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Graph Neural Networks (GNNs) play a pivotal role in graph-based tasks for their proficiency in representation learning. Among the various GNN methods, spectral GNNs employing polynomial filters have shown promising performance on tasks…

Machine Learning · Computer Science 2025-01-09 Haipeng Ding , Zhewei Wei , Yuhang Ye

Multiscale molecular modeling is widely applied in scientific research of molecular properties over large time and length scales. Two specific challenges are commonly present in multiscale modeling, provided that information between the…

Computational Physics · Physics 2024-07-23 Jun Zhang , Xiaohan Lin , Weinan E , Yi Qin Gao

We consider spectral methods that uncover hidden structures in directed networks. We establish and exploit connections between node reordering via (a) minimizing an objective function and (b) maximizing the likelihood of a random graph…

Social and Information Networks · Computer Science 2021-10-12 Xue Gong , Desmond John Higham , Konstantinos Zygalakis

Far from equilibrium, neural systems self-organize across multiple scales. Exploiting multiscale self-organization in neuroscience and artificial intelligence requires a computational framework for modeling the effective non-equilibrium…

Neurons and Cognition · Quantitative Biology 2025-10-09 Nathan X. Kodama

Self-similarity, where observables at different length scales exhibit similar behavior, is ubiquitous in natural systems. Such systems are typically characterized by power-law correlations and universality, and are studied using the…

Disordered Systems and Neural Networks · Physics 2026-01-05 Gorka Peraza Coppola , Moritz Helias , Zohar Ringel

Deep neural network architectures often consist of repetitive structural elements. We introduce an approach that reveals these patterns and can be broadly applied to the study of deep learning. Similarly to how a power strip helps untangle…

Statistical Mechanics · Physics 2025-07-03 Donghee Lee , Hye-Sung Lee , Jaeok Yi

The key idea behind the renormalization group (RG) transformation is that properties of physical systems with very different microscopic makeups can be characterized by a few universal parameters. However, finding the optimal RG…

Disordered Systems and Neural Networks · Physics 2021-06-30 Jui-Hui Chung , Ying-Jer Kao

Coarse-graining is a powerful tool for extending the reach of dynamic models of proteins and other biological macromolecules. Topological coarse-graining, in which biomolecules or sets thereof are represented via graph structures, is a…

Biomolecules · Quantitative Biology 2021-09-15 Vy Duong , Elizabeth Diessner , Gianmarc Grazioli , Rachel W. Martin , Carter T. Butts

We utilize connections between molecular coarse-graining approaches and implicit generative models in machine learning to describe a new framework for systematic molecular coarse-graining (CG). Focus is placed on the formalism encompassing…

Chemical Physics · Physics 2020-09-11 Aleksander E. P. Durumeric , Gregory A. Voth

In this paper we derive a compact mathematical formulation describing the dynamics of chemical reaction networks that are complex-balanced and are governed by mass action kinetics. The formulation is based on the graph of (substrate and…

Dynamical Systems · Mathematics 2012-12-12 Shodhan Rao , Arjan van der Schaft , Bayu Jayawardhana

The renormalization group (RG) is a class of theoretical techniques used to explain the collective physics of interacting, many-body systems. It has been suggested that the RG formalism may be useful in finding and interpreting emergent…

Statistical Mechanics · Physics 2022-03-23 Adam G. Kline , Stephanie E. Palmer

We introduce a coarse-graining transformation for tensor networks that can be applied to study both the partition function of a classical statistical system and the Euclidean path integral of a quantum many-body system. The scheme is based…

Strongly Correlated Electrons · Physics 2015-11-04 Glen Evenbly , Guifre Vidal

We propose an efficient and robust iterative solution to the multi-object matching problem. We first clarify serious limitations of current methods as well as the inappropriateness of the standard iteratively reweighted least squares…

Computer Vision and Pattern Recognition · Computer Science 2021-10-11 Yunpeng Shi , Shaohan Li , Gilad Lerman

The era of data deluge has sparked the interest in graph-based learning methods in a number of disciplines such as sociology, biology, neuroscience, or engineering. In this paper, we introduce a graph recurrent neural network (GRNN) for…

Machine Learning · Computer Science 2019-02-19 Vassilis N. Ioannidis , Antonio G. Marques , Georgios B. Giannakis

We introduce a hybrid approach to applying the density matrix renormalization group (DMRG) to continuous systems, combining a grid approximation along one direction with a finite Gaussian basis set along the remaining two directions. This…

Chemical Physics · Physics 2017-08-02 E. Miles Stoudenmire , Steven R. White

I show how a renormalization group (RG) method can be used to incrementally integrate the information in cosmological large-scale structure data sets (including CMB, galaxy redshift surveys, etc.). I show numerical tests for Gaussian…

Cosmology and Nongalactic Astrophysics · Physics 2019-03-06 Patrick McDonald

Network topology is a flourishing interdisciplinary subject that is relevant for different disciplines including quantum gravity and brain research. The discrete topological objects that are investigated in network topology are simplicial…

Disordered Systems and Neural Networks · Physics 2020-07-15 Marcus Reitz , Ginestra Bianconi

We present a renormalization-grouplike method performed in the state space for detecting the dynamical behaviors of large scale-free Boolean networks, especially for the chaotic regime as well as the edge of chaos. Numerical simulations…

Disordered Systems and Neural Networks · Physics 2007-05-23 Wen-Xu Wang , Gang Yan , Jie Ren , Bing-Hong Wang

Renormalization group (RG) methods are emerging as tools in biology and computer science to support the search for simplifying structure in distributions over high-dimensional spaces. We show that mixture models can be thought of as having…

Statistical Mechanics · Physics 2024-02-09 Adam G. Kline , Stephanie E. Palmer

We present a recently introduced real space renormalization group (RG) approach to the study of surface growth. The method permits us to obtain the properties of the KPZ strong coupling fixed point, which is not accessible to standard…

Condensed Matter · Physics 2016-08-17 M. A. Muñoz , G. Bianconi , C. Castellano , A. Gabrielli , M. Marsili , L. Pietronero