Related papers: Automatic Differentiable Numerical Renormalization…
A new approach to large-scale nuclear structure calculations, based on the Density Matrix Renormalization Group (DMRG), is described. The method is tested in the context of a problem involving many identical nucleons constrained to move in…
We present a generalized framework, renormalized density matrix downfolding (RDMD), to derive systematically improvable, highly accurate, and nonperturbative effective models from ab initio calculations. This framework moves beyond the…
Optimization-based robot control strategies often rely on first-order dynamics approximation methods, as in iLQR. Using second-order approximations of the dynamics is expensive due to the costly second-order partial derivatives of the…
Differentiation along algorithms, i.e., piggyback propagation of derivatives, is now routinely used to differentiate iterative solvers in differentiable programming. Asymptotics is well understood for many smooth problems but the…
Recurrent neural networks (RNNs) have gained a great deal of attention in solving sequential learning problems. The learning of long-term dependencies, however, remains challenging due to the problem of a vanishing or exploding hidden…
Neural networks that synergistically integrate data and physical laws offer great promise in modeling dynamical systems. However, iterative gradient-based optimization of network parameters is often computationally expensive and suffers…
Neural network quantization has become an important research area due to its great impact on deployment of large models on resource constrained devices. In order to train networks that can be effectively discretized without loss of…
Stochastic gradient descent (SGD), a widely used algorithm in deep-learning neural networks has attracted continuing studies for the theoretical principles behind its success. A recent work reports an anomaly (inverse) relation between the…
An algorithm based on Renormalization Group (RG) to analyze time series forecasting was proposed in cond-mat/0110285. In this paper we explicitly code and test it. We choose in particular some financial time series (stocks, indexes and…
Automatic differentiation (AD) is conventionally understood as a family of distinct algorithms, rooted in two "modes" -- forward and reverse -- which are typically presented (and implemented) separately. Can there be only one? Following up…
In this paper, we will show an unprecedented method to accelerate training and improve performance, which called random gradient (RG). This method can be easier to the training of any model without extra calculation cost, we use Image…
We introduce the Nuclear Electronic All-Particle Density Matrix Renormalization Group (NEAP-DMRG) method for solving the time-independent Schr\"odinger equation simultaneously for electrons and other quantum species. In contrast to already…
We generalize the spectral sum rule preserving density matrix numerical renormalization group (DM-NRG) method in such a way that it can make use of an arbitrary number of not necessarily Abelian, local symmetries present in the quantum…
We analyze the renormalization-group (RG) flows of two effective Lagrangians, one for measurement induced transitions of monitored quantum systems and one for entanglement transitions in random tensor networks. These Lagrangians, previously…
Reconstructing force fields (FFs) from atomistic simulation data is a challenge since accurate data can be highly expensive. Here, machine learning (ML) models can help to be data economic as they can be successfully constrained using the…
Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…
Theoretical understanding of how deep neural network (DNN) extracts features from input images is still unclear, but it is widely believed that the extraction is performed hierarchically through a process of coarse-graining. It reminds us…
In molecular dynamics (MD), neural network (NN) potentials trained bottom-up on quantum mechanical data have seen tremendous success recently. Top-down approaches that learn NN potentials directly from experimental data have received less…
We present numerical renormalization group (NRG) calculations for a single-impurity Anderson model with a linear coupling to a local phonon mode. We calculate dynamical response functions, spectral densities, dynamic charge and spin…
A characteristic feature of differential-algebraic equations is that one needs to find derivatives of some of their equations with respect to time, as part of so called index reduction or regularisation, to prepare them for numerical…