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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…

生物大分子 · 定量生物学 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…

逻辑 · 数学 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…

数学物理 · 物理学 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…

综合数学 · 数学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算与语言 · 计算机科学 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…

人工智能 · 计算机科学 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…

统计方法学 · 统计学 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…

逻辑 · 数学 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…

计算机科学中的逻辑 · 计算机科学 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…

人工智能 · 计算机科学 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,…

逻辑 · 数学 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…

统计理论 · 数学 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,…

计算机科学中的逻辑 · 计算机科学 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…

组合数学 · 数学 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…

计算机科学中的逻辑 · 计算机科学 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…

逻辑 · 数学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2020-02-06 Zhen Peng , Wenbing Huang , Minnan Luo , Qinghua Zheng , Yu Rong , Tingyang Xu , Junzhou Huang