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The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

Machine Learning · Computer Science 2024-11-25 Xiangyu Zhang

We study hypergraph visualization via its topological simplification. We explore both vertex simplification and hyperedge simplification of hypergraphs using tools from topological data analysis. In particular, we transform a hypergraph to…

Human-Computer Interaction · Computer Science 2021-04-23 Youjia Zhou , Archit Rathore , Emilie Purvine , Bei Wang

Algebraic topology (homology) is used to analyze the weakly turbulent state of spiral defect chaos in both laboratory experiments and numerical simulations of Rayleigh-Benard convection.The analysis reveals topological asymmetries that…

Pattern Formation and Solitons · Physics 2009-11-13 Kapilanjan Krishan , Huseyin Kurtuldu , Michael F. Schatz , Marcio Gameiro , Konstantin Mischaikow

This paper aims to maximize algebraic connectivity of networks via topology design under the presence of constraints and an adversary. We are concerned with three problems. First, we formulate the concave maximization topology design…

Optimization and Control · Mathematics 2017-11-15 Tor Anderson , Chin-Yao Chang , Sonia Martinez

In this paper, a new general decomposition theory inspired from modular graph decomposition is presented. Our main result shows that, within this general theory, most of the nice algorithmic tools developed for modular decomposition are…

Data Structures and Algorithms · Computer Science 2007-05-23 Binh Minh Bui Xuan , Michel Habib , Vincent Limouzy , Fabien De Montgolfier

The complexity and non-Euclidean structure of graph data hinder the development of data augmentation methods similar to those in computer vision. In this paper, we propose a feature augmentation method for graph nodes based on topological…

Machine Learning · Computer Science 2021-04-07 Rui Song , Fausto Giunchiglia , Ke Zhao , Hao Xu

This paper presents a mathematically rigorous framework for brain-inspired representation learning founded on the interplay between persistent topological structures and cohomological flows. Neural computation is reformulated as the…

Machine Learning · Computer Science 2025-12-10 Preksha Girish , Rachana Mysore , Mahanthesha U , Shrey Kumar , Shipra Prashant

Graph Contrastive Learning (GCL) has shown superior performance in representation learning in graph-structured data. Despite their success, most existing GCL methods rely on prefabricated graph augmentation and homophily assumptions. Thus,…

Machine Learning · Computer Science 2024-02-27 Teng Xiao , Huaisheng Zhu , Zhengyu Chen , Suhang Wang

We study an analogue of the classical moment problem in the framework where moments are indexed by graphs instead of natural numbers. We study limit objects of graph sequences where edges are labeled by elements of a topological space.…

Combinatorics · Mathematics 2010-10-26 László Lovász , Balázs Szegedy

We introduce the idea of *representation stability* (and several variations) for a sequence of representations V_n of groups G_n. A central application of the new viewpoint we introduce here is the importation of representation theory into…

Representation Theory · Mathematics 2014-02-04 Thomas Church , Benson Farb

Hypergraphs are mathematical models for many problems in data sciences. In recent decades, the topological properties of hypergraphs have been studied and various kinds of (co)homologies have been constructed (cf. [3, 4, 12]). In this…

Algebraic Topology · Mathematics 2018-03-15 Stephane Bressan , Jingyan Li , Shiquan Ren , Jie Wu

This article aims to study the topological invariant properties encoded in node graph representational embeddings by utilizing tools available in persistent homology. Specifically, given a node embedding representation algorithm, we…

Machine Learning · Computer Science 2021-10-12 Mustafa Hajij , Ghada Zamzmi , Xuanting Cai

These notes concern aspects of various graphs whose vertex set is a group $G$ and whose edges reflect group structure in some way (so that they are invariant under the action of the automorphism group of $G$). The graphs I will discuss are…

Group Theory · Mathematics 2021-03-29 Peter J. Cameron

Let the join of two graphs be the union of two disjoint graphs connected by $j$ edges in a one-to-one manner. In previous work by Gyurov and Pinzon, which generalized the results of Badura and Rara, the determinant of the adjacency matrix…

Combinatorics · Mathematics 2025-01-10 Daniel Pinzon , Daniel Pragel , Joshua Roberts

We investigate straight-line drawings of topological graphs that consist of a planar graph plus one edge, also called almost-planar graphs. We present a characterization of such graphs that admit a straight-line drawing. The…

Computational Geometry · Computer Science 2015-07-01 Peter Eades , Seok-Hee Hong , Giuseppe Liotta , Naoki Katoh , Sheung-Hung Poon

Persistent homology is a widely used tool in Topological Data Analysis that encodes multiscale topological information as a multi-set of points in the plane called a persistence diagram. It is difficult to apply statistical theory directly…

Statistics Theory · Mathematics 2013-12-03 Frédéric Chazal , Brittany Terese Fasy , Fabrizio Lecci , Alessandro Rinaldo , Larry Wasserman

A graph drawing in the plane is called an almost embedding if the images of any two non-adjacent simplices (i.e. vertices or edges) are disjoint. Almost embeddings (more precisely, their higher-dimensional analogues) naturally appear in…

Geometric Topology · Mathematics 2026-03-10 E. Alkin , A. Miroshnikov , A. Skopenkov

Multimodal-attributed graphs (MAGs) are a fundamental data structure for multimodal graph learning (MGL), enabling both graph-centric and modality-centric tasks. However, our empirical analysis reveals inherent topology quality limitations…

Machine Learning · Computer Science 2026-03-31 Yinlin Zhu , Xunkai Li , Di Wu , Wang Luo , Miao Hu , Di Wu

Much data with graph structures satisfy the principle of homophily, meaning that connected nodes tend to be similar with respect to a specific attribute. As such, ubiquitous datasets for graph machine learning tasks have generally been…

Machine Learning · Computer Science 2021-07-07 Derek Lim , Xiuyu Li , Felix Hohne , Ser-Nam Lim

For each commutative, graded algebra with finite dimension in each degree, we construct a graded cohomology theory for graphs whose graded Euler characteristic is the chromatic polynomial of the graph. This extends our previous work which…

Quantum Algebra · Mathematics 2007-05-23 Laure Helme-Guizon , Yongwu Rong
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