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We address the problem of efficient phase diagram sampling by adopting active learning techniques from machine learning, and achieve an 80% reduction in the sample size (number of sampled statepoints) needed to establish the phase boundary…

Computational Physics · Physics 2018-03-12 Chengyu Dai , Isaac R. Bruss , Sharon C. Glotzer

Recent studies on Visual Autoregressive (VAR) models have highlighted that high-frequency components, or later steps, in the generation process contribute disproportionately to inference latency. However, the underlying computational…

Computer Vision and Pattern Recognition · Computer Science 2025-07-11 Jiajun Li , Yue Ma , Xinyu Zhang , Qingyan Wei , Songhua Liu , Linfeng Zhang

Feature screening for ultrahigh-dimension, in general, proceeds with two essential steps. The first step is measuring and ranking the marginal dependence between response and covariates, and the second is determining the threshold. We…

Methodology · Statistics 2022-07-28 Linsui Deng , Yilin Zhang

Surface hopping (SH) methods are typically employed to simulate ultrafast nonadiabatic processes, but long timescales often remain beyond their reach. To address this, accelerated SH scheme mitigate this limitation by scaling the driving…

Chemical Physics · Physics 2026-04-29 Jakub Martinka , Mahesh Kumar Sit , Pavlo O. Dral , Jiří Pittner

World models paired with model predictive control (MPC) can be trained offline on large-scale datasets of expert trajectories and enable generalization to a wide range of planning tasks at inference time. Compared to traditional MPC…

Machine Learning · Computer Science 2025-12-11 Arjun Parthasarathy , Nimit Kalra , Rohun Agrawal , Yann LeCun , Oumayma Bounou , Pavel Izmailov , Micah Goldblum

We deal with accelerating the solution of a sequence of large linear systems solved by preconditioned conjugate gradient method (PCG). The sequence originates from time-stepping within a simulation of an unsteady incompressible flow. We…

Numerical Analysis · Mathematics 2026-02-04 Martin Hanek , Jan Papež , Jakub Šístek

Adaptive designs have been proposed for clinical trials in which the nuisance parameters or alternative of interest are unknown or likely to be misspecified before the trial. Whereas most previous works on adaptive designs and mid-course…

Methodology · Statistics 2011-05-18 Jay Bartroff , Tze Leung Lai

We consider the problem of detecting jumps in an otherwise smoothly evolving trend whilst the covariance and higher-order structures of the system can experience both smooth and abrupt changes over time. The number of jump points is allowed…

Methodology · Statistics 2023-12-27 Weichi Wu , Zhou Zhou

Many problems in science and engineering require an efficient numerical approximation of integrals or solutions to differential equations. For systems with rapidly changing dynamics, an equidistant discretization is often inadvisable as it…

Scaling training compute, measured in FLOPs, has long been shown to improve the accuracy of large language models, yet training remains resource-intensive. Prior work shows that increasing test-time compute (TTC)-for example through…

Computation and Language · Computer Science 2026-01-06 Hossam Amer , Maryam Dialameh , Hossein Rajabzadeh , Walid Ahmed , Weiwei Zhang , Yang Liu

The enforcement of global energy conservation in phase-field fracture simulations has been an open problem for the last 25 years. Specifically, the occurrence of unstable fracture is accompanied by a loss in total potential energy, which…

Materials Science · Physics 2026-01-01 Juan Michael Sargado , Joachim Mathiesen

Phase estimation is known to be a robust method for single-qubit gate calibration in quantum computers, while Bayesian estimation is widely used in devising optimal methods for learning in quantum systems. We present Bayesian phase…

Quantum Physics · Physics 2025-05-06 Brennan de Neeve , Andrey V. Lebedev , Vlad Negnevitsky , Jonathan P. Home

Near a bifurcation point a system experiences critical slowing down. This leads to scaling behavior of fluctuations. We find that a periodically driven system may display three scaling regimes and scaling crossovers near a saddle-node…

Mesoscale and Nanoscale Physics · Physics 2009-11-10 D. Ryvkine , M. I. Dykman , B. Golding

Discrete distributions, particularly in high-dimensional deep models, are often highly multimodal due to inherent discontinuities. While gradient-based discrete sampling has proven effective, it is susceptible to becoming trapped in local…

Machine Learning · Computer Science 2024-10-28 Patrick Pynadath , Riddhiman Bhattacharya , Arun Hariharan , Ruqi Zhang

Phase-field fracture models provide a powerful approach to modeling fracture, potentially enabling the unguided prediction of crack growth in complex patterns. To ensure that only tensile stresses and not compressive stresses drive crack…

Materials Science · Physics 2025-04-24 Maryam Hakimzadeh , Noel Walkington , Carlos Mora-Corral , George Gazonas , Kaushik Dayal

We present a phase field modeling framework for hydrogen assisted cracking. The model builds upon a coupled mechanical and hydrogen diffusion response, driven by chemical potential gradients, and a hydrogen-dependent fracture energy…

Numerical Analysis · Mathematics 2018-08-10 Emilio Martínez-Pañeda , Alireza Golahmar , Christian F. Niordson

Multistage stochastic programming is a powerful tool allowing decision-makers to revise their decisions at each stage based on the realized uncertainty. However, in practice, organizations are not able to be fully flexible, as decisions…

Optimization and Control · Mathematics 2024-01-17 Sezen Ece Kayacık , Beste Basciftci , Albert H Schrotenboer , Evrim Ursavas

Many physical and biological processes are stochastic in nature. Computational models and simulations of such processes are a mathematical and computational challenge. The basic stochastic simulation algorithm was published by D. Gillespie…

Quantitative Methods · Quantitative Biology 2009-11-13 Azi Lipshtat

Adaptive Computing is an application-agnostic outer loop framework to strategically deploy simulations and experiments to guide decision making for scale-up analysis. Resources are allocated over successive batches, which makes the…

We propose a data-driven optimization-based pre-compensation method to improve the contour tracking performance of precision motion stages by modifying the reference trajectory and without modifying any built-in low-level controllers. The…

Systems and Control · Electrical Eng. & Systems 2022-09-07 Samuel Balula , Dominic Liao-McPherson , Alisa Rupenyan , John Lygeros