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Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

Machine Learning · Computer Science 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Based on high precision computation of periods and lattice reduction techniques, we compute the Picard group of smooth surfaces. We also study the lattice reduction technique that is employed in order to quantify the possibility of…

Algebraic Geometry · Mathematics 2023-06-12 Pierre Lairez , Emre Can Sertöz

Finding the k-medianin a network involves identifying a subset of k vertices that minimize the total distance to all other vertices in a graph. This problem has been extensively studied in computer science, graph theory, operations…

Data Structures and Algorithms · Computer Science 2023-12-14 Roldan Pozo

We inductively define layers of colorings of knot and knotted surface diagrams using ternary quasigroups. Homological invariants from such systems of colorings use shorter differentials and of higher degree than the standard homology…

Geometric Topology · Mathematics 2019-03-27 Maciej Niebrzydowski

Deep learning has received considerable empirical successes in recent years. However, while many ad hoc tricks have been discovered by practitioners, until recently, there has been a lack of theoretical understanding for tricks invented in…

Machine Learning · Computer Science 2020-12-29 Cong Fang , Hanze Dong , Tong Zhang

We derive an integral formula for the linking number of two submanifolds of the n-sphere S^n, of the product S^n x R^m, and of other manifolds which appear as "nice" hypersurfaces in Euclidean space. The formulas are geometrically…

Geometric Topology · Mathematics 2011-10-07 Clayton Shonkwiler , David Shea Vela-Vick

Under suitable conditions on the range of the Gauss map of a complete submanifold of Euclidean space with parallel mean curvature, we construct a strongly subharmonic function and derive a-priori estimates for the harmonic Gauss map. The…

Differential Geometry · Mathematics 2010-09-21 J. Jost , Y. L. Xin , Ling Yang

Inferring temporal interaction graphs and higher-order structure from neural signals is a key problem in building generative models for systems neuroscience. Foundation models for large-scale neural data represent shared latent structures…

Machine Learning · Computer Science 2025-08-26 Nathan X. Kodama , Kenneth A. Loparo

Deep neural network models have become ubiquitous in recent years, and have been applied to nearly all areas of science, engineering, and industry. These models are particularly useful for data that have strong dependencies in space (e.g.,…

Machine Learning · Statistics 2022-06-07 Christopher K. Wikle , Andrew Zammit-Mangion

Deep learning has achieved impressive prediction accuracies in a variety of scientific and industrial domains. However, the nested non-linear feature of deep learning makes the learning highly non-transparent, i.e., it is still unknown how…

Machine Learning · Computer Science 2020-10-26 Chan Li , Haiping Huang

Large-scale deep neural networks consume expensive training costs, but the training results in less-interpretable weight matrices constructing the networks. Here, we propose a mode decomposition learning that can interpret the weight…

Machine Learning · Computer Science 2023-04-13 Chan Li , Haiping Huang

Deep learning-based approaches, particularly graph neural networks (GNNs), have gained prominence in simulating flexible deformations and contacts of solids, due to their ability to handle unstructured physical fields and nonlinear…

Machine Learning · Computer Science 2026-04-07 Zhe Feng , Shilong Tao , Haonan Sun , Shaohan Chen , Zhanxing Zhu , Yunhuai Liu

Deep learning in molecular and materials sciences is limited by the lack of integration between applied science, artificial intelligence, and high-performance computing. Bottlenecks with respect to the amount of training data, the size and…

Machine Learning · Computer Science 2021-12-08 Nathan C. Frey , Siddharth Samsi , Joseph McDonald , Lin Li , Connor W. Coley , Vijay Gadepally

We consider the problem of classifying linear systems of hypersurfaces (of a fixed degree) in some projective space up to projective equivalence via geometric invariant theory (GIT). We provide an explicit criterion that solves the problem…

Algebraic Geometry · Mathematics 2022-12-29 Masafumi Hattori , Aline Zanardini

Finding patterns in graphs is a fundamental problem in databases and data mining. In many applications, graphs are temporal and evolve over time, so we are interested in finding durable patterns, such as triangles and paths, which persist…

Databases · Computer Science 2024-03-26 Pankaj K. Agarwal , Xiao Hu , Stavros Sintos , Jun Yang

A Gauss diagram is a simple, combinatorial way to present a link. It is known that any Vassiliev invariant may be obtained from a Gauss diagram formula that involves counting subdiagrams of certain combinatorial types. In this paper we…

Geometric Topology · Mathematics 2015-03-20 Michael Brandenbursky

Time-series data exists in every corner of real-world systems and services, ranging from satellites in the sky to wearable devices on human bodies. Learning representations by extracting and inferring valuable information from these time…

Machine Learning · Computer Science 2026-05-19 Patara Trirat , Yooju Shin , Junhyeok Kang , Youngeun Nam , Jihye Na , Minyoung Bae , Joeun Kim , Byunghyun Kim , Jae-Gil Lee

Graphs and hypergraphs combine expressive modeling power with algorithmic efficiency for a wide range of applications. Hedgegraphs generalize hypergraphs further by grouping hyperedges under a color/hedge. This allows hedgegraphs to model…

Data Structures and Algorithms · Computer Science 2025-10-30 Karthekeyan Chandrasekaran , Chandra Chekuri , Weihang Wang , Weihao Zhu

Coarse-grained (CG) modeling enables molecular simulations to reach time and length scales inaccessible to fully atomistic methods. For classical CG models, the choice of mapping, that is, how atoms are grouped into CG sites, is a major…

Chemical Physics · Physics 2025-12-10 Franz Görlich , Julija Zavadlav

Most Machine Learning (ML) methods, from clustering to classification, rely on a distance function to describe relationships between datapoints. For complex datasets it is hard to avoid making some arbitrary choices when defining a distance…

Machine Learning · Statistics 2016-07-04 Gina Gruenhage , Manfred Opper , Simon Barthelme