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Solving statistical learning problems often involves nonconvex optimization. Despite the empirical success of nonconvex statistical optimization methods, their global dynamics, especially convergence to the desirable local minima, remain…

Machine Learning · Statistics 2018-08-30 Chris Junchi Li , Zhaoran Wang , Han Liu

Direct simulation of biomolecular dynamics in thermal equilibrium is challenging due to the metastable nature of conformation dynamics and the computational cost of molecular dynamics. Biased or enhanced sampling methods may improve the…

Chemical Physics · Physics 2015-06-12 Benjamin Trendelkamp-Schroer , Frank Noe

A particle with internal unobserved states diffusing in a force field will generally display effective advection-diffusion. The drift velocity is proportional to the mobility averaged over the internal states, or effective mobility, while…

Statistical Mechanics · Physics 2017-10-13 Erik Aurell , Stefano Bo

Metropolis Monte Carlo simulation is a powerful tool for studying the equilibrium properties of matter. In complex condensed-phase systems, however, it is difficult to design Monte Carlo moves with high acceptance probabilities that also…

Statistical Mechanics · Physics 2014-05-27 Jerome P. Nilmeier , Gavin E. Crooks , David D. L. Minh , John D. Chodera

We analyse the convergence and stability of a micro-macro acceleration algorithm for Monte Carlo simulations of stiff stochastic differential equations with a time-scale separation between the fast evolution of the individual stochastic…

Numerical Analysis · Mathematics 2024-12-20 Przemysław Zieliński , Hannes Vandecasteele , Giovanni Samaey

We introduce a general method to determine the large scale non-equilibrium steady-state properties of one-dimensional multi-species driven diffusive systems with open boundaries, generalizing thus the max-min current principle known for…

Statistical Mechanics · Physics 2023-09-13 Luigi Cantini , Ali Zahra

We present a data-driven feedforward control to attenuate large transient lift experienced by an airfoil disturbed by an extreme level of discrete vortex gust. The current analysis uses a nonlinear machine-learning technique to compress the…

Fluid Dynamics · Physics 2024-09-18 Kai Fukami , Hiroya Nakao , Kunihiko Taira

Global Navigation Satellite Systems (GNSS) are vital for reliable urban positioning. However, multipath and non-line-of-sight reception often introduce large measurement errors that degrade accuracy. Learning-based methods for predicting…

Computer Vision and Pattern Recognition · Computer Science 2025-09-23 Jiaqi Zhu , Shouyi Lu , Ziyao Li , Guirong Zhuo , Lu Xiong

In sustained growth with random dynamics stationary distributions can exist without detailed balance. This suggests thermodynamical behavior in fast growing complex systems. In order to model such phenomena we apply both a discrete and a…

Statistical Mechanics · Physics 2017-03-22 Tamás Biró , Zoltán Néda

Here we present a multiscale method to calculate the saddle point associated with the effective dynamics arising from a stochastic system which couples slow deterministic drift and fast stochastic dynamics. This problem is motivated by the…

Numerical Analysis · Mathematics 2017-08-25 Shuting Gu , Xiang Zhou

Deep generative models complement Markov-chain-Monte-Carlo methods for efficiently sampling from high-dimensional distributions. Among these methods, explicit generators, such as Normalising Flows (NFs), in combination with the Metropolis…

Machine Learning · Computer Science 2024-05-29 Vikas Kanaujia , Mathias S. Scheurer , Vipul Arora

We study a constructive algorithm that approximates Gateaux derivatives for statistical functionals by finite differencing, with a focus on functionals that arise in causal inference. We study the case where probability distributions are…

Methodology · Statistics 2026-03-16 Michael I. Jordan , Yixin Wang , Angela Zhou

In many areas of science and engineering, discovering the governing differential equations from the noisy experimental data is an essential challenge. It is also a critical step in understanding the physical phenomena and prediction of the…

Methodology · Statistics 2026-05-12 Jiuhai Chen , Lulu Kang , Guang Lin

This paper investigates the cooperative planning and control problem for multiple connected autonomous vehicles (CAVs) in different scenarios. In the existing literature, most of the methods suffer from significant problems in computational…

Multiagent Systems · Computer Science 2021-01-05 Xiaoxue Zhang , Zilong Cheng , Jun Ma , Sunan Huang , Frank L. Lewis , Tong Heng Lee

Established techniques for simulation and prediction with Gaussian process (GP) dynamics often implicitly make use of an independence assumption on successive function evaluations of the dynamics model. This can result in significant error…

Machine Learning · Computer Science 2020-05-05 Lukas Hewing , Elena Arcari , Lukas P. Fröhlich , Melanie N. Zeilinger

This work leverages tools from evolutionary game theory to solve unconstrained nonconvex optimization problems. Specifically, we lift such a problem to an optimization over probability measures, whose minimizers exactly correspond to the…

Optimization and Control · Mathematics 2024-09-11 Brendon G. Anderson , Samuel Pfrommer , Somayeh Sojoudi

We propose a dynamical model for group formation and switching behavior in systems where each group competes for members through attraction functions that are inversely proportional to their current sizes. This attraction is modulated by…

Dynamical Systems · Mathematics 2026-03-12 Samit Ghosh

Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it.…

Machine Learning · Computer Science 2024-05-14 Tianrong Chen , Jiatao Gu , Laurent Dinh , Evangelos A. Theodorou , Joshua Susskind , Shuangfei Zhai

Nonadiabatic molecular dynamics occur in a wide range of chemical reactions and femtochemistry experiments involving electronically excited states. These dynamics are hard to treat numerically as the system's complexity increases and it is…

Chemical Physics · Physics 2021-07-28 Haifeng Lang , Oriol Vendrell , Philipp Hauke

This paper presents a data-driven optimal control policy for a micro flapping wing unmanned aerial vehicle. First, a set of optimal trajectories are computed off-line based on a geometric formulation of dynamics that captures the nonlinear…

Robotics · Computer Science 2022-06-09 Tejaswi K. C. , Taeyoung Lee