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Quantum Monte Carlo (QMC) methods represent a powerful family of computational techniques for tackling complex quantum many-body problems and performing calculations of stationary state properties. QMC is among the most accurate and…
Collaborative Filtering (CF) is widely used in recommender systems to model user-item interactions. With the great success of Deep Neural Networks (DNNs) in various fields, advanced works recently have proposed several DNN-based models for…
We introduce a new family of trial wave-functions based on deep neural networks to solve the many-electron Schr\"odinger equation. The Pauli exclusion principle is dealt with explicitly to ensure that the trial wave-functions are physical.…
Deep learning has achieved remarkable success in learning representations for molecules, which is crucial for various biochemical applications, ranging from property prediction to drug design. However, training Deep Neural Networks (DNNs)…
In this work a novel, automated process for constructing and initializing deep feed-forward neural networks based on decision trees is presented. The proposed algorithm maps a collection of decision trees trained on the data into a…
We study in this paper how to initialize the parameters of multinomial logistic regression (a fully connected layer followed with softmax and cross entropy loss), which is widely used in deep neural network (DNN) models for classification…
With the edge computing becoming an increasingly adopted concept in system architectures, it is expected its utilization will be additionally heightened when combined with deep learning (DL) techniques. The idea behind integrating demanding…
The architecture of a neural network and the selection of its activation function are both fundamental to its performance. Equally vital is ensuring these two elements are well-matched, as their alignment is key to achieving effective…
Deep neural networks (DNNs) have recently achieved a great success in computer vision and several related fields. Despite such progress, current neural architectures still suffer from catastrophic interference (a.k.a. forgetting) which…
This paper is about a deep learning approach for linear and nonlinear filtering. The idea is to train a neural network with Monte Carlo samples generated from a nominal dynamic model. Then the network weights are applied to Monte Carlo…
In this paper, the authors propose the utilization of Fibonacci Neural Networks (FNN) for solving arbitrary order differential equations. The FNN architecture comprises input, middle, and output layers, with various degrees of Fibonacci…
Physics-informed deep learning have recently emerged as an effective tool for leveraging both observational data and available physical laws. Physics-informed neural networks (PINNs) and deep operator networks (DeepONets) are two such…
Optimal transmission switching (OTS) improves optimal power flow (OPF) by selectively opening transmission lines, but its mixed-integer formulation increases computational complexity, especially on large grids. To deal with this, we propose…
Background. Previous state-of-the-art systems on Drug Name Recognition (DNR) and Clinical Concept Extraction (CCE) have focused on a combination of text "feature engineering" and conventional machine learning algorithms such as conditional…
In this work we present a new framework for neural networks compression with fine-tuning, which we called Neural Network Compression Framework (NNCF). It leverages recent advances of various network compression methods and implements some…
Deep neural networks (DNNs) have become ubiquitous thanks to their remarkable ability to model complex patterns across various domains such as computer vision, speech recognition, robotics, etc. While large DNN models are often more…
Machine learning techniques often lack formal correctness guarantees, evidenced by the widespread adversarial examples that plague most deep-learning applications. This lack of formal guarantees resulted in several research efforts that aim…
Deep Learning (DL) has advanced various fields by extracting complex patterns from large datasets. However, the computational demands of DL models pose environmental and resource challenges. Deep shift neural networks (DSNNs) offer a…
Inferring parameters of macro-kinetic growth models, typically represented by Ordinary Differential Equations (ODE), from the experimental data is a crucial step in bioprocess engineering. Conventionally, estimates of the parameters are…
Reliable description of bond breaking remains a major challenge for quantum chemistry due to the multireferential character of the electronic structure in dissociating species. Multireferential methods in particular suffer from large…