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Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…
The growing penetration of distributed energy resources (DERs), electric vehicles (EVs), and heat pumps (HPs) in distribution networks underscores the need for secure, computationally efficient optimal power flow (OPF) solutions.…
This paper initiates the study of quantum computing within the constraints of using a polylogarithmic ($O(\log^k n), k\geq 1$) number of qubits and a polylogarithmic number of computation steps. The current research in the literature has…
Optimal Power Flow (OPF) is a fundamental problem in power systems. It is computationally challenging and a recent line of research has proposed the use of Deep Neural Networks (DNNs) to find OPF approximations at vastly reduced runtimes…
This PhD thesis combines two of the most exciting research areas of the last decades: quantum computing and machine learning. We introduce dissipative quantum neural networks (DQNNs), which are designed for fully quantum learning tasks, are…
In this paper, we leverage a recent deep kernel representer theorem to connect kernel based learning and (deep) neural networks in order to understand their interplay. In particular, we show that the use of special types of kernels yields…
We propose a computational framework for replacing the repeated numerical solution of differential Riccati equations in finite-horizon Linear Quadratic Regulator (LQR) problems by a learned operator surrogate. Instead of solving a nonlinear…
Deep neural networks (DNNs) have been quite successful in solving many complex learning problems. However, DNNs tend to have a large number of learning parameters, leading to a large memory and computation requirement. In this paper, we…
Quantum computing holds great potential for advancing the limitations of machine learning algorithms to handle higher dimensions of data and reduce overall training parameters in deep learning (DL) models. This study uses a trainable…
Linearized shallow neural networks that are constructed by fixing the hidden-layer parameters have recently shown strong performance in solving partial differential equations (PDEs). Such models, widely used in the random feature method…
Kohn-Sham Density Functional Theory (KS-DFT) provides the exact ground state energy and electron density of a molecule, contingent on the as-yet-unknown universal exchange-correlation (XC) functional. Recent research has demonstrated that…
Deep neural networks (DNNs) are quantized for efficient inference on resource-constrained platforms. However, training deep learning models with low-precision weights and activations involves a demanding optimization task, which calls for…
The steady incompressible Navier--Stokes equations pose significant computational challenges due to their nonlinear convective terms and pressure--velocity coupling. Physics-informed neural networks (PINNs) provide a mesh-free framework for…
This paper introduces a tensor neural network (TNN) to address nonparametric regression problems, leveraging its distinct sub-network structure to effectively facilitate variable separation and enhance the approximation of complex,…
This paper explores the integration of Diophantine equations into neural network (NN) architectures to improve model interpretability, stability, and efficiency. By encoding and decoding neural network parameters as integer solutions to…
Deep neural network (DNN) generally takes thousands of iterations to optimize via gradient descent and thus has a slow convergence. In addition, softmax, as a decision layer, may ignore the distribution information of the data during…
Q-learning methods represent a commonly used class of algorithms in reinforcement learning: they are generally efficient and simple, and can be combined readily with function approximators for deep reinforcement learning (RL). However, the…
Deep reinforcement learning has led to numerous notable results in robotics. However, deep neural networks (DNNs) are unintuitive, which makes it difficult to understand their predictions and strongly limits their potential for real-world…
We introduce a new class of non-linear models for functional data based on neural networks. Deep learning has been very successful in non-linear modeling, but there has been little work done in the functional data setting. We propose two…
Deep learning (DL) is transforming industry as decision-making processes are being automated by deep neural networks (DNNs) trained on real-world data. Driven partly by rapidly-expanding literature on DNN approximation theory showing they…