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Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

We show a correspondence between a classification of maximal abelian sub-algebras (MASAs) proposed by Jacques Dixmier and fragments of linear logic. We expose for this purpose a modified construction of Girard's hyperfinite geometry of…

Logic · Mathematics 2016-08-03 Thomas Seiller

We present a method for associating labeled directed graphs to finite-dimensional Lie algebras, thereby enabling rapid identification of key structural algebraic features. To formalize this approach, we introduce the concept of…

Mathematical Physics · Physics 2026-01-23 Tim Heib , David Edward Bruschi

Complex systems consist of interacting units whose interactions may be pairwise, involving two units, or higher-order, involving more than two units simultaneously. Graphs capture pairwise interactions and represent such systems as…

General Mathematics · Mathematics 2026-03-17 Hiren J. Dhameliya , Udit Raj , Sudeepto Bhattacharya

Detecting human-object interactions (HOIs) is an intricate challenge in the field of computer vision. Existing methods for HOI detection heavily rely on appearance-based features, but these may not fully capture all the essential…

Computer Vision and Pattern Recognition · Computer Science 2023-07-04 Lijing Zhu , Qizhen Lan , Alvaro Velasquez , Houbing Song , Acharya Kamal , Qing Tian , Shuteng Niu

Multi-turn instruction following is essential for building intelligent conversational systems that can consistently adhere to instructions across dialogue turns. However, existing approaches to enhancing multi-turn instruction following…

Computation and Language · Computer Science 2026-03-26 Zhenhe Li , Can Lin , Ling Zheng , Wen-Da Wei , Junli Liang , Qi Song

Modal logics have proved useful for many reasoning tasks in symbolic artificial intelligence (AI), such as belief revision, spatial reasoning, among others. On the other hand, mathematical morphology (MM) is a theory for non-linear analysis…

Artificial Intelligence · Computer Science 2023-03-10 Marc Aiguier , Isabelle Bloch , Salim Nibouche , Ramon Pino Perez

A graphical model is a statistical model that is associated to a graph whose nodes correspond to variables of interest. The edges of the graph reflect allowed conditional dependencies among the variables. Graphical models admit…

Methodology · Statistics 2016-06-09 Mathias Drton , Marloes H. Maathuis

We try to bring to light some combinatorial structure underlying formal proofs in logic. We do this through the study of the Craig Interpolation Theorem which is properly a statement about the structure of formal derivations. We show that…

Logic · Mathematics 2016-09-06 Alessandra Carbone

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

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

Although contemporary model theory has been called "algebraic geometry minus fields", the formal methods of the two fields are radically different. This dissertation aims to shrink that gap by presenting a theory of logical schemes,…

Logic · Mathematics 2014-02-12 Spencer Breiner

Directed mixed graphs permit directed and bidirected edges between any two vertices. They were first considered in the path analysis developed by Sewall Wright and play an essential role in statistical modeling. We introduce a matrix…

Statistics Theory · Mathematics 2024-07-23 Qingyuan Zhao

We study a system, called NEL, which is the mixed commutative/non-commutative linear logic BV augmented with linear logic's exponentials. Equivalently, NEL is MELL augmented with the non-commutative self-dual connective seq. In this paper,…

Logic in Computer Science · Computer Science 2022-07-01 Lutz Strassburger , Alessio Guglielmi

The concept of geometric-arithmetic index was introduced in the chemical graph theory recently, but it has shown to be useful. The aim of this paper is to obtain new inequalities involving the geometric-arithmetic index $GA_1$ and…

Combinatorics · Mathematics 2020-04-07 Domingo Pestana , Jose María Sigarreta , Eva Tourís

The present paper upgrades the logical model required to exploit materialized views over property graphs as intended in the seminal paper "A Join Operator for Property Graphs". Furthermore, we provide some computational complexity proofs…

Logic in Computer Science · Computer Science 2021-06-29 Giacomo Bergami

This paper considers two logics. The first one, $\mathbf{K}\mathsf{G}_\mathsf{inv}$, is an expansion of the G\"odel modal logic $\mathbf{K}\mathsf{G}$ with the involutive negation $\sim_\mathsf{i}$ defined as…

Logic · Mathematics 2024-01-30 Marta Bilkova , Thomas Ferguson , Daniil Kozhemiachenko

Understanding the decision-making process of Graph Neural Networks (GNNs) is crucial to their interpretability. Most existing methods for explaining GNNs typically rely on training auxiliary models, resulting in the explanations remain…

Machine Learning · Computer Science 2024-01-29 Shengyao Lu , Keith G. Mills , Jiao He , Bang Liu , Di Niu

Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based…

Machine Learning · Computer Science 2024-10-24 John Arevalo , Ellen Su , Anne E Carpenter , Shantanu Singh

The richness in the content of various information networks such as social networks and communication networks provides the unprecedented potential for learning high-quality expressive representations without external supervision. This…

Machine Learning · Computer Science 2020-02-06 Zhen Peng , Wenbing Huang , Minnan Luo , Qinghua Zheng , Yu Rong , Tingyang Xu , Junzhou Huang