相关论文: Predicting reaction coordinates in energy landscap…

Most methods for estimating configurational entropy from molecular simulation data yield upper limits except for harmonic systems where they are exact. Problems arise at diffusive systems and the presence of conformational transitions.…

We present a novel framework for collaboration amongst a team of robots performing Pose Graph Optimization (PGO) that addresses two important challenges for multi-robot SLAM: i) that of enabling information exchange "on-demand" via Active…

Legged robots have become capable of performing highly dynamic maneuvers in the past few years. However, agile locomotion in highly constrained environments such as stepping stones is still a challenge. In this paper, we propose a…

In this paper, we revisit stochastic gradient descent (SGD) with AdaGrad-type preconditioning. Our contributions are twofold. First, we develop a unified convergence analysis of SGD with adaptive preconditioning under anisotropic or matrix…

We consider several factors concerning the design of observing strategies in Cosmic Microwave Background (CMB) anisotropy experiments. First we consider the number of independent points on the sky one should observe given a fixed observing…

A network of spatially distributed data centers can provide operational flexibility to power systems by shifting computing tasks among electrically remote locations. However, harnessing this flexibility in real-time through the standard…

The effective anisotropic stresses induced by the scalar modes of the geometry depend on the coordinate system so that the comparison of the competing results is ultimately determined by the evolution of the pivotal variables in each…

A Hamiltonian-based model of many harmonically interacting massive particles that are subject to linear friction and coupled to heat baths at different temperatures is used to study the dynamic approach to equilibrium and non-equilibrium…

Conditional decision generation with diffusion models has shown powerful competitiveness in reinforcement learning (RL). Recent studies reveal the relation between energy-function-guidance diffusion models and constrained RL problems. The…

Diffusion models excel at capturing complex data distributions, such as those of natural images and proteins. While diffusion models are trained to represent the distribution in the training dataset, we often are more concerned with other…

In this paper, we study the diffusion approximation for singularly perturbed stochastic reaction-diffusion equation with a fast oscillating term. The asymptotic limit for the original system is obtained, where an extra Gaussian term…

Reaction-diffusion equations are widely used as the governing evolution equations for modeling many physical, chemical, and biological processes. Here we derive reaction-diffusion equations to model transport with reactions on a…

We propose Co-op, a novel method for accurately and robustly estimating the 6DoF pose of objects unseen during training from a single RGB image. Our method requires only the CAD model of the target object and can precisely estimate its pose…

We develop a mesoscopic modeling framework for diffusion in a crowded environment, particularly targeting applications in the modeling of living cells. Through homogenization techniques we effectively coarse-grain a detailed microscopic…

We present a fast adaptive method for the evaluation of heat potentials, which plays a key role in the integral equation approach for the solution of the heat equation, especially in a non-stationary domain. The algorithm utilizes a…

In this proceedings contribution, we review the exact solution of the anisotropic hydrodynamics equations for a system subject to Gubser flow. For this purpose, we use the leading-order anisotropic hydrodynamics equations which assume that…

This paper is devoted to the development of a theoretical and computational framework to efficiently sample the statistically significant thermally activated reaction pathways, in multi-dimensional systems obeying Langevin dynamics. We show…

Competition between synapses arises in some forms of correlation-based plasticity. Here we propose a game theory-inspired model of synaptic interactions whose dynamics is driven by competition between synapses in their weak and strong…

Physics-based, atom-centered machine learning (ML) representations have been instrumental to the effective integration of ML within the atomistic simulation community. Many of these representations build off the idea of atoms as having…

In this paper, we propose a Spatial Robust Mixture Regression model to investigate the relationship between a response variable and a set of explanatory variables over the spatial domain, assuming that the relationships may exhibit complex…