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Even though the computation of local properties, such as densities or radial distribution functions, remains one of the most standard goals of molecular simulation, it still largely relies on straighforward histogram-based strategies. Here…

Computational Physics · Physics 2020-10-28 Benjamin Rotenberg

Disentangled representations enable models to separate factors of variation that are shared across experimental conditions from those that are condition-specific. This separation is essential in domains such as biomedical data analysis,…

Machine Learning · Computer Science 2025-12-16 Yuli Slavutsky , Ozgur Beker , David Blei , Bianca Dumitrascu

Recent advancements in learning Discrete Representations as opposed to continuous ones have led to state of art results in tasks that involve Language, Audio and Vision. Some latent factors such as words, phonemes and shapes are better…

Machine Learning · Computer Science 2020-04-14 Iordanis Fostiropoulos

The total variation (TV)-seminorm is considered for piecewise polynomial, globally discontinuous (DG) and continuous (CG) finite element functions on simplicial meshes. A novel, discrete variant (DTV) based on a nodal quadrature formula is…

Numerical Analysis · Mathematics 2018-08-17 Marc Herrmann , Roland Herzog , Stephan Schmidt , José Vidal-Núñez , Gerd Wachsmuth

We introduce a data-driven framework for approximating the convex set of $N$-representable two-electron reduced density matrices (2-RDMs). Traditional approaches characterize this set through linear matrix inequalities that define its…

Chemical Physics · Physics 2026-03-09 Luis H. Delgado-Granados , David A. Mazziotti

In this contribution, we develop a variational integrator for the simulation of (stochastic and multiscale) electric circuits. When considering the dynamics of an electrical circuit, one is faced with three special situations: 1. The system…

Numerical Analysis · Mathematics 2011-03-10 Sina Ober-Blöbaum , Molei Tao , Mulin Cheng , Houman Owhadi , Jerrold E. Marsden

We present a simple algorithm for differentiable rendering of surfaces represented by Signed Distance Fields (SDF), which makes it easy to integrate rendering into gradient-based optimization pipelines. To tackle visibility-related…

Graphics · Computer Science 2024-06-10 Zichen Wang , Xi Deng , Ziyi Zhang , Wenzel Jakob , Steve Marschner

The reparameterization trick is widely used in variational inference as it yields more accurate estimates of the gradient of the variational objective than alternative approaches such as the score function method. Although there is…

Machine Learning · Statistics 2018-12-31 Ming Xu , Matias Quiroz , Robert Kohn , Scott A. Sisson

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational…

Machine Learning · Statistics 2022-12-13 Diederik P Kingma , Max Welling

Density matrix exponentiation (DME) is a general procedure that converts an unknown quantum state into the Hamiltonian evolution. This enables state-dependent operations and can reveal nontrivial properties of the state, among other…

Quantum Physics · Physics 2025-09-19 Kaito Wada , Jumpei Kato , Hiroyuki Harada , Naoki Yamamoto

The scattering phase-shifts are invariant under unitary transformations of the Hamiltonian. However, the numerical solution of the scattering problem that requires to discretize the continuum violates this phase-shift invariance among…

Nuclear Theory · Physics 2020-02-12 María Gómez-Rocha , Enrique Ruiz Arriola

Variational integrators are derived for structure-preserving simulation of stochastic forced Hamiltonian systems. The derivation is based on a stochastic discrete Hamiltonian which approximates a type-II stochastic generating function for…

Numerical Analysis · Mathematics 2020-02-07 Michael Kraus , Tomasz M. Tyranowski

The use of episodic memory in continual learning has demonstrated effectiveness for alleviating catastrophic forgetting. In recent studies, gradient-based approaches have been developed to make more efficient use of compact episodic memory.…

Machine Learning · Statistics 2022-04-15 Yu Chen , Tom Diethe , Peter Flach

The variational reduced density matrix theory has been recently applied with great success to models within the truncated doubly-occupied configuration interaction space, which corresponds to the seniority zero subspace. Conservation of the…

Strongly Correlated Electrons · Physics 2018-07-26 A. Rubio-Garcia , D. R. Alcoba , P. Capuzzi , J. Dukelsky

We revisit the "two-component virial theorem" (2VT) in the light of recent theoretical and observational results related to the "dark matter"(DM) problem. This modification of the virial theorem offers a physically meaningful framework to…

Astrophysics of Galaxies · Physics 2018-01-09 Christine C. Dantas , Andre L. B. Ribeiro , Hugo V. Capelato

We present differentiable point-based inverse rendering, DPIR, an analysis-by-synthesis method that processes images captured under diverse illuminations to estimate shape and spatially-varying BRDF. To this end, we adopt point-based…

Computer Vision and Pattern Recognition · Computer Science 2024-03-26 Hoon-Gyu Chung , Seokjun Choi , Seung-Hwan Baek

For backward stochastic Volterra integral equations (BSVIEs, for short), under some mild conditions, the so-called adapted solutions or adapted M-solutions uniquely exist. However, satisfactory regularity of the solutions is difficult to…

Probability · Mathematics 2018-02-13 Tianxiao Wang , Jiongmin Yong

We consider a setting with agents that have preferences over alternatives and are partitioned into disjoint districts. The goal is to choose one alternative as the winner using a mechanism which first decides a representative alternative…

Computer Science and Game Theory · Computer Science 2023-01-10 Aris Filos-Ratsikas , Alexandros A. Voudouris

Many estimators of dynamic discrete choice models with persistent unobserved heterogeneity have desirable statistical properties but are computationally intensive. In this paper we propose a method to quicken estimation for a broad class of…

Econometrics · Economics 2025-04-09 Jackson Bunting , Takuya Ura

Reservoir computing (RC) is attracting attention as a machine-learning technique for edge computing. In time-series classification tasks, the number of features obtained using a reservoir depends on the length of the input series.…

Machine Learning · Computer Science 2025-04-17 Sosei Ikeda , Hiromitsu Awano , Takashi Sato
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