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In the past three decades, a wide array of computational methodologies and simulation frameworks has emerged to address the complexities of modeling multi-phase flow and transport processes in fractured porous media. The conformal mesh…
Complex nonlinear dynamics are ubiquitous in many fields. Moreover, we rarely have access to all of the relevant state variables governing the dynamics. Delay embedding allows us, in principle, to account for unobserved state variables.…
Many real-world datasets are time series that are sequentially collected and contain rich temporal information. Thus, a common interest in practice is to capture dynamics of time series and predict their future evolutions. To this end, the…
We investigate the parameter-space geometry of recurrent neural networks (RNNs), and develop an adaptation of path-SGD optimization method, attuned to this geometry, that can learn plain RNNs with ReLU activations. On several datasets that…
Molecular dynamics (MD) is a powerful tool for exploring the behavior of atomistic systems, but its reliance on sequential numerical integration limits simulation efficiency. We present a novel neural network architecture, MDtrajNet, and a…
CFD acceleration for virtual nuclear reactors or digital twin technology is a primary goal in the nuclear industry. This study compares advanced convolutional neural network (CNN) architectures for accelerating unsteady computational fluid…
This paper proposes a novel framework for recurrent neural networks (RNNs) inspired by the human memory models in the field of cognitive neuroscience to enhance information processing and transmission between adjacent RNNs' units. The…
Deep neural networks have recently demonstrated the traffic prediction capability with the time series data obtained by sensors mounted on road segments. However, capturing spatio-temporal features of the traffic data often requires a…
This paper introduces a new generative deep learning network for human motion synthesis and control. Our key idea is to combine recurrent neural networks (RNNs) and adversarial training for human motion modeling. We first describe an…
Generative models are a promising technology for the enhancement of quantum simulators. These machine learning methods are capable of reconstructing a quantum state from experimental measurements, and can aid in the calculation of physical…
Graph processes exhibit a temporal structure determined by the sequence index and and a spatial structure determined by the graph support. To learn from graph processes, an information processing architecture must then be able to exploit…
Recurrent neural network is a powerful model that learns temporal patterns in sequential data. For a long time, it was believed that recurrent networks are difficult to train using simple optimizers, such as stochastic gradient descent, due…
Quantum Recurrent Neural Networks (QRNNs) are robust candidates for modelling and predicting future values in multivariate time series. However, the effective implementation of some QRNN models is limited by the need for mid-circuit…
Recurrent Neural Networks (RNNs) achieve state-of-the-art results in many sequence-to-sequence modeling tasks. However, RNNs are difficult to train and tend to suffer from overfitting. Motivated by the Data Processing Inequality (DPI), we…
In studying solidification process by simulations on the atomic scale, the modeling of crystal nucleation or amorphisation requires the construction of interatomic interactions that are able to reproduce the properties of both the solid and…
A variety of real-world processes (over networks) produce sequences of data whose complex temporal dynamics need to be studied. More especially, the event timestamps can carry important information about the underlying network dynamics,…
Recurrent neural networks with a gating mechanism such as an LSTM or GRU are powerful tools to model sequential data. In the mechanism, a forget gate, which was introduced to control information flow in a hidden state in the RNN, has…
Molecular dynamics (MD) simulations are a central tool in science and engineering enabling the study of dynamical behavior and the link between microscopic structure and macroscopic function. Their high computational cost, however, has…
Detecting structure in noisy time series is a difficult task. One intuitive feature is the notion of trend. From theoretical hints and using simulated time series, we empirically investigate the efficiency of standard recurrent neural…
We introduce a novel recurrent neural network (RNN) approach to account for temporal dynamics and dependencies in brain networks observed via functional magnetic resonance imaging (fMRI). Our approach directly parameterizes temporal…