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The direct variational optimization of the two-electron reduced density matrix (2RDM) can provide a reference-independent description of the electronic structure of many-electron systems that naturally captures strong or nondynamic…

Chemical Physics · Physics 2024-06-19 Run R. Li , Marcus D. Liebenthal , A. Eugene DePrince

We introduce a non perturbative general approximation scheme (NGAS) that can handle interactions of any strength in quantum theory. This approach starts with an input Hamiltonian that can be solved exactly. The interaction effects are then…

Quantum Physics · Physics 2025-10-09 B. P. Mahapatra

Many imaging problems, such as total variation reconstruction of X-ray computed tomography (CT) and positron-emission tomography (PET), are solved via a convex optimization problem with near-circulant, but not actually circulant, linear…

Optimization and Control · Mathematics 2019-12-02 Ernest K. Ryu , Seyoon Ko , Joong-Ho Won

Approximate Bayesian computation methods are useful for generative models with intractable likelihoods. These methods are however sensitive to the dimension of the parameter space, requiring exponentially increasing resources as this…

Computation · Statistics 2026-02-09 Grégoire Clarté , Christian P. Robert , Robin Ryder , Julien Stoehr

We present a novel linear program for the approximation of the dynamic programming cost-to-go function in high-dimensional stochastic control problems. LP approaches to approximate DP have typically relied on a natural `projection' of a…

Optimization and Control · Mathematics 2009-10-05 V. V. Desai , V. F. Farias , C. C. Moallemi

We have developed efficient numerical algorithms for solving 3D steady-state Poisson-Nernst-Planck (PNP) equations with excess chemical potentials described by the classical density functional theory (cDFT). The coupled PNP equations are…

Numerical Analysis · Mathematics 2016-08-24 Da Meng , Bin Zheng , Guang Lin , Maria L. Sushko

We extend our previous study of elastic pion-nucleon scattering in the framework of chiral perturbation theory by performing a combined analysis of the reactions $\pi N \to \pi N$ and $\pi N \to \pi \pi N$. The calculation is carried out to…

Nuclear Theory · Physics 2020-03-05 D. Siemens , V. Bernard , E. Epelbaum , A. M. Gasparyan , H. Krebs , Ulf-G. Meißner

With the rapid development of artificial intelligence technology, the field of reinforcement learning has continuously achieved breakthroughs in both theory and practice. However, traditional reinforcement learning algorithms often entail…

Artificial Intelligence · Computer Science 2024-06-21 Yuhao Pan , Xiucheng Wang , Nan Cheng , Qi Qiu

We describe an algorithm that takes as input n points in the plane and a parameter {\epsilon}, and produces as output an embedded planar graph having the given points as a subset of its vertices in which the graph distances are a (1 +…

Computational Geometry · Computer Science 2016-03-22 Glencora Borradaile , David Eppstein

We apply a Gaussian variational approximation to model reduction in large biochemical networks of unary and binary reactions. We focus on a small subset of variables (subnetwork) of interest, e.g. because they are accessible experimentally,…

Chemical Physics · Physics 2017-08-02 Barbara Bravi , Peter Sollich

A well-established method to deal with highly correlated systems is based on the expansion of the Green's function in terms of spectral moments. In the context of the Composite Operator Method one approximation is proposed: a set of n…

Strongly Correlated Electrons · Physics 2007-05-23 F. Mancini

Physics-informed neural networks (PINNs) have recently received much attention due to their capabilities in solving both forward and inverse problems. For training a deep neural network associated with a PINN, one typically constructs a…

Machine Learning · Computer Science 2022-08-26 Pouyan Nasiri , Roozbeh Dargazany

Probabilistic power flow (PPF) analysis is critical to power system operation and planning. PPF aims at obtaining probabilistic descriptions of the state of the system with stochastic power injections (e.g., renewable power generation and…

Systems and Control · Electrical Eng. & Systems 2023-08-23 Kejun Chen , Yu Zhang

Motivated by recent research on Physics-Informed Neural Networks (PINNs), we make the first attempt to introduce the PINNs for numerical simulation of the elliptic Partial Differential Equations (PDEs) on 3D manifolds. PINNs are one of the…

Numerical Analysis · Mathematics 2021-03-05 Zhuochao Tang , Zhuojia Fu

After a brief discussion about the necessity of using the 3D approach, we present the non PW formalism for 3N bound state with the inclusion of 3N force (3NF). As an example the evaluation of 3NF matrix elements, which appear in the…

Nuclear Theory · Physics 2009-05-30 M. R. Hadizadeh , S. Bayegan

A hybrid approach, incorporating concepts of nonlinear dynamics in artificial neural networks (ANN), is proposed to model time series generated by complex dynamic systems. We introduce well known features used in the study of dynamic…

comp-gas · Physics 2008-02-03 D. R. Kulkarni , A. S. Pandya , J. C. Parikh

3D Geometric Graph Neural Networks (GNNs) have emerged as transformative tools for modeling molecular data. Despite their predictive power, these models often suffer from limited interpretability, raising concerns for scientific…

Machine Learning · Computer Science 2025-05-06 Jingxiang Qu , Wenhan Gao , Jiaxing Zhang , Xufeng Liu , Hua Wei , Haibin Ling , Yi Liu

Accurate and efficient power flow (PF) analysis is crucial in modern electrical networks' operation and planning. Therefore, there is a need for scalable algorithms that can provide accurate and fast solutions for both small and large scale…

Machine Learning · Computer Science 2024-02-14 Nan Lin , Stavros Orfanoudakis , Nathan Ordonez Cardenas , Juan S. Giraldo , Pedro P. Vergara

Gauge field theories play a central role in modern physics and are at the heart of the Standard Model of elementary particles and interactions. Despite significant progress in applying classical computational techniques to simulate gauge…

Quantum Physics · Physics 2020-04-15 Zohreh Davoudi , Mohammad Hafezi , Christopher Monroe , Guido Pagano , Alireza Seif , Andrew Shaw

The three-neutron ($3n$) system is studied by numerical calculations with the Faddeev three-body formalism for a realistic nucleon-nucleon (NN) potential. A response function for the transition from ${}^3\mathrm{H}$ to $3n$ continuum states…

Nuclear Theory · Physics 2025-03-20 Souichi Ishikawa
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