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We describe the screened Korringa-Kohn-Rostoker (KKR) method and the third-generation linear muffin-tin orbital (LMTO) method for solving the single-particle Schroedinger equation for a MT potential. The simple and popular formalism which…

Condensed Matter · Physics 2007-05-23 O. K. Andersen , C. Arcangeli , R. W. Tank , T. Saha-Dasgupta , G. Krier , O. Jepsen , I. Dasgupta

Stochastic Beta Relaxation (SBR) is a model for the dynamics of glass- forming liquids close to the glass transition singularity of the idealized mode- coupling theory (MCT) that has been derived from generic MCT-like theories by applying…

Disordered Systems and Neural Networks · Physics 2015-04-24 Tommaso Rizzo , Thomas Voigtmann

Tensor decompositions play a crucial role in numerous applications related to multi-way data analysis. By employing a Bayesian framework with sparsity-inducing priors, Bayesian Tensor Ring (BTR) factorization offers probabilistic estimates…

Machine Learning · Computer Science 2024-12-05 Zerui Tao , Toshihisa Tanaka , Qibin Zhao

Time boundaries (TBs), temporal analogues of spatial interfaces, offer a powerful handle to engineer quantum systems. However, unlike the well-developed stationary scattering theory at spatial interfaces, a unified framework for quantum…

Mesoscale and Nanoscale Physics · Physics 2026-05-06 Haiping Hu

We introduce a new residual-bridge proposal for approximately simulating conditioned diffusions. This proposal is formed by applying the modified diffusion bridge approximation of Durham and Gallant (2002) to the difference between the true…

Computation · Statistics 2016-08-24 Sean Malory , Chris Sherlock

Non-stationarity poses significant challenges for multivariate time series forecasting due to the inherent short-term fluctuations and long-term trends that can lead to spurious regressions or obscure essential long-term relationships. Most…

Machine Learning · Computer Science 2025-05-16 Peiyuan Liu , Beiliang Wu , Yifan Hu , Naiqi Li , Tao Dai , Jigang Bao , Shu-tao Xia

Density ratio estimation is fundamental to tasks involving $f$-divergences, yet existing methods often fail under significantly different distributions or inadequately overlapping supports -- the density-chasm and the support-chasm…

Machine Learning · Computer Science 2025-11-04 Wei Chen , Shigui Li , Jiacheng Li , Junmei Yang , John Paisley , Delu Zeng

Machine learning-based unfolding has enabled unbinned and high-dimensional differential cross section measurements. Two main approaches have emerged in this research area: one based on discriminative models and one based on generative…

High Energy Physics - Phenomenology · Physics 2026-03-27 Sascha Diefenbacher , Guan-Horng Liu , Vinicius Mikuni , Benjamin Nachman , Weili Nie

This paper develops new variance-reduction techniques for the forward-reflected-backward splitting (FRBS) method to solve a class of possibly nonmonotone stochastic composite inclusions. Unlike unbiased estimators such as mini-batching,…

Machine Learning · Computer Science 2026-03-17 Quoc Tran-Dinh , Nghia Nguyen-Trung

We introduce $n$-parameter $\Rd$-valued Brownian-time Brownian sheet (BTBS): a Brownian sheet where each "time" parameter is replaced with the modulus of an independent Brownian motion. We then connect BTBS to a new system of $n$ linear,…

Probability · Mathematics 2014-07-23 Hassan Allouba

A data-driven framework for spatial-temporal prediction is proposed for reducing the computational cost of industrial thermal striping applications. The framework aims to efficiently identify the flow features and utilize them in…

Fluid Dynamics · Physics 2023-06-01 Yu-Jou Wang , Emilio Baglietto , Koroush Shirvan

We introduce a low-rank framework for adaptive isogeometric analysis with truncated hierarchical B-splines (THB-splines) that targets the main bottleneck of local refinement: memory- and time-intensive matrix assembly once the global…

Numerical Analysis · Mathematics 2025-09-12 Tom-Christian Riemer , Martin Stoll

We investigate the optimal structure of dynamic regression models used in multivariate time series prediction and propose a scheme to form the lagged variable structure called Backward-in-Time Selection (BTS) that takes into account…

Applications · Statistics 2013-01-14 Ioannis Vlachos , Dimitris Kugiumtzis

Simulating trajectories of multi-particle systems on complex energy landscapes is a central task in molecular dynamics (MD) and drug discovery, but remains challenging at scale due to computationally expensive and long simulations. Previous…

Machine Learning · Computer Science 2025-11-11 Sophia Tang , Yinuo Zhang , Pranam Chatterjee

Transformers are the de-facto choice for sequence modelling, yet their quadratic self-attention and weak temporal bias can make long-range forecasting both expensive and brittle. We introduce FreezeTST, a lightweight hybrid that interleaves…

Machine Learning · Computer Science 2025-10-21 Pradeep Singh , Mehak Sharma , Anupriya Dey , Balasubramanian Raman

This contribution proposes a recursive set-membership method for the ellipsoidal state characterization for discrete-time linear time-varying models with additive unknown disturbances vectors, bounded by possibly degenerate zonotopes and…

Systems and Control · Electrical Eng. & Systems 2023-09-15 Yasmina Becis-Aubry

Consider a semimartingale reflecting Brownian motion (SRBM) $Z$ whose state space is the $d$-dimensional nonnegative orthant. The data for such a process are a drift vector $\theta$, a nonsingular $d\times d$ covariance matrix $\Sigma$, and…

Probability · Mathematics 2010-09-30 Maury Bramson , J. G. Dai , J. M. Harrison

The Schr\"{o}dinger Bridge Problem (SBP), which can be understood as an entropy-regularized optimal transport, seeks to compute stochastic dynamic mappings connecting two given distributions. SBP has shown significant theoretical importance…

Optimization and Control · Mathematics 2025-03-25 Yang Jing , Lei Li , Jingtong Zhang

We develop time-series machine learning (ML) methods for closure modeling of the Unsteady Reynolds Averaged Navier Stokes (URANS) equations applied to stably stratified turbulence (SST). SST is strongly affected by fine balances between…

Fractional calculus has become an essential framework in geophysics, optics, and biological systems to capture long-range correlations and anomalous transport. In this article, we extend fractional calculus to explore a particle in a…

Quantum Physics · Physics 2025-11-25 Brenden R. Guyette , Joshua M. Lewis , Lincoln D. Carr