Related papers: Neural network with optimal neuron activation func…

Recently, a Gaussian Process Regression - neural network (GPRNN) hybrid machine learning method was proposed, which is based on additive-kernel GPR in redundant coordinates constructed by rules [J. Phys. Chem. A 127 (2023) 7823]. The method…

Nuclear masses are machine-learned as a function of proton and neutron numbers. The neural network with additive Gaussian process regression-optimized activation functions (GPR-NN) method is employed for the first time for this purpose.…

We propose stochastic, non-parametric activation functions that are fully learnable and individual to each neuron. Complexity and the risk of overfitting are controlled by placing a Gaussian process prior over these functions. The result is…

Artificial neural network (ANN) potentials enable highly accurate atomistic simulations of complex materials at unprecedented scales. Despite their promise, training ANN potentials to represent intricate potential energy surfaces (PES) with…

The Gaussian-radial-basis function neural network (GRBFNN) has been a popular choice for interpolation and classification. However, it is computationally intensive when the dimension of the input vector is high. To address this issue, we…

Deep neural networks have revolutionized many fields, but their black-box nature also occasionally prevents their wider adoption in fields such as healthcare and finance, where interpretable and explainable models are required. The recent…

A neural network (NN) is a parameterised function that can be tuned via gradient descent to approximate a labelled collection of data with high precision. A Gaussian process (GP), on the other hand, is a probabilistic model that defines a…

Neural-net-induced Gaussian process (NNGP) regression inherits both the high expressivity of deep neural networks (deep NNs) as well as the uncertainty quantification property of Gaussian processes (GPs). We generalize the current NNGP to…

Gaussian process regression (GPR) is a fundamental model used in machine learning. Owing to its accurate prediction with uncertainty and versatility in handling various data structures via kernels, GPR has been successfully used in various…

Graph Neural Networks (graph NNs) are a promising deep learning approach for analyzing graph-structured data. However, it is known that they do not improve (or sometimes worsen) their predictive performance as we pile up many layers and add…

Active learning methods for neural networks are usually based on greedy criteria which ultimately give a single new design point for the evaluation. Such an approach requires either some heuristics to sample a batch of design points at one…

Gaussian Processes (GPs) provide a convenient framework for specifying function-space priors, making them a natural choice for modeling uncertainty. In contrast, Bayesian Neural Networks (BNNs) offer greater scalability and extendability…

Representations of multivariate functions with low-dimensional functions that depend on subsets of original coordinates (corresponding of different orders of coupling) are useful in quantum dynamics and other applications, especially where…

Neural Processes (NPs; Garnelo et al., 2018a,b) are a rich class of models for meta-learning that map data sets directly to predictive stochastic processes. We provide a rigorous analysis of the standard maximum-likelihood objective used to…

Deep feedforward neural networks (DFNNs) are a powerful tool for functional approximation. We describe flexible versions of generalized linear and generalized linear mixed models incorporating basis functions formed by a DFNN. The…

Whilst deep neural networks have shown great empirical success, there is still much work to be done to understand their theoretical properties. In this paper, we study the relationship between random, wide, fully connected, feedforward…

This paper presents an implementation of multilayer feed forward neural networks (NN) to optimize CMOS analog circuits. For modeling and design recently neural network computational modules have got acceptance as an unorthodox and useful…

Gaussian Process Regression (GPR) is an important type of supervised machine learning model with inherent uncertainty measure in its predictions. We propose a new framework, nuGPR, to address the well-known challenge of high computation…

This paper introduces an active learning framework for manifold Gaussian Process (GP) regression, combining manifold learning with strategic data selection to improve accuracy in high-dimensional spaces. Our method jointly optimizes a…

Graph neural networks (GNNs) are effective machine learning models for many graph-related applications. Despite their empirical success, many research efforts focus on the theoretical limitations of GNNs, i.e., the GNNs expressive power.…