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Generative models show great promise for the inverse design of molecules and inorganic crystals, but remain largely ineffective within more complex structures such as amorphous materials. Here, we present a diffusion model that reliably…

Disordered Systems and Neural Networks · Physics 2026-01-21 Kai Yang , Daniel Schwalbe-Koda

This paper offers a new perspective on Artificial Neural Networks (ANNs) architecture. Traditional ANNs commonly use tree-like or DAG structures for simplicity, which can be preset or determined by Neural Architecture Search (NAS). Yet,…

Machine Learning · Computer Science 2025-06-05 Xinshun Liu , Yizhi Fang , Yichao Jiang

We present a preliminary study of a new class of two-input cellular automata called eventually number-conserving cellular automata characterized by the property of evolving after a finite number of time steps to states whose number of…

Disordered Systems and Neural Networks · Physics 2007-05-23 Nino Boccara

Cellular automata (CA) are dynamical systems on symbolic configurations on the lattice. They are also used as models of massively parallel computers. As dynamical systems, one would like to understand the effect of small random…

Probability · Mathematics 2019-04-16 Irène Marcovici , Mathieu Sablik , Siamak Taati

This work explores conditional image generation with a new image density model based on the PixelCNN architecture. The model can be conditioned on any vector, including descriptive labels or tags, or latent embeddings created by other…

Computer Vision and Pattern Recognition · Computer Science 2016-06-21 Aaron van den Oord , Nal Kalchbrenner , Oriol Vinyals , Lasse Espeholt , Alex Graves , Koray Kavukcuoglu

Convolutional Neural Networks (CNNs) continue to achieve great success in classification tasks as innovative techniques and complex multi-path architecture topologies are introduced. Neural Architecture Search (NAS) aims to automate the…

Neural and Evolutionary Computing · Computer Science 2023-12-14 Trevor Londt , Xiaoying Gao , Peter Andreae , Yi Mei

The Dynamical Graph Grammar (DGG) formalism can describe complex system dynamics with graphs that are mapped into a master equation. An exact stochastic simulation algorithm may be used, but it is slow for large systems. To overcome this…

Quantitative Methods · Quantitative Biology 2024-07-16 Eric Medwedeff , Eric Mjolsness

The convolutional neural network (CNN), which is one of the deep learning models, has seen much success in a variety of computer vision tasks. However, designing CNN architectures still requires expert knowledge and a lot of trial and…

Neural and Evolutionary Computing · Computer Science 2017-08-14 Masanori Suganuma , Shinichi Shirakawa , Tomoharu Nagao

A Cellular Automata (CA) is a computing model of complex System using simple rule. In CA the problem space into number of cell and each cell can be one or several final state. Cells are affected by neighbours' to the simple rule. Cellular…

Cryptography and Security · Computer Science 2010-06-15 Debasis Das , Abhishek Ray

In most scenarios, conditional image generation can be thought of as an inversion of the image understanding process. Since generic image understanding involves solving multiple tasks, it is natural to aim at generating images via…

Computer Vision and Pattern Recognition · Computer Science 2022-07-15 Ritika Chakraborty , Nikola Popovic , Danda Pani Paudel , Thomas Probst , Luc Van Gool

A one-dimensional two-state number-conserving cellular automaton (NCCA) is a cellular automaton whose states are 0 or 1 and where cells take states 0 and 1 and updated their states by the rule which keeps overall sum of states constant. It…

Cellular Automata and Lattice Gases · Physics 2019-10-21 Gil-Tak Kong , Katsunobu Imai , Toru Nakanashi

Continuous-Time Dynamic Graph (CTDG) precisely models evolving real-world relationships, drawing heightened interest in dynamic graph learning across academia and industry. However, existing CTDG models encounter challenges stemming from…

Machine Learning · Computer Science 2024-07-23 Yuxing Tian , Yiyan Qi , Aiwen Jiang , Qi Huang , Jian Guo

Cellular automata (CAs) and convolutional neural networks (CNNs) are closely related due to the local nature of information processing. The connection between these topics is beneficial to both related fields, for conceptual as well as…

Cellular Automata and Lattice Gases · Physics 2024-09-05 Michiel Rollier , Aisling J. Daly , Odemir M. Bruno , Jan M. Baetens

In this work, we develop convolutional neural generative coding (Conv-NGC), a generalization of predictive coding to the case of convolution/deconvolution-based computation. Specifically, we concretely implement a flexible…

Computer Vision and Pattern Recognition · Computer Science 2023-02-07 Alexander Ororbia , Ankur Mali

Generative modeling of graphs with spatial structure is essential across many applications from computer graphics to spatial genomics. Recent flow-based generative models have achieved impressive results by gradually adding and then…

Machine Learning · Computer Science 2025-07-15 Peter Pao-Huang , Mitchell Black , Xiaojie Qiu

In recent years, trace generation has emerged as a significant challenge within the Process Mining community. Deep Learning (DL) models have demonstrated accuracy in reproducing the features of the selected processes. However, current DL…

Emergent processes in complex systems such as cellular automata can perform computations of increasing complexity, and could possibly lead to artificial evolution. Such a feat would require scaling up current simulation sizes to allow for…

Cellular Automata and Lattice Gases · Physics 2021-04-05 Hugo Cisneros , Josef Sivic , Tomas Mikolov

The discovery of new functional and stable materials is a big challenge due to its complexity. This work aims at the generation of new crystal structures with desired properties, such as chemical stability and specified chemical…

Computational Physics · Physics 2023-10-18 Arsen Sultanov , Jean-Claude Crivello , Tabea Rebafka , Nataliya Sokolovska

A mainstream type of the state of the arts (SOTAs) based on convolutional neural network (CNN) for real image denoising contains two sub-problems, i.e., noise estimation and non-blind denoising. This paper considers real noise approximated…

Image and Video Processing · Electrical Eng. & Systems 2022-11-29 Yifan Zuo , Jiacheng Xie , Yuming Fang , Yan Huang , Wenhui Jiang

Deep generative models have been applied with increasing success to the generation of two dimensional molecules as SMILES strings and molecular graphs. In this work we describe for the first time a deep generative model that can generate 3D…

Chemical Physics · Physics 2020-11-24 Tomohide Masuda , Matthew Ragoza , David Ryan Koes
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