Related papers: Nonlinear Network description for many-body quantu…
Applications of neural networks to condensed matter physics are becoming popular and beginning to be well accepted. Obtaining and representing the ground and excited state wave functions are examples of such applications. Another…
Machine-learning-based variational Monte Carlo simulations are a promising approach for targeting quantum many-body ground states, especially in two dimensions and in cases where the ground state is known to have a non-trivial sign…
We present in detail a set of algorithms to carry out fluid displacements in a dynamic pore-network model of immiscible two-phase flow in porous media. The algorithms are general and applicable to regular and irregular pore networks in two…
This paper proposes a deep neural network approach for predicting multiphase flow in heterogeneous domains with high computational efficiency. The deep neural network model is able to handle permeability heterogeneity in high dimensional…
This paper extends the Multilevel Monte Carlo variance reduction technique to nonlinear filtering. In particular, Multilevel Monte Carlo is applied to a certain variant of the particle filter, the Ensemble Transform Particle Filter. A key…
A new machine learning scheme, termed versatile reservoir computing, is proposed for sustaining the dynamics of heterogeneous complex networks. We show that a single, small-scale reservoir computer trained on time series from a subset of…
Monte Carlo simulations are commonly used to calculate photon reflectance, absorptance, and transmittance of multi-layer scattering and absorbing media, but they can quickly become prohibitively expensive as the number of layers increases.…
The recent development of high-performance computing enables us to generate spatio-temporal high-resolution data of nonlinear dynamical systems and to analyze them for a deeper understanding of their complex nature. This trend can be found…
Variational Monte Carlo simulations have been crucial for understanding quantum many-body systems, especially when the Hamiltonian is frustrated and the ground-state wavefunction has a non-trivial sign structure. In this paper, we use…
The ground state of second-quantized quantum chemistry Hamiltonians provides access to an important set of chemical properties. Wavefunctions based on ML architectures have shown promise in approximating these ground states in a variety of…
Identification of nonlinear systems is a challenging problem. Physical knowledge of the system can be used in the identification process to significantly improve the predictive performance by restricting the space of possible mappings from…
Recently developed neural network-based \emph{ab-initio} solutions (Pfau et. al arxiv:1909.02487v2) for finding ground states of fermionic systems can generate state-of-the-art results on a broad class of systems. In this work, we improve…
We present a hybrid scheme based on classical density functional theory and machine learning for determining the equilibrium structure and thermodynamics of inhomogeneous fluids. The exact functional map from the density profile to the…
In this paper, we introduce an efficient backpropagation scheme for non-constrained implicit functions. These functions are parametrized by a set of learnable weights and may optionally depend on some input; making them perfectly suitable…
We introduce a neural network-based approach for modeling wave functions that satisfy Bose-Einstein statistics. Applying this model to small $^4He_N$ clusters (with N ranging from 2 to 14 atoms), we accurately predict ground state energies,…
When a fluid comprised of multiple phases or constituents flows through a network, non-linear phenomena such as multiple stable equilibrium states and spontaneous oscillations can occur. Such behavior has been observed or predicted in a…
Fault-tolerant Quantum Processing Units (QPUs) promise to deliver exponential speed-ups in select computational tasks, yet their integration into modern deep learning pipelines remains unclear. In this work, we take a step towards bridging…
A Metropolis Monte Carlo algorithm is given for the case of a complex phase space weight, which applies generally in quantum statistical mechanics. Computer simulations using Lennard-Jones $^4$He near the $\lambda$-transition, including an…
The method recently introduced in arXiv:2011.10115 realizes a deep neural network with just a single nonlinear element and delayed feedback. It is applicable for the description of physically implemented neural networks. In this work, we…
The Normalizing Flow (NF) models a general probability density by estimating an invertible transformation applied on samples drawn from a known distribution. We introduce a new type of NF, called Deep Diffeomorphic Normalizing Flow (DDNF).…