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Most chemical processes, such as distillation, absorption, extraction, and catalytic reactions, are extremely complex processes that are affected by multiple factors. The relationships between their input variables and output variables are…

Artificial Neural Networks (ANN) have been popularized in many science and technological areas due to their capacity to solve many complex pattern matching problems. That is the case of Virtual Screening, a research area that studies how to…

Atomic neural networks (ANNs) constitute a class of machine learning methods for predicting potential energy surfaces and physico-chemical properties of molecules and materials. Despite many successes, developing interpretable ANN…

This paper shows that a new type of artificial neural network (ANN) -- the Simultaneous Recurrent Network (SRN) -- can, if properly trained, solve a difficult function approximation problem which conventional ANNs -- either feedforward or…

Heterogeneous information networks (HINs) can be used to model various real-world systems. As HINs consist of multiple types of nodes, edges, and node features, it is nontrivial to directly apply graph neural network (GNN) techniques in…

Molecular property prediction (e.g., energy) is an essential problem in chemistry and biology. Unfortunately, many supervised learning methods usually suffer from the problem of scarce labeled molecules in the chemical space, where such…

Artificial Neural Networks (ANNs) are one of the most widely employed forms of bio-inspired computation. However the current trend is for ANNs to be structurally homogeneous. Furthermore, this structural homogeneity requires the application…

While machine learning techniques have been successfully applied in several fields, the black-box nature of the models presents challenges for interpreting and explaining the results. We develop a new framework called Adaptive Explainable…

Recent advances in machine-learning interatomic potentials have enabled the efficient modeling of complex atomistic systems with an accuracy that is comparable to that of conventional quantum mechanics based methods. At the same time, the…

Artificial neural networks (ANNs) are essential tools in machine learning that have drawn increasing attention in neuroscience. Besides offering powerful techniques for data analysis, ANNs provide a new approach for neuroscientists to build…

Deep neural networks (DNNs) have found applications in diverse signal processing (SP) problems. Most efforts either directly adopt the DNN as a black-box approach to perform certain SP tasks without taking into account of any known…

Existing adaptive bias techniques, which seek to estimate free energies and physical properties from molecular simulations, are limited by their reliance on fixed kernels or basis sets which hinder their ability to efficiently conform to…

Artificial neural networks (ANNs) have been broadly utilized to analyze various data and solve different domain problems. However, neural networks (NNs) have been considered a black box operation for years because their underlying…

Hypergraphs serve as an effective model for depicting complex connections in various real-world scenarios, from social to biological networks. The development of Hypergraph Neural Networks (HGNNs) has emerged as a valuable method to manage…

Primary motivation for this work was the need to implement hardware accelerators for a newly proposed ANN structure called Auto Resonance Network (ARN) for robotic motion planning. ARN is an approximating feed-forward hierarchical and…

Artificial neural network (ANN) is a supervised learning algorithm, where parameters are learned by several back-and-forth iterations of passing the inputs through the network, comparing the output with the expected labels, and correcting…

Heterogeneous network embedding (HNE) is a challenging task due to the diverse node types and/or diverse relationships between nodes. Existing HNE methods are typically unsupervised. To maximize the profit of utilizing the rare and valuable…

Random Neural Networks (RNNs) are a class of Neural Networks (NNs) that can also be seen as a specific type of queuing network. They have been successfully used in several domains during the last 25 years, as queuing networks to analyze the…

Evolutionary artificial neural networks (EANNs) refer to a special class of artificial neural networks (ANNs) in which evolution is another fundamental form of adaptation in addition to learning. Evolutionary algorithms are used to adapt…

In the present article, we propose a paradigm shift on evolving Artificial Neural Networks (ANNs) towards a new bio-inspired design that is grounded on the structural properties, interactions, and dynamics of protein networks (PNs): the…