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We show that unsupervised machine learning can be used to learn physical and chemical transformation pathways from the observational microscopic data, as demonstrated for atomically resolved images in Scanning Transmission Electron…

Density estimation, compression and data generation are crucial tasks in artificial intelligence. Variational Auto-Encoders (VAEs) constitute a single framework to achieve these goals. Here, we present a novel class of generative models,…

Machine Learning · Statistics 2021-07-07 Ioannis Gatopoulos , Jakub M. Tomczak

We show that neural networks trained by evolutionary reinforcement learning can enact efficient molecular self-assembly protocols. Presented with molecular simulation trajectories, networks learn to change temperature and chemical potential…

Statistical Mechanics · Physics 2020-06-01 Stephen Whitelam , Isaac Tamblyn

Graphical models are powerful tools for modeling high-dimensional data, but learning graphical models in the presence of latent variables is well-known to be difficult. In this work we give new results for learning Restricted Boltzmann…

Machine Learning · Computer Science 2020-07-28 Surbhi Goel , Adam Klivans , Frederic Koehler

We propose a self-supervised approach for learning physics-based subspaces for real-time simulation. Existing learning-based methods construct subspaces by approximating pre-defined simulation data in a purely geometric way. However, this…

Machine Learning · Computer Science 2024-04-30 Jiahong Wang , Yinwei Du , Stelian Coros , Bernhard Thomaszewski

To fully understand, analyze, and determine the behavior of dynamical systems, it is crucial to identify their intrinsic modal coordinates. In nonlinear dynamical systems, this task is challenging as the modal transformation based on the…

Machine Learning · Computer Science 2025-03-13 Abdolvahhab Rostamijavanani , Shanwu Li , Yongchao Yang

Can we quantify the change of complexity throughout evolutionary processes? We attempt to address this question through an empirical approach. In very general terms, we simulate two simple organisms on a computer that compete over limited…

Neural and Evolutionary Computing · Computer Science 2016-01-05 Alyssa Adams , Hector Zenil , Eduardo Hermo Reyes , Joost Joosten

A method to control results of gradient descent unsupervised learning in a deep neural network by using evolutionary algorithm is proposed. To process crossover of unsupervisedly trained models, the algorithm evaluates pointwise fitness of…

Machine Learning · Statistics 2018-03-29 Takeshi Inagaki

The density classification (DC) task, a computation which maps global density information to local density, is studied using one-dimensional non-unitary quantum cellular automata (QCAs). Two approaches are considered: one that preserves the…

Quantum Physics · Physics 2025-01-22 Elisabeth Wagner , Federico Dell'Anna , Ramil Nigmatullin , Gavin K. Brennen

This paper studies three classes of cellular automata from a computational point of view: freezing cellular automata where the state of a cell can only decrease according to some order on states, cellular automata where each cell only makes…

Discrete Mathematics · Computer Science 2022-01-27 Nicolas Ollinger , Guillaume Theyssier

A robotic swarm that is required to operate for long periods in a potentially unknown environment can use both evolution and individual learning methods in order to adapt. However, the role played by the environment in influencing the…

Neural and Evolutionary Computing · Computer Science 2018-04-23 Andreas Steyven , Emma Hart , Ben Paechter

We propose a novel density based numerical method for uncertainty propagation under certain partial differential equation dynamics. The main idea is to translate them into objects that we call cellular probabilistic automata and to evolve…

Numerical Analysis · Mathematics 2013-02-06 Dominic Kohler , Johannes Müller , Utz Wever

This paper introduces a learning framework for Three-Directional Associative Memory (TAM) models, extending the classical Hebbian paradigm to both supervised and unsupervised protocols within an hetero-associative setting. These neural…

Disordered Systems and Neural Networks · Physics 2025-11-25 Andrea Alessandrelli , Adriano Barra , Andrea Ladiana , Andrea Lepre , Federico Ricci-Tersenghi

Cellular automata (CA), originally developed as computational models of natural processes, have become a central subject in the study of complex systems and generative visual forms. Among them, the Ulam-Warburton Cellular Automaton (UWCA)…

Cellular Automata and Lattice Gases · Physics 2026-01-28 Chung-En Hao , Ivan C. H. Liu

The vast complexity is a daunting property of generic quantum states that poses a significant challenge for theoretical treatment, especially in non-equilibrium setups. Therefore, it is vital to recognize states which are locally less…

Quantum Physics · Physics 2022-07-28 Markus Schmitt , Zala Lenarčič

We introduce a new neural architecture and an unsupervised algorithm for learning invariant representations from temporal sequence of images. The system uses two groups of complex cells whose outputs are combined multiplicatively: one that…

Neural and Evolutionary Computing · Computer Science 2010-06-03 Karo Gregor , Yann LeCun

We propose a theoretical framework to analyze semi-supervised classification under the low density separation assumption in a high-dimensional regime. In particular, we introduce QLDS, a linear classification model, where the low density…

Machine Learning · Computer Science 2023-10-23 Vasilii Feofanov , Malik Tiomoko , Aladin Virmaux

Temporal anomaly detection looks for irregularities over space-time. Unsupervised temporal models employed thus far typically work on sequences of feature vectors, and much less on temporal multiway data. We focus our investigation on…

Machine Learning · Computer Science 2020-09-22 Duc Nguyen , Phuoc Nguyen , Kien Do , Santu Rana , Sunil Gupta , Truyen Tran

We develop a learning-based algorithm for the control of autonomous systems governed by unknown, nonlinear dynamics to satisfy user-specified spatio-temporal tasks expressed as signal temporal logic specifications. Most existing algorithms…

Robotics · Computer Science 2021-10-12 Christos K. Verginis , Zhe Xu , Ufuk Topcu

In recent years, deep discriminative models have achieved extraordinary performance on supervised learning tasks, significantly outperforming their generative counterparts. However, their success relies on the presence of a large amount of…

Computer Vision and Pattern Recognition · Computer Science 2017-09-05 Gaurav Pandey , Ambedkar Dukkipati