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Synthetic polymers are versatile and widely used materials. Similar to small organic molecules, a large chemical space of such materials is hypothetically accessible. Computational property prediction and virtual screening can accelerate…

Machine Learning · Computer Science 2022-10-13 Matteo Aldeghi , Connor W. Coley

Polymers consisting of more than one type of monomer, known as copolymers, are vital to both living and synthetic systems. Copolymerisation has been studied theoretically in a number of contexts, often by considering a Markov process in…

In this paper, we derive nearly tight probabilistic norm bounds for a class of random matrices we call graph matrices. While the classical case of symmetric matrices with independent random entries (Wigner's matrices) is a special case, in…

Combinatorics · Mathematics 2021-04-30 Kwangjun Ahn , Dhruv Medarametla , Aaron Potechin

We consider the problem of learning the weighted edges of a balanced mixture of two undirected graphs from epidemic cascades. While mixture models are popular modeling tools, algorithmic development with rigorous guarantees has lagged.…

Social and Information Networks · Computer Science 2020-01-30 Jessica Hoffmann , Soumya Basu , Surbhi Goel , Constantine Caramanis

Desirable random graph models (RGMs) should (i) reproduce common patterns in real-world graphs (e.g., power-law degrees, small diameters, and high clustering), (ii) generate variable (i.e., not overly similar) graphs, and (iii) remain…

Machine Learning · Computer Science 2025-09-26 Fanchen Bu , Ruochen Yang , Paul Bogdan , Kijung Shin

We review some recent coarse-graining and multi-scale methods, but also put forward some new ideas for addressing such issues. We find that, if one is guided by nonequilibrium statistical mechanics and thermodynamics, it is possible to…

Soft Condensed Matter · Physics 2009-11-06 Patrick Ilg , Vlasis Mavrantzas , Hans Christian Öttinger

In this paper, we study random embeddings of polymer networks distributed according to any potential energy which can be expressed in terms of distances between pairs of monomers. This includes freely jointed chains, steric effects,…

Statistical Mechanics · Physics 2022-05-19 Jason Cantarella , Tetsuo Deguchi , Clayton Shonkwiler , Erica Uehara

A regularized version of Mixture Models is proposed to learn a principal graph from a distribution of $D$-dimensional data points. In the particular case of manifold learning for ridge detection, we assume that the underlying manifold can…

Machine Learning · Computer Science 2023-07-13 Tony Bonnaire , Aurélien Decelle , Nabila Aghanim

Nowhere dense classes of graphs are very general classes of uniformly sparse graphs with several seemingly unrelated characterisations. From an algorithmic perspective, a characterisation of these classes in terms of uniform quasi-wideness,…

Discrete Mathematics · Computer Science 2018-09-06 Stephan Kreutzer , Roman Rabinovich , Sebastian Siebertz

We study a stochastic model of a copolymerization process that has been extensively investigated in the physics literature. The main questions of interest include: (i) what are the criteria for transience, null recurrence, and positive…

Probability · Mathematics 2025-12-12 David F. Anderson , Jingyi Ma , Praful Gagrani

We study the problem of approximating the Ising model partition function with complex parameters on bounded degree graphs. We establish a deterministic polynomial-time approximation scheme for the partition function when the interactions…

Quantum Physics · Physics 2019-07-12 Ryan L. Mann , Michael J. Bremner

The Branched Polymer Growth Model (BPGM) has been employed to study the kinetic growth of ramified polymers in the presence of impurities. In this article, the BPGM is revisited on the square lattice and a subtle modification in its…

Statistical Mechanics · Physics 2009-11-10 Ubiraci P. C. Neves , Andre L. Botelho , Roberto N. Onody

We introduce a model for a growing random graph based on simultaneous reproduction of the vertices. The model can be thought of as a generalisation of the reproducing graphs of Southwell and Cannings and Bonato et al to allow for a random…

Probability · Mathematics 2011-04-20 Jonathan Jordan

In this work a new strategy is proposed in order to build analytic and microscopic models of fluctuating polymer rings subjected to topological constraints. The topological invariants used to fix these constraints belong to a wide class of…

Statistical Mechanics · Physics 2020-01-08 Franco Ferrari

A perturbative technique, the low-temperature expansion, is developed for matrix models of random surfaces. It can be applied to models with arbitrary target spaces, including ones with c>1. As a simple illustration, the series is worked…

High Energy Physics - Theory · Physics 2007-05-23 Mark Wexler

Density level sets can be estimated using plug-in methods, excess mass algorithms or a hybrid of the two previous methodologies. The plug-in algorithms are based on replacing the unknown density by some nonparametric estimator, usually the…

Statistics Theory · Mathematics 2016-11-26 A. Rodríguez-Casal , P. Saavedra-Nieves

Generalized Additive Models (GAMs) can be used to create non-linear glass-box (i.e. explicitly interpretable) models, where the predictive function is fully observable over the complete input space. However, glass-box interpretability…

Machine Learning · Computer Science 2026-04-22 Nicolas Salvadé , Tim Hillel

Approximating the partition function of the ferromagnetic Ising model with general external fields is known to be #BIS-hard in the worst case, even for bounded-degree graphs, and it is widely believed that no polynomial-time approximation…

Data Structures and Algorithms · Computer Science 2021-08-27 Tyler Helmuth , Holden Lee , Will Perkins , Mohan Ravichandran , Qiang Wu

Previous work has suggested that the structural restrictions of graphs from classes of bounded expansion--locally dense pockets in a globally sparse graph--naturally coincide with common properties of real-world networks such as clustering…

Data Structures and Algorithms · Computer Science 2018-04-24 Michael P. O'Brien , Blair D. Sullivan

Many research fields, reaching from social networks and epidemiology to biology and physics, have experienced great advance from recent developments in random graphs and network theory. In this paper we propose to view percolation on a…

Soft Condensed Matter · Physics 2019-08-21 Verena Schamboeck , Piet D. Iedema , Ivan Kryven