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Molecular dynamics (MD) simulations enable the study of the motion of small and large (bio)molecules and the estimation of their conformational ensembles. The description of the environment (solvent) has thereby a large impact. Implicit…

Chemical Physics · Physics 2023-05-25 Paul Katzberger , Sereina Riniker

Recent advances in the integration of deep learning with automated theorem proving have centered around the representation of logical formulae as inputs to deep learning systems. In particular, there has been a growing interest in adapting…

Artificial Intelligence · Computer Science 2020-06-08 Maxwell Crouse , Ibrahim Abdelaziz , Cristina Cornelio , Veronika Thost , Lingfei Wu , Kenneth Forbus , Achille Fokoue

The number theoretic analogue of a net in metric geometry suggests new problems and results in combinatorial and additive number theory. For example, for a fixed integer g > 1, the study of h-nets in the additive group of integers with…

Number Theory · Mathematics 2017-10-16 Melvyn B. Nathanson

Models of complex systems are widely used in the physical and social sciences, and the concept of layering, typically building upon graph-theoretic structure, is a common feature. We describe an intuitionistic substructural logic called…

Logic in Computer Science · Computer Science 2023-06-22 Simon Docherty , David Pym

Why should computers interpret language incrementally? In recent years psycholinguistic evidence for incremental interpretation has become more and more compelling, suggesting that humans perform semantic interpretation before constituent…

cmp-lg · Computer Science 2016-08-31 David Milward , Robin Cooper

Real networks are finite metric spaces. Yet the geometry induced by shortest path distances in a network is definitely not its only geometry. Other forms of network geometry are the geometry of latent spaces underlying many networks, and…

This paper begins the exploration of what we call measures of association between two irreducible complex projective varieties of the same dimension. The idea is to study from various points of view the minimal complexity of correspondences…

Algebraic Geometry · Mathematics 2021-12-03 Robert Lazarsfeld , Olivier Martin

We use traced monoidal categories to give a precise general version of "geometry of interaction". We give a number of examples of both "particle-style" and "wave-style" instances of this construction. We relate these ideas to semantics of…

Logic in Computer Science · Computer Science 2014-01-22 Samson Abramsky

Network graphs have become a popular tool to represent complex systems composed of many interacting subunits; especially in neuroscience, network graphs are increasingly used to represent and analyze functional interactions between neural…

Information Theory · Computer Science 2015-11-24 Patricia Wollstadt , Ulrich Meyer , Michael Wibral

Differential equations are a ubiquitous tool to study dynamics, ranging from physical systems to complex systems, where a large number of agents interact through a graph with non-trivial topological features. Data-driven approximations of…

Statistical Mechanics · Physics 2024-04-26 Vaiva Vasiliauskaite , Nino Antulov-Fantulin

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

The relationship between algebraic geometry and the inferential framework of the Bayesian Networks with hidden variables has now been fruitfully explored and exploited by a number of authors. More recently the algebraic formulation of…

Methodology · Statistics 2007-09-24 Eva Riccomagno , Jim Q Smith

In this paper we propose an algebraic formalization of connectors in the quantitative setting, in order to address their non-functional features in architectures of component-based systems. We firstly present a weighted Algebra of…

Logic in Computer Science · Computer Science 2022-09-22 Christina Chrysovalanti Fountoukidou , Maria Pittou

The classical development of neural networks has been primarily for mappings between a finite-dimensional Euclidean space and a set of classes, or between two finite-dimensional Euclidean spaces. The purpose of this work is to generalize…

Graph Neural Networks (GNNs) have emerged as powerful tools for learning representations of graph-structured data, demonstrating remarkable performance across various tasks. Recognising their importance, there has been extensive research…

Machine Learning · Computer Science 2025-01-06 Akshit Sinha , Sreeram Vennam , Charu Sharma , Ponnurangam Kumaraguru

G\"odel modal logics can be seen as extenions of intutionistic modal logics with the prelinearity axiom. In this paper we focus on the algebraic and relational semantics for G\"odel modal logics that leverages on the duality between finite…

Logic · Mathematics 2021-12-07 Tommaso Flaminio , Lluis Godo , Paula Menchón , Ricardo O. Rodriguez

Machine reading comprehension (MRC) poses new challenges over logical reasoning, which aims to understand the implicit logical relations entailed in the given contexts and perform inference over them. Due to the complexity of logic, logical…

Computation and Language · Computer Science 2023-06-22 Jialin Chen , Zhuosheng Zhang , Hai Zhao

Designing expressive Graph Neural Networks (GNNs) is a central topic in learning graph-structured data. While numerous approaches have been proposed to improve GNNs in terms of the Weisfeiler-Lehman (WL) test, generally there is still a…

Machine Learning · Computer Science 2024-02-13 Bohang Zhang , Shengjie Luo , Liwei Wang , Di He

Mathematically representing the shape of an object is a key ingredient for solving inverse rendering problems. Explicit representations like meshes are efficient to render in a differentiable fashion but have difficulties handling topology…

Graphics · Computer Science 2022-07-12 Guangyan Cai , Kai Yan , Zhao Dong , Ioannis Gkioulekas , Shuang Zhao

This is a short presentation of some classical results on finite dimensional complex Lie algebras (classification of nilpotent Lie algebras, deformations and perturbations, contractions and rigidity). We present some applications to…

Rings and Algebras · Mathematics 2008-05-06 Michel Goze
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