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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…
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,…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…