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The Metropolis-Hastings algorithm allows one to sample asymptotically from any probability distribution $\pi$. There has been recently much work devoted to the development of variants of the MH update which can handle scenarios where such…

统计计算 · 统计学 2018-03-28 Christophe Andrieu , Arnaud Doucet , Sinan Yıldırım , Nicolas Chopin

Learning the structure of a Bayesian Network (BN) with score-based solutions involves exploring the search space of possible graphs and moving towards the graph that maximises a given objective function. Some algorithms offer exact…

机器学习 · 计算机科学 2022-05-03 Anthony C. Constantinou , Yang Liu , Neville K. Kitson , Kiattikun Chobtham , Zhigao Guo

A study of magnetic avalanches in Perminvar, an Fe-Ni-Co alloy, shows that some avalanches are almost exactly reproducible from one magnetic field cycle to the next, while others show significant variability. Averaging over many cycles…

adap-org · 物理学 2008-02-03 J. S. Urbach , R. C. Madison , J. T. Markert

We present an entirely new geometric and probabilistic approach to synchronization of correspondences across multiple sets of objects or images. In particular, we present two algorithms: (1) Birkhoff-Riemannian L-BFGS for optimizing the…

计算机视觉与模式识别 · 计算机科学 2019-04-12 Tolga Birdal , Umut Şimşekli

A general method is presented for modeling high entropy alloys as ensembles of randomly sampled, ordered configurations on a given lattice. Statistical mechanics is applied post hoc to derive the ensemble properties as a function of…

材料科学 · 物理学 2022-11-24 Andrew Novick , Quan Nguyen , Roman Garnett , Eric Toberer , Vladan Stevanović

We present a scale-bridging approach based on a multi-fidelity (MF) machine-learning (ML) framework leveraging Gaussian processes (GP) to fuse atomistic computational model predictions across multiple levels of fidelity. Through the…

计算物理 · 物理学 2020-08-06 Anh Tran , Julien Tranchida , Tim Wildey , Aidan P. Thompson

Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their applicability. Here, we present a feasible approach for constructing a…

Multivariate normal (MVN) probabilities arise in myriad applications, but they are analytically intractable and need to be evaluated via Monte-Carlo-based numerical integration. For the state-of-the-art minimax exponential tilting (MET)…

统计计算 · 统计学 2026-01-28 Jian Cao , Matthias Katzfuss

Predicting the melting temperature (Tm) of multi-component and high-entropy alloys (HEAs) is critical for high-temperature applications but computationally expensive using traditional CALPHAD or DFT methods. In this work, we develop a…

材料科学 · 物理学 2026-01-08 Mohd Hasnain

We present a practical algorithm for partially relaxing multiwell energy densities such as pertain to materials undergoing martensitic phase transitions. The algorithm is based on sequential lamination, but the evolution of the…

材料科学 · 物理学 2015-06-24 S. Aubry , M. Fago , M. Ortiz

In this work, a thermo-mechanical model that predicts the actuation response of shape memory alloys is probabilistically calibrated against three experimental data sets simultaneously. Before calibration, a design of experiments (DOE) has…

应用统计 · 统计学 2019-05-22 Pejman Honarmandi , Alex Solomou , Raymundo Arroyave , Dimitris Lagoudas

We present a novel finite element analysis of inelastic structures containing Shape Memory Alloys (SMAs). Phenomenological constitutive models for SMAs lead to material nonlinearities, that require substantial computational effort to…

计算工程、金融与科学 · 计算机科学 2022-01-05 Ziliang Kang , Daniel A. Tortorelli , Kai A. James

Machine learning potentials (MLPs) developed from extensive datasets constructed from density functional theory (DFT) calculations have become increasingly appealing for many researchers. This paper presents a framework of polynomial-based…

材料科学 · 物理学 2022-09-29 Atsuto Seko

The model of the current paper is an extension of a previous publication, wherein we used the leaky integrate-and-fire model on a regular lattice with periodic boundary conditions, and introduced the temporal complexity as a genuine…

无序系统与神经网络 · 物理学 2016-12-14 Mohammad Dehghani Habibabadi , Marzieh Zare , Farhad Shahbazi , Javad Usefie-Mafahim , Paolo Grigolini

High-entropy alloys (HEAs) exhibit exceptional properties arising from a combination of thermodynamic, kinetic and structural factors and have found applications in numerous fields such as aerospace, energy, chemical industries, hydrogen…

材料科学 · 物理学 2025-11-18 Manish Sahoo , Akash Deshmukh , Yash Kokane , Jayaprakash H M , Raghavan Ranganathan

We propose a novel sampling framework for inference in probabilistic models: an active learning approach that converges more quickly (in wall-clock time) than Markov chain Monte Carlo (MCMC) benchmarks. The central challenge in…

机器学习 · 统计学 2014-11-04 Tom Gunter , Michael A. Osborne , Roman Garnett , Philipp Hennig , Stephen J. Roberts

We give a stochastic model for the fragmentation phase of a snow avalanche. We construct a fragmentation-branching process related to the avalanches, on the set of all fragmentation sizes introduced by J. Bertoin. A fractal property of this…

概率论 · 数学 2016-02-17 Lucian Beznea , Madalina Deaconu , Oana Lupascu

The path probability method (PPM), which is a natural extension of the cluster variation method (CVM) to a time domain, has been employed in a relaxation process of atomic configurations in alloy systems. Although the vacancy mechanism is…

材料科学 · 物理学 2019-07-26 Ryo Yamada , Tetsuo Mohri

In this article, we revisit the problem of fitting a mixture model under the assumption that the mixture components are symmetric and log-concave. To this end, we first study the nonparametric maximum likelihood estimation (NPMLE) of a…

统计方法学 · 统计学 2018-02-28 Xiao Pu , Ery Arias-Castro

We describe random generation algorithms for a large class of random combinatorial objects called Schur processes, which are sequences of random (integer) partitions subject to certain interlacing conditions. This class contains several…