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Winfree's abstract Tile Assembly Model (aTAM) is a model of molecular self-assembly of DNA complexes known as tiles, which float freely in solution and attach one at a time to a growing "seed" assembly based on specific binding sites on…

Computational Complexity · Computer Science 2015-03-17 Ho-Lin Chen , David Doty , Shinnosuke Seki

In this paper we investigate the computational power of the polygonal tile assembly model (polygonal TAM) at temperature 1, i.e. in non-cooperative systems. The polygonal TAM is an extension of Winfree's abstract tile assembly model (aTAM)…

Computational Geometry · Computer Science 2015-08-20 Oscar Gilbert , Jacob Hendricks , Matthew J. Patitz , Trent A. Rogers

A topological defect network (TDN) is formed by a network of topological defects embedded within a topological quantum field theory (TQFT). TDNs were introduced recently for the purpose of describing fracton topological phases of matter…

Strongly Correlated Electrons · Physics 2023-01-18 Zijian Song , Arpit Dua , Wilbur Shirley , Dominic J. Williamson

A thermodynamically motivated neural network model is described that self-organizes to transport charge associated with internal and external potentials while in contact with a thermal reservoir. The model integrates techniques for rapid,…

Neurons and Cognition · Quantitative Biology 2020-04-22 Todd Hylton

Harnessing the intrinsic dynamics of physical systems for information processing opens new avenues for computation embodied in matter. Using simulations of a model system, we show that assemblies of DNA tiles capable of self-organizing into…

Soft Condensed Matter · Physics 2025-10-23 Tim E. Veenstra , René van Roij , Marjolein Dijkstra

We describe a computational model for studying the complexity of self-assembled structures with active molecular components. Our model captures notions of growth and movement ubiquitous in biological systems. The model is inspired by…

Data Structures and Algorithms · Computer Science 2013-01-15 Damien Woods , Ho-Lin Chen , Scott Goodfriend , Nadine Dabby , Erik Winfree , Peng Yin

The transition towards a circular economy has gained importance over the last years since the traditional linear take-make-dispose paradigm is not sustainable in the long term. Recently, thermodynamical material networks (TMNs) [1] have…

Dynamical Systems · Mathematics 2026-03-10 Federico Zocco

Learning with large-scale unlabeled data has become a powerful tool for pre-training Visual Transformers (VTs). However, prior works tend to overlook that, in real-world scenarios, the input data may be corrupted and unreliable.…

Computer Vision and Pattern Recognition · Computer Science 2023-04-13 Tianjiao Li , Lin Geng Foo , Ping Hu , Xindi Shang , Hossein Rahmani , Zehuan Yuan , Jun Liu

We prove the computational weakness of a model of tile assembly that has so far resisted many attempts of formal analysis or positive constructions. Specifically, we prove that, in Winfree's abstract Tile Assembly Model, when restricted to…

Computational Complexity · Computer Science 2015-07-31 Pierre-Étienne Meunier , Damien Regnault

Physics-constrained data-driven computing is an emerging computational paradigm that allows simulation of complex materials directly based on material database and bypass the classical constitutive model construction. However, it remains…

Numerical Analysis · Mathematics 2022-09-12 Xiaolong He , Qizhi He , Jiun-Shyan Chen

Evolving temporal networks serve as the abstractions of many real-life dynamic systems, e.g., social network and e-commerce. The purpose of temporal network embedding is to map each node to a time-evolving low-dimension vector for…

Social and Information Networks · Computer Science 2021-10-27 Ling Chen , Da Wang , Dandan Lyu , Xing Tang , Hongyu Shi

In contrast to most self-assembling synthetic materials, which undergo unbounded growth, many biological self-assembly processes are self-limited. That is, the assembled structures have one or more finite dimensions that are much larger…

Soft Condensed Matter · Physics 2022-05-25 Huang Fang , Botond Tyukodi , W. Benjamin Rogers , Michael F. Hagan

The field of complex self-assembly is moving toward the design of multi-particle structures consisting of thousands of distinct building blocks. To exploit the potential benefits of structures with such `addressable complexity,' we need to…

Soft Condensed Matter · Physics 2015-06-02 William M. Jacobs , Aleks Reinhardt , Daan Frenkel

Constitutive modeling lies at the core of mechanics, allowing us to map strains onto stresses for a material in a given mechanical setting. Historically, researchers relied on phenomenological modeling where simple mathematical…

Computational Engineering, Finance, and Science · Computer Science 2024-08-28 Asghar A. Jadoon , Knut A. Meyer , Jan N. Fuhg

Probabilistic models learned as density estimators can be exploited in representation learning beside being toolboxes used to answer inference queries only. However, how to extract useful representations highly depends on the particular…

Machine Learning · Computer Science 2016-08-12 Antonio Vergari , Nicola Di Mauro , Floriana Esposito

The restricted Boltzmann machine (RBM) is one of the fundamental building blocks of deep learning. RBM finds wide applications in dimensional reduction, feature extraction, and recommender systems via modeling the probability distributions…

Strongly Correlated Electrons · Physics 2018-02-07 Jing Chen , Song Cheng , Haidong Xie , Lei Wang , Tao Xiang

We show the first asymptotically efficient constructions in the so-called "noncooperative planar tile assembly" model. Algorithmic self-assembly is the study of the local, distributed, asynchronous algorithms ran by molecules to…

Computational Complexity · Computer Science 2021-07-19 Pierre-Etienne Meunier , Damien Regnault

Physics-informed neural network architectures have emerged as a powerful tool for developing flexible PDE solvers which easily assimilate data, but face challenges related to the PDE discretization underpinning them. By instead adapting a…

Numerical Analysis · Mathematics 2020-12-11 Ravi G. Patel , Indu Manickam , Nathaniel A. Trask , Mitchell A. Wood , Myoungkyu Lee , Ignacio Tomas , Eric C. Cyr

Simulations of knotting and unknotting in polymers or other filaments rely on random processes to facilitate topological changes. Here we introduce a method of \textit{topological steering} to determine the optimal pathway by which a…

Geometric Topology · Mathematics 2025-04-18 Agnese Barbensi , Alexander R. Klotz , Dimos Gkountaroulis

We propose excess Gibbs free energy graph neural networks (GE-GNNs) for predicting composition-dependent activity coefficients of binary mixtures. The GE-GNN architecture ensures thermodynamic consistency by predicting the molar excess…

Disordered Systems and Neural Networks · Physics 2024-11-05 Jan G. Rittig , Alexander Mitsos