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Deep learning continues to play as a powerful state-of-art technique that has achieved extraordinary accuracy levels in various domains of regression and classification tasks, including images, video, signal, and natural language data. The…

Neural and Evolutionary Computing · Computer Science 2022-06-03 Anna Zou , Zhiyuan Li

We have designed a machine that becomes increasingly better at behaving in underspecified circumstances, in a goal-directed way, on the job, by modeling itself and its environment as experience accumulates. Based on principles of…

This work addresses the inverse identification of apparent elastic properties of random heterogeneous materials using machine learning based on artificial neural networks. The proposed neural network-based identification method requires the…

Machine Learning · Computer Science 2021-02-12 Florent Pled , Christophe Desceliers , Tianyu Zhang

Coupled learning is a contrastive scheme for tuning the properties of individual elements within a network in order to achieve desired functionality of the system. It takes advantage of physics both to learn using local rules and to…

Soft Condensed Matter · Physics 2024-07-09 Lauren E. Altman , Menachem Stern , Andrea J. Liu , Douglas J. Durian

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

The ability to explain decisions made by AI systems is highly sought after, especially in domains where human lives are at stake such as medicine or autonomous vehicles. While it is often possible to approximate the input-output relations…

Artificial Intelligence · Computer Science 2020-10-15 Daniel C. Elton

We develop an approach to efficiently grow neural networks, within which parameterization and optimization strategies are designed by considering their effects on the training dynamics. Unlike existing growing methods, which follow simple…

Machine Learning · Computer Science 2023-06-23 Xin Yuan , Pedro Savarese , Michael Maire

Intelligence can be defined as a predominantly human ability to accomplish tasks that are generally hard for computers and animals. Artificial Intelligence [AI] is a field attempting to accomplish such tasks with computers. AI is becoming…

Artificial Intelligence · Computer Science 2019-05-03 George Cevora

Reactive synthesis is a technology for the automatic construction of reactive systems from logical specifications. In these lecture notes, we study different algorithms for the reactive synthesis problem of linear-time temporal logic (LTL).…

Logic in Computer Science · Computer Science 2018-03-28 Bernd Finkbeiner , Felix Klein

Discovery of atomistic systems with desirable properties is a major challenge in chemistry and material science. Here we introduce a novel, autoregressive, convolutional deep neural network architecture that generates molecular equilibrium…

Machine Learning · Statistics 2018-10-29 Niklas W. A. Gebauer , Michael Gastegger , Kristof T. Schütt

Inspired by biology's most sophisticated computer, the brain, neural networks constitute a profound reformulation of computational principles. Remarkably, analogous high-dimensional, highly-interconnected computational architectures also…

Disordered Systems and Neural Networks · Physics 2024-01-23 Constantine Glen Evans , Jackson O'Brien , Erik Winfree , Arvind Murugan

The goal of the paper is to automatize the selection of mechanisms which are able to describe a set of measurements. In order to do so first we construct a set of possible mechanism fulfilling chemically reasonable requirements with a given…

Numerical Analysis · Mathematics 2019-04-03 Tibor Nagy , János Tóth , Tamás Ladics

Identification of different neuronal cell types is critical for understanding their contribution to brain functions. Yet, automated and reliable classification of neurons remains a challenge, primarily because of their biological…

Neural and Evolutionary Computing · Computer Science 2020-09-29 Eirini Troullinou , Grigorios Tsagkatakis , Spyridon Chavlis , Gergely Turi , Wen-Ke Li , Attila Losonczy , Panagiotis Tsakalides , Panayiota Poirazi

Analogy is core to human cognition. It allows us to solve problems based on prior experience, it governs the way we conceptualize new information, and it even influences our visual perception. The importance of analogy to humans has made it…

Artificial Intelligence · Computer Science 2020-12-16 Maxwell Crouse , Constantine Nakos , Ibrahim Abdelaziz , Kenneth Forbus

Information processing relying on biochemical interactions in the cellular environment is essential for biological organisms. The implementation of molecular computational systems holds significant interest and potential in the fields of…

Dynamical Systems · Mathematics 2023-12-01 Yuzhen Fan , Xiaoyu Zhang , Chuanhou Gao , Denis Dochain

Can reproduction alone in the context of survival produce intelligence in our machines? In this work, self-replication is explored as a mechanism for the emergence of intelligent behavior in modern learning environments. By focusing purely…

Neural and Evolutionary Computing · Computer Science 2022-09-27 Samuel Schmidgall , Joseph Hays

Reaction prediction remains one of the major challenges for organic chemistry, and is a pre-requisite for efficient synthetic planning. It is desirable to develop algorithms that, like humans, "learn" from being exposed to examples of the…

Chemical Physics · Physics 2017-06-01 Jennifer N. Wei , David Duvenaud , Alán Aspuru-Guzik

Information flow provides a natural measure for the causal interaction between dynamical events. This study extends our previous rigorous formalism of componentwise information flow to the bulk information flow between two complex…

Neurons and Cognition · Quantitative Biology 2021-12-30 X. San Liang

In machine learning, the use of an artificial neural network is the mainstream approach. Such a network consists of layers of neurons. These neurons are of the same type characterized by the two features: (1) an inner product of an input…

Neural and Evolutionary Computing · Computer Science 2017-04-28 Fenglei Fan , Wenxiang Cong , Ge Wang

Artificial Neural Networks are powerful function approximators capable of modelling solutions to a wide variety of problems, both supervised and unsupervised. As their size and expressivity increases, so too does the variance of the model,…

Neural and Evolutionary Computing · Computer Science 2018-01-26 Richard Evans , Edward Grefenstette
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