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In this article we introduce theory and algorithms for learning discrete representations that take on a lattice that is embedded in an Euclidean space. Lattice representations possess an interesting combination of properties: a) they can be…

Machine Learning · Computer Science 2020-06-25 Luis A. Lastras

This paper deals with shape irregularity issues in discrete topology optimization algorithms whereby the design is created using the automated distribution of material in the design region. Graph theory is employed to derive appropriate…

Information Theory · Computer Science 2025-03-14 Vojtech Neuman , Miloslav Capek , Lukas Jelinek

Many real-world systems, such as moving planets, can be considered as multi-agent dynamic systems, where objects interact with each other and co-evolve along with the time. Such dynamics is usually difficult to capture, and understanding…

Machine Learning · Computer Science 2020-11-10 Zijie Huang , Yizhou Sun , Wei Wang

Development of next-generation electronic devices for applications call for the discovery of quantum materials hosting novel electronic, magnetic, and topological properties. Traditional electronic structure methods require expensive…

Computational Physics · Physics 2020-05-28 Hexin Bai , Peng Chu , Jeng-Yuan Tsai , Nathan Wilson , Xiaofeng Qian , Qimin Yan , Haibin Ling

Surrogate models have several uses in engineering design, including speeding up design optimization, noise reduction, test measurement interpolation, gradient estimation, portability, and protection of intellectual property. Traditionally,…

Computational Engineering, Finance, and Science · Computer Science 2021-09-08 Eamon Whalen , Caitlin Mueller

This paper puts forward an integrated microstructure design methodology that replaces the common existing design approaches: 1) reconstruction of microstructures, 2) analyzing and quantifying material properties, and 3) inverse design of…

Materials Science · Physics 2023-07-18 Kang-Hyun Lee , Hyoung Jun Lim , Gun Jin Yun

Replicating and surpassing the autonomy of natural organisms remains a long-standing goal in robotics. Yet most robotic systems have their structure, materials, and control designed separately, in sharp contrast to the co-evolution in…

Robotics · Computer Science 2026-05-14 Qinsong Guo , Liwei Wang

Differential graphical models are designed to represent the difference between the conditional dependence structures of two groups, thus are of particular interest for scientific investigation. Motivated by modern applications, this…

Statistics Theory · Mathematics 2021-02-03 Sen Na , Mladen Kolar , Oluwasanmi Koyejo

Graph Transformers (GTs) have emerged as powerful architectures for graph-structured data, yet remain constrained by rigid designs and lack quantifiable interpretability. Current state-of-the-art GTs commit to fixed GNN types across all…

Machine Learning · Computer Science 2025-11-03 Shruti Sarika Chakraborty , Peter Minary

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and…

Materials Science · Physics 2024-06-17 Izumi Takahara , Kiyou Shibata , Teruyasu Mizoguchi

A so-called artificial graphene is an artificial material whose low-energy carriers are described by the massless Dirac equation. Applying a periodic potential with triangular symmetry to a two-dimensional electron gas is one way to make…

Mesoscale and Nanoscale Physics · Physics 2016-02-18 Pilkwang Kim , Cheol-Hwan Park

Inferring the graph structure from observed data is a key task in graph machine learning to capture the intrinsic relationship between data entities. While significant advancements have been made in learning the structure of homogeneous…

Machine Learning · Computer Science 2025-03-13 Keyue Jiang , Bohan Tang , Xiaowen Dong , Laura Toni

Spatial prediction refers to the estimation of unobserved values from spatially distributed observations. Although recent advances have improved the capacity to model diverse observation types, adoption in practice remains limited in…

Machine Learning · Statistics 2025-10-10 Yuta Shikuri , Hironori Fujisawa

Understanding the dynamical processes that govern the performance of functional materials is essential for the design of next generation materials to tackle global energy and environmental challenges. Many of these processes involve the…

Materials Science · Physics 2019-07-11 Tian Xie , Arthur France-Lanord , Yanming Wang , Yang Shao-Horn , Jeffrey C. Grossman

Metamaterials, synthetic materials with customized properties, have emerged as a promising field due to advancements in additive manufacturing. These materials derive unique mechanical properties from their internal lattice structures,…

Artificial Intelligence · Computer Science 2024-10-01 Jaewan Park , Shashank Kushwaha , Junyan He , Seid Koric , Qibang Liu , Iwona Jasiuk , Diab Abueidda

In sparse signal representation, the choice of a dictionary often involves a tradeoff between two desirable properties -- the ability to adapt to specific signal data and a fast implementation of the dictionary. To sparsely represent…

Machine Learning · Computer Science 2015-06-18 Dorina Thanou , David I Shuman , Pascal Frossard

Design of filters for graph signal processing benefits from knowledge of the spectral decomposition of matrices that encode graphs, such as the adjacency matrix and the Laplacian matrix, used to define the shift operator. For shift matrices…

Numerical Analysis · Computer Science 2017-01-10 Stephen Kruzick , José M. F. Moura

The motive of this work is to understand the complex spatial characteristics of finite-amplitude elastic wave propagation in periodic structures and leverage the unique opportunities offered by nonlinearity to activate complementary…

Pattern Formation and Solitons · Physics 2017-06-27 R. Ganesh , Stefano Gonella

Structure aware graph generation aims to generate graphs that satisfy given topological properties. It has applications in domains such as drug discovery, social network modeling, and knowledge graph construction. Unlike existing methods…

Artificial Intelligence · Computer Science 2026-05-05 Nidhi Vakil , Hadi Amiri

We propose representation of configurational physical quantities and microscopic structures for multicomponent system on lattice, by extending a concept of generalized Ising model (GIM) to graph theory. We construct graph Laplacian (and…

Disordered Systems and Neural Networks · Physics 2018-03-12 Koretaka Yuge