Related papers: Reduced Density Matrices Through Machine Learning

We investigate the impact of choosing regressors and molecular representations for the construction of fast machine learning (ML) models of thirteen electronic ground-state properties of organic molecules. The performance of each…

Recurrent neural networks (RNNs) have recently achieved remarkable successes in a number of applications. However, the huge sizes and computational burden of these models make it difficult for their deployment on edge devices. A practically…

Magnetoresistive random access memory (MRAM) technologies with thermally unstable nanomagnets are leveraged to develop an intrinsic stochastic neuron as a building block for restricted Boltzmann machines (RBMs) to form deep belief networks…

We introduce a data-driven framework for approximating the convex set of $N$-representable two-electron reduced density matrices (2-RDMs). Traditional approaches characterize this set through linear matrix inequalities that define its…

Recurrent neural networks (RNNs) have achieved state-of-the-art performances in many natural language processing tasks, such as language modeling and machine translation. However, when the vocabulary is large, the RNN model will become very…

Recurrent neural networks (RNNs), including long short-term memory (LSTM) RNNs, have produced state-of-the-art results on a variety of speech recognition tasks. However, these models are often too large in size for deployment on mobile…

In this work, we investigate the feasibility and effectiveness of employing deep learning algorithms for automatic recognition of the modulation type of received wireless communication signals from subsampled data. Recent work considered a…

There has been much recent interest in designing neural networks (NNs) with relaxed equivariance, which interpolate between exact equivariance and full flexibility for consistent performance gains. In a separate line of work, structured…

Neural networks with randomly generated hidden weights (RaNNs) have been extensively studied, both as a standalone learning method and as an initialization for fully trainable deep learning methods. In this work, we study RaNN expressivity…

The training phases of Deep neural network~(DNN) consumes enormous processing time and energy. Compression techniques utilizing the sparsity of DNNs can effectively accelerate the inference phase of DNNs. However, it is hardly used in the…

The use of deep neural network (DNN) models as surrogates for linear and nonlinear structural dynamical systems is explored. The goal is to develop DNN based surrogates to predict structural response, i.e., displacements and accelerations,…

Restricted Boltzmann machines (RBM) and deep Boltzmann machines (DBM) are important models in machine learning, and recently found numerous applications in quantum many-body physics. We show that there are fundamental connections between…

X-ray reflectivity (XRR) is widely used for thin-film structure analysis, and XRR data analysis involves minimizing the difference between an XRR curve calculated from model parameters describing the thin-film structure. This analysis takes…

Computational learning approaches to solving visual reasoning tests, such as Raven's Progressive Matrices (RPM), critically depend on the ability to identify the visual concepts used in the test (i.e., the representation) as well as the…

This paper proposes the Mesh Neural Network (MNN), a novel architecture which allows neurons to be connected in any topology, to efficiently route information. In MNNs, information is propagated between neurons throughout a state transition…

Deep Convolutional Neural Networks (CNNs) i.e. Residual Networks (ResNets) have been used successfully for many computer vision tasks, but are difficult to scale to 3D volumetric medical data. Memory is increasingly often the bottleneck…

Semi-supervised learning algorithms reduce the high cost of acquiring labeled training data by using both labeled and unlabeled data during learning. Deep Convolutional Networks (DCNs) have achieved great success in supervised tasks and as…

This study presents a deep neural network (DNN) framework that accelerates Direct Simulation Monte Carlo (DSMC) computations for rarefied-gas flows, while maintaining high physical fidelity. First, a fully connected deep neural network is…

Recurrent Neural Networks (RNNs), which are a powerful scheme for modeling temporal and sequential data need to capture long-term dependencies on datasets and represent them in hidden layers with a powerful model to capture more information…

The high computational complexity and increasing parameter counts of deep neural networks pose significant challenges for deployment in resource-constrained environments, such as edge devices or real-time systems. To address this, we…