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Atomistic models like tight-binding (TB), bond-order potentials (BOP) and classical potentials describe the interatomic interaction in terms of mathematical functions with parameters that need to be adjusted for a particular material. The…

Computational Physics · Physics 2019-07-30 Alvin Noe Ladines , Thomas Hammerschmidt , Ralf Drautz

Many studies have observed that modern neural networks achieve high accuracy while producing poorly calibrated probabilities, making calibration a critical practical issue. In this work, we propose probability bounding (PB), a novel…

Machine Learning · Statistics 2026-02-24 Kyohei Atarashi , Satoshi Oyama , Hiromi Arai , Hisashi Kashima

This paper presents the SPARE C++ library, an open source software tool conceived to build pattern recognition and soft computing systems. The library follows the requirement of the generality: most of the implemented algorithms are able to…

Computer Vision and Pattern Recognition · Computer Science 2015-02-23 Lorenzo Livi , Guido Del Vescovo , Antonello Rizzi , Fabio Massimo Frattale Mascioli

We explore training Binary Neural Networks (BNNs) as a discrete variable inference problem over a factor graph. We study the behaviour of this conversion in an under-parameterized BNN setting and propose stochastic versions of Belief…

Machine Learning · Computer Science 2022-04-06 Amir Khoshaman , Giuseppe Castiglione , Christopher Srinivasa

PENLAB is an open source software package for nonlinear optimization, linear and nonlinear semidefinite optimization and any combination of these. It is written entirely in MATLAB. PENLAB is a young brother of our code PENNON \cite{pennon}…

Optimization and Control · Mathematics 2013-11-22 Jan Fiala , Michal Kočvara , Michael Stingl

A transcompiler, also known as source-to-source translator, is a system that converts source code from a high-level programming language (such as C++ or Python) to another. Transcompilers are primarily used for interoperability, and to port…

Computation and Language · Computer Science 2020-09-23 Marie-Anne Lachaux , Baptiste Roziere , Lowik Chanussot , Guillaume Lample

We present a general framework for good CNF-representations of boolean constraints, to be used for translating decision problems into SAT problems (i.e., deciding satisfiability for conjunctive normal forms). We apply it to the…

Computational Complexity · Computer Science 2014-08-06 Matthew Gwynne , Oliver Kullmann

We present CombOL (Combinatorial Objects Library), an open-source library for the enumeration and Boltzmann sampling of combinatorial classes. Classes can be specified by a concise string syntax, and may depend on an arbitrary number of…

Mathematical Software · Computer Science 2026-05-07 Casper Asbjørn Eriksen , Daniel Merkle

Boolean Networks (BNs) are established models to qualitatively describe biological systems. The analysis of BNs might be infeasible for medium to large BNs due to the state-space explosion problem. We propose a novel reduction technique…

Computational Engineering, Finance, and Science · Computer Science 2021-07-01 Georgios Argyris , Alberto Lluch Lafuente , Mirco Tribastone , Max Tschaikowski , Andrea Vandin

Constraint Handling Rules provide descriptions for constraint solvers. However, they fall short when those constraints specify some binding structure, like higher-rank types in a constraint-based type inference algorithm. In this paper, the…

Logic in Computer Science · Computer Science 2017-07-11 Alejandro Serrano , Jurriaan Hage

This report provides an introduction to the ensmallen numerical optimization library, as well as a deep dive into the technical details of how it works. The library provides a fast and flexible C++ framework for mathematical optimization of…

Mathematical Software · Computer Science 2023-11-16 Ryan R. Curtin , Marcus Edel , Rahul Ganesh Prabhu , Suryoday Basak , Zhihao Lou , Conrad Sanderson

Numerical discretisations of partial differential equations (PDEs) can be written as discrete convolutions, which, themselves, are a key tool in AI libraries and used in convolutional neural networks (CNNs). We therefore propose to…

Fluid Dynamics · Physics 2025-11-06 Boyang Chen , Claire E. Heaney , Christopher C. Pain

The best current methods for exactly computing the number of satisfying assignments, or the satisfying probability, of Boolean formulas can be seen, either directly or indirectly, as building 'decision-DNNF' (decision decomposable negation…

Databases · Computer Science 2013-09-27 Paul Beame , Jerry Li , Sudeepa Roy , Dan Suciu

Computing the exact optimal experimental design has been a longstanding challenge in various scientific fields. This problem, when formulated using a specific information function, becomes a mixed-integer nonlinear programming (MINLP)…

Methodology · Statistics 2024-09-30 Ling Liang , Haizhao Yang

BRBVS is a publicly available \texttt{R} package on CRAN that implements the algorithm proposed in Petti et al.(2024a). The algorithm was developed as the first proposal of variable selection for the class of Bivariate Survival Copula…

Methodology · Statistics 2025-01-23 Danilo Petti , Marcella Niglio , Marialuisa Restaino

Many applications are being written in more than one language to take advantage of the features that different languages provide such as native code support, improved performance, and language-specific libraries. However, there are few…

Software Engineering · Computer Science 2023-05-19 Kishanthan Thangarajah , Noble Mathews , Michael Pu , Meiyappan Nagappan , Yousra Aafer , Sridhar Chimalakonda

A non-binary Constraint Satisfaction Problem (CSP) can be solved directly using extended versions of binary techniques. Alternatively, the non-binary problem can be translated into an equivalent binary one. In this case, it is generally…

Artificial Intelligence · Computer Science 2011-09-28 N. Samaras , K. Stergiou

Summary: Biospectrogam is an open-source software for the spectral analysis of DNA and protein sequences. The software can fetch (from NCBI server), import and manage biological data. One can analyze the data using Digital Signal Processing…

Quantitative Methods · Quantitative Biology 2012-10-05 Naman Turakhia , Nilay Chheda , Manish K. Gupta , Ruchin Shah , Jigar Raisinghani

Limbo is an open-source C++11 library for Bayesian optimization which is designed to be both highly flexible and very fast. It can be used to optimize functions for which the gradient is unknown, evaluations are expensive, and runtime cost…

Machine Learning · Computer Science 2016-11-23 Antoine Cully , Konstantinos Chatzilygeroudis , Federico Allocati , Jean-Baptiste Mouret

Answer set programming (ASP) is a well-established knowledge representation formalism. Most ASP solvers are based on (extensions of) technology from Boolean satisfiability solving. While these solvers have shown to be very successful in…

Logic in Computer Science · Computer Science 2020-09-23 Wolf De Wulf , Bart Bogaerts