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The fundamental quantity governing the mechanical and thermodynamic properties of a crystalline solid is its electronic charge density. Yet, its direct use for the rapid prediction of materials properties remains challenging due to its high…

Materials Science · Physics 2026-05-11 Kammampati Sai Kumar , Albert Linda , Shubham Kumar Maurya , Somnath Bhowmick

It is well-known in the field of programming languages that dealing with variable names and binders may lead to conflicts such as undesired captures when implementing interpreters or compilers. This situation has been overcome by resorting…

Logic in Computer Science · Computer Science 2021-10-29 Alexis Martín , Alejandro Ríos , Andrés Viso

The use of Deep Learning hardware algorithms for embedded applications is characterized by challenges such as constraints on device power consumption, availability of labeled data, and limited internet bandwidth for frequent training on…

Machine Learning · Computer Science 2021-02-02 Siqiao Ruan , Ian Colbert , Ken Kreutz-Delgado , Srinjoy Das

The thermodynamic binding networks (TBN) model is a tool for studying engineered molecular systems. The TBN model allows one to reason about their behavior through a simplified abstraction that ignores details about molecular composition,…

Emerging Technologies · Computer Science 2021-05-13 David Haley , David Doty

Dynamic Causal Modeling (DCM) is a Bayesian framework for inferring on hidden (latent) neuronal states, based on measurements of brain activity. Since its introduction in 2003 for functional magnetic resonance imaging data, DCM has been…

Quantitative Methods · Quantitative Biology 2021-04-08 Inês Pereira , Stefan Frässle , Jakob Heinzle , Dario Schöbi , Cao Tri Do , Moritz Gruber , Klaas E. Stephan

We generalise Levy's call-by-push-value (CBPV) to dependent type theory, to gain a better understanding of how to combine dependent types with effects. We define a dependently typed extension of CBPV, dCBPV-, and show that it has a very…

Logic in Computer Science · Computer Science 2016-03-15 Matthijs Vákár

A fully-automated algorithm is developed able to show that evaluation of a given untyped lambda-expression will terminate under CBV (call-by-value). The ``size-change principle'' from first-order programs is extended to arbitrary untyped…

Programming Languages · Computer Science 2015-07-01 Neil D. Jones , Nina Bohr

We introduce a computational framework to statistically infer thermophysical properties of any given wall from in-situ measurements of air temperature and surface heat fluxes. The proposed framework uses these measurements, within a…

Applications · Statistics 2018-08-16 Lia De Simon , Marco Iglesias , Benjamin Jones , Christopher Wood

Deep learning has advanced from fully connected architectures to structured models organized into components, e.g., the transformer composed of positional elements, modular architectures divided into slots, and graph neural nets made up of…

Machine Learning · Computer Science 2021-07-13 Dianbo Liu , Alex Lamb , Kenji Kawaguchi , Anirudh Goyal , Chen Sun , Michael Curtis Mozer , Yoshua Bengio

The contextual multi-armed bandit (MAB) is a widely used framework for problems requiring sequential decision-making under uncertainty, such as recommendation systems. In applications involving a large number of users, the performance of…

Machine Learning · Computer Science 2025-02-05 Zhiyong Wang , Jiahang Sun , Mingze Kong , Jize Xie , Qinghua Hu , John C. S. Lui , Zhongxiang Dai

Beyond estimating parameters of interest from data, one of the key goals of statistical inference is to properly quantify uncertainty in these estimates. In Bayesian inference, this uncertainty is provided by the posterior distribution, the…

Machine Learning · Computer Science 2025-01-03 Daniela de Albuquerque , John Pearson

This article presents a systematic method for designing time-varying Control Barrier Functions (CBF) composed of a time-invariant component and multiple time-dependent components, leveraging structural properties of the system dynamics. The…

Systems and Control · Electrical Eng. & Systems 2025-12-10 Adrian Wiltz , Dimos V. Dimarogonas

We study the $\beta$-model ($\beta$-NG) and the Bayesian Naming Game (BNG) as dynamical systems. By applying linear stability analysis to the dynamical system associated with the $\beta$-model, we demonstrate the existence of a non-generic…

Physics and Society · Physics 2024-06-25 Gionni Marchetti

The architectures of deep neural networks (DNN) rely heavily on the underlying grid structure of variables, for instance, the lattice of pixels in an image. For general high dimensional data with variables not associated with a grid, the…

Machine Learning · Statistics 2024-08-07 Lixiang Zhang , Lin Lin , Jia Li

Among various recommender techniques, collaborative filtering (CF) is the most successful one. And a key problem in CF is how to represent users and items. Previous works usually represent a user (an item) as a vector of latent factors…

Information Retrieval · Computer Science 2021-02-08 Gongshan He , Dongxing Zhao , Lixin Ding

We study the weak call-by-value $\lambda$-calculus as a model for computational complexity theory and establish the natural measures for time and space -- the number of beta-reductions and the size of the largest term in a computation -- as…

Computational Complexity · Computer Science 2022-12-09 Yannick Forster , Fabian Kunze , Marc Roth

The promise of chemical computation lies in controlling systems incompatible with traditional electronic micro-controllers, with applications in synthetic biology and nano-scale manufacturing. Computation is typically embedded in…

Emerging Technologies · Computer Science 2019-02-11 Keenan Breik , Chris Thachuk , Marijn Heule , David Soloveichik

Generative molecular design has moved from proof-of-concept to real-world applicability, as marked by the surge in very recent papers reporting experimental validation. Key challenges in explainability and sample efficiency present…

Biomolecules · Quantitative Biology 2024-03-05 Jeff Guo , Philippe Schwaller

The one-dimensional kinetic equation with integral of collisions type BGK (Bhatnagar, Gross and Krook) and frequency of collisions affine depending on the module of molecular velocity is constructed. Laws of preservation of number of…

Mathematical Physics · Physics 2014-03-11 A. L. Bugrimov , A. V. Latyshev , A. A. Yushkanov

We report on a numerical investigation in which memory characteristics of double floating-gate (DFG) structure were compared to those of the conventional single floating-gate structure, including an interference effect between two cells. We…

Mesoscale and Nanoscale Physics · Physics 2015-05-18 Tetsufumi Tanamoto , Kouichi Muraoka