, but the use of machine learned potentials is helping coarse-grained models attain performance on par with atomistic molecular…

化学物理 · 物理学 2026-02-17 Abigail Park , Shriram Chennakesavalu , Grant M. Rotskoff

Reinforcement learning often requires extensive training data. Simulation-to-real transfer offers a promising approach to address this challenge in robotics. While differentiable simulators offer improved sample efficiency through exact…

机器人学 · 计算机科学 2024-12-02 Severin Bochem , Eduardo Gonzalez-Sanchez , Yves Bicker , Gabriele Fadini

Simulations of collisions of fundamental particles on a quantum computer are expected to have an exponential advantage over classical methods and promise to enhance searches for new physics. Furthermore, scattering in scalar field theory…

量子物理 · 物理学 2025-08-14 Nikita A. Zemlevskiy

Heterogeneous multiscale methods (HMM) combine molecular accuracy of particle-based simulations with the computational efficiency of continuum descriptions to model flow in soft matter liquids. In these schemes, molecular simulations…

Spiking Neural Networks (SNNs) have attracted enormous research interest due to temporal information processing capability, low power consumption, and high biological plausibility. However, the formulation of efficient and high-performance…

神经与进化计算 · 计算机科学 2021-08-18 Wei Fang , Zhaofei Yu , Yanqi Chen , Timothee Masquelier , Tiejun Huang , Yonghong Tian

Coordinating micro-robotic swarms in physiologically realistic, time-dependent fluid environments remains an unsolved challenge for biomedical and environmental applications. We present a hybrid Computational Fluid Dynamics -…

机器人学 · 计算机科学 2026-05-26 Josef Berman , Oren Gal

The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of…

The slow microstructural evolution of materials often plays a key role in determining material properties. When the unit steps of the evolution process are slow, direct simulation approaches such as molecular dynamics become prohibitive and…

Interactive imitation learning makes an agent's control policy robust by stepwise supervisions from an expert. The recent algorithms mostly employ expert-agent switching systems to reduce the expert's burden by limitedly selecting the…

机器人学 · 计算机科学 2026-04-23 Taisuke Kobayashi

While imitation learning has shown impressive results in single-task robot manipulation, scaling it to multi-task settings remains a fundamental challenge due to issues such as suboptimal demonstrations, trajectory noise, and behavioral…

机器人学 · 计算机科学 2025-12-23 Yihang Zhu , Weiqing Wang , Shijie Wu , Ye Shi , Jingya Wang

Data-driven soft sensors have been widely applied in complex industrial processes. However, the interpretable spatio-temporal features extraction by soft sensors remains a challenge. In this light, this work introduces a novel method termed…

系统与控制 · 电气工程与系统科学 2025-11-04 Qianchao Wang , Peng Sha , Leena Heistrene , Yuxuan Ding , Yaping Du

We propose a new scalable platform for quantum computing (QC) -- an array of optically trapped symmetric-top molecules (STMs) of the alkaline earth monomethoxide (MOCH$_3$) family. Individual STMs form qubits, and the system is readily…

原子物理 · 物理学 2019-10-01 Phelan Yu , Lawrence W. Cheuk , Ivan Kozyryev , John M. Doyle

Improving the detailed understanding of the underlying properties and functions of biomolecules has recently attracted growing interest, enabled by the possibility of real-space imaging of single, intact macromolecules using Scanning…

介观与纳米尺度物理 · 物理学 2026-03-10 Tim J. Seifert , Dhaneesh Kumar , Markus Etzkorn , Stephan Rauschenbach , Klaus Kern , Kelvin Anggara , Uta Schlickum

This paper studies an input-driven one-state differential equation model initially developed for an experimentally demonstrated dynamic molecular switch that switches like synapses in the brain do. The linear-in-the-state and…

机器学习 · 计算机科学 2025-08-22 H. I. Nurdin , C. A. Nijhuis

Scientific modeling faces a tradeoff between the interpretability of mechanistic theory and the predictive power of machine learning. While existing hybrid approaches have made progress by incorporating domain knowledge into machine…

机器学习 · 计算机科学 2026-04-15 Carson Dudley , Reiden Magdaleno , Christopher Harding , Marisa Eisenberg

The Agentic Service Ecosystem consists of heterogeneous autonomous agents (e.g., intelligent machines, humans, and human-machine hybrid systems) that interact through resource exchange and service co-creation. These agents, with distinct…

多智能体系统 · 计算机科学 2025-08-12 Xuwen Zhang , Xiao Xue , Xia Xie , Qun Ma , Xiangning Yu , Deyu Zhou , Yifan Wang , Ming Zhang

Spiking recurrent neural networks (RNNs) are a promising tool for solving a wide variety of complex cognitive and motor tasks, due to their rich temporal dynamics and sparse processing. However training spiking RNNs on dedicated…

神经与进化计算 · 计算机科学 2021-09-28 Yigit Demirag , Charlotte Frenkel , Melika Payvand , Giacomo Indiveri

Learning is a physical process. Here, we aim to study a simple dynamical system composed of springs and sticks capable of arbitrarily approximating any continuous function. The main idea of our work is to use the sticks to mimic a…

机器学习 · 计算机科学 2025-08-27 Luis Mantilla Calderón , Alán Aspuru-Guzik

Empowering Large Multimodal Models (LMMs) to deeply integrate image interaction with long-horizon reasoning capabilities remains a long-standing challenge in this field. Recent advances in vision-centric reasoning explore a promising…

计算机视觉与模式识别 · 计算机科学 2025-12-19 Runqi Qiao , Qiuna Tan , Minghan Yang , Guanting Dong , Peiqing Yang , Shiqiang Lang , Enhui Wan , Xiaowan Wang , Yida Xu , Lan Yang , Chong Sun , Chen Li , Jing Lyu , Honggang Zhang

Modern machine learning systems rely on large datasets to attain broad generalization, and this often poses a challenge in robot learning, where each robotic platform and task might have only a small dataset. By training a single policy…

机器人学 · 计算机科学 2024-08-22 Ria Doshi , Homer Walke , Oier Mees , Sudeep Dasari , Sergey Levine