相关论文: NMAGIC: Fast Parallel Implementation of a Chi-Squa…

Learning Gibbs distributions using only sufficient statistics has long been recognized as a computationally hard problem. On the other hand, computationally efficient algorithms for learning Gibbs distributions rely on access to full sample…

Computational studies of chemical reactions in complex environments such as proteins, nanostructures, or on surfaces require accurate and efficient atomistic models applicable to the nanometer scale. In general, an accurate parametrization…

A powerful existing technique for evaluating statistical mechanical quantities in two-dimensional Ising models is based on constructing a matrix representing the nearest neighbor spin couplings and then evaluating the Pfaffian of the…

We present Forstand, a new code for constructing dynamical models of galaxies with the Schwarzschild orbit-superposition method. These models are constrained by line-of-sight kinematic observations and applicable to galaxies of all…

We present a new, simple, fast algorithm to numerically evolve disks of inelastically colliding particles surrounding a central star. Our algorithm adds negligible computational cost to the fastest existing collisionless N-body codes, and…

A procedure is described for storing a 2D pattern consisting of 32x32 = 1024 bits in a spin state of a molecular system and then retrieving the stored information as a stack of NMR spectra. The system used is a nematic liquid crystal, the…

Many objects, especially these made by humans, are symmetric, e.g. cars and aeroplanes. This paper addresses the estimation of 3D structures of symmetric objects from multiple images of the same object category, e.g. different cars, seen…

We present MG-GLAM, a code developed for the very fast production of full $N$-body cosmological simulations in modified gravity (MG) models. We describe the implementation, numerical tests and first results of a large suite of cosmological…

Dimensionality reduction of decision variables is a practical and classic method to reduce the computational burden in linear and Nonlinear Model Predictive Control (NMPC). Available results range from early move-blocking ideas to…

We describe the construction of an N-body simulation that mimics the true velocity and mass-density fields in a box of side 256\hmpc about the Local Group , and the production of mock catalogs that mimic in detail current catalogs of…

The denoising diffusion probabilistic model has become a mainstream generative model, achieving significant success in various computer vision tasks. Recently, there has been initial exploration of applying diffusion models to time series…

Large classes of materials systems in physics and engineering are governed by magnetic and electrostatic interactions. Continuum or mesoscale descriptions of such systems can be cast in terms of integral equations, whose direct…

Consider a system of N identical hard spherical particles moving in a d-dimensional box and undergoing elastic, possibly multi-particle, collisions. We develop a new algorithm that recovers the pre-collision state from the post-collision…

Multi-dimensional distributions of discrete data that resemble ellipsoids arise in numerous areas of science, statistics, and computational geometry. We describe a complete algebraic algorithm to determine the quadratic form specifying the…

Scalable spatial GPs for massive datasets can be built via sparse Directed Acyclic Graphs (DAGs) where a small number of directed edges is sufficient to flexibly characterize spatial dependence. The DAG can be used to devise fast algorithms…

The advances in fabrication processes in different material platforms employed in integrated optics are opening the path towards the implementation of circuits with increasing degree of complexity. In addition to the more conventional…

We propose a hybrid deterministic and stochastic approach to achieve extended time scales in atomistic simulations that combines the strengths of molecular dynamics (MD) and Monte Carlo (MC) simulations in an easy-to-implement way. The…

The concept of scalability analysis of numerical parallel applications has been revisited, with the specific goals defined for the performance estimation of research applications. A series of Community Climate Model System (CCSM) numerical…

A micro-macro variant of the parallel-in-time algorithm Parareal has been applied to the ocean-circulation and sea-ice model model FESOM2. The state-of-the-art software in climate research has been developed by the Alfred-Wegener-Institut…

We developed a novel direct algorithm to derive the mass-ratio distribution (MRD) of short-period binaries from an observed sample of single-lined spectroscopic binaries (SB1). The algorithm considers a class of parameterized MRDs and finds…