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Alternating-Current Optimal Power Flow (AC-OPF) is framed as a NP-hard non-convex optimization problem that solves for the most economical dispatch of grid generation given the AC-network and device constraints. Although there are no…

Optimization and Control · Mathematics 2023-08-29 Amritanshu Pandey , Aayushya Agarwal , Larry Pileggi

Gaussian process (GP) regression is a non-parametric, Bayesian framework to approximate complex models. Standard GP regression can lead to an unbounded model in which some points can take infeasible values. We introduce a new GP method that…

Machine Learning · Statistics 2024-04-04 Didem Kochan , Xiu Yang

In this paper, we propose decentralized and scalable algorithms for Gaussian process (GP) training and prediction in multi-agent systems. To decentralize the implementation of GP training optimization algorithms, we employ the alternating…

Machine Learning · Statistics 2022-03-08 George P. Kontoudis , Daniel J. Stilwell

This paper presents centralized and distributed Alternating Direction Method of Multipliers (ADMM) frameworks for solving large-scale nonconvex optimization problems with binary decision variables subject to spanning tree or rooted…

Optimization and Control · Mathematics 2026-03-10 Yacine Mokhtari

The gravitational clustering of collisionless particles in an expanding universe is modelled using some simple physical ideas. I show that it is possible to understand the nonlinear clustering in terms of three well defined regimes: (1)…

Astrophysics · Physics 2022-03-09 T. Padmanabhan

The semi-empirical Pariser-Parr-Pople (PPP) Hamiltonian is reviewed for its ability to provide a minimal model of the chemistry of conjugated $\pi$-electron systems, and its current applications and limitations are discussed. From its…

Chemical Physics · Physics 2025-10-07 Marcel David Fabian , Nina Glaser , Gemma C. Solomon

The recent quantum information boom has effected a resurgence of interest in unitary coupled cluster (UCC) theory. Our group's interest in local energy landscapes of unitary ans\"atze prompted us to investigate the classical approach of…

Chemical Physics · Physics 2022-11-01 Harper R. Grimsley , Nicholas J. Mayhall

In the study of alternative or extended theories of gravity, Dirac's Hamiltonian constraint algorithm is invaluable for enumerating the propagating modes and gauge symmetries. For gravity, this canonical approach is frequently applied as a…

Computational Physics · Physics 2026-01-01 Will Barker

We calculate groundstate total energies and single-particle excitation energies of seven pi conjugated molecules described with the semi-empirical Pariser-Parr-Pople (PPP) model using self-consistent many-body perturbation theory at the GW…

Mesoscale and Nanoscale Physics · Physics 2013-11-22 K. Kaasbjerg , K. S. Thygesen

In this paper, we propose an inertial alternating direction method of multipliers for solving a class of non-convex multi-block optimization problems with \emph{nonlinear coupling constraints}. Distinctive features of our proposed method,…

Optimization and Control · Mathematics 2024-02-22 Le Thi Khanh Hien , Dimitri Papadimitriou

A full coupled-cluster expansion suitable for sparse algebraic operations is developed by expanding the commutators of the Baker-Campbell-Hausdorff series explicitly for cluster operators in binary representations. A full coupled-cluster…

Chemical Physics · Physics 2018-09-13 Enhua Xu , Motoyuki Uejima , Seiichiro L. Ten-no

We investigate the capabilities and limitations of Gaussian process models by jointly exploring three complementary directions: (i) scalable and statistically efficient inference; (ii) flexible kernels; and (iii) objective functions for…

Machine Learning · Statistics 2017-03-07 Karl Krauth , Edwin V. Bonilla , Kurt Cutajar , Maurizio Filippone

Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation…

Strongly Correlated Electrons · Physics 2009-10-31 Miguel A. Ojeda , J. Dorantes-Davila , G. M. Pastor

Current approaches to expert systems' reasoning under uncertainty fail to capture the iterative revision process characteristic of intelligent human reasoning. This paper reports on a system, called the Non-monotonic Probabilist, or NMP…

Artificial Intelligence · Computer Science 2013-04-12 Kathryn Blackmond Laskey , Marvin S. Cohen

We present a method for the fast computation of the eigenpairs of a bijective positive symmetric linear operator $\mathcal{L}$. The method is based on a combination of operator adapted wavelets (gamblets) with hierarchical subspace…

Numerical Analysis · Mathematics 2019-09-05 Hehu Xie , Lei Zhang , Houman Owhadi

We present a global optimization approach for solving the maximum a-posteriori (MAP) clustering problem under the Gaussian mixture model.Our approach can accommodate side constraints and it preserves the combinatorial structure of the MAP…

Machine Learning · Statistics 2020-03-18 Patrick Flaherty , Pitchaya Wiratchotisatian , Ji Ah Lee , Zhou Tang , Andrew C. Trapp

The method of choice for describing attractive quantum systems is Hartree-Fock-Bogoliubov (HFB) theory. This is a nonlinear model which allows for the description of pairing effects, the main explanation for the superconductivity of certain…

Numerical Analysis · Mathematics 2013-11-08 Mathieu Lewin , Séverine Paul

The Gaussian Effective Potential (GEP) is shown to be a useful variational tool for the study of the magnetic properties of strongly correlated electronic systems. The GEP is derived for a single band Hubbard model on a two-dimensional…

Strongly Correlated Electrons · Physics 2012-07-10 Luca Marotta , Fabio Siringo

Following the program, proposed in hep-th/0310113, of systematizing known properties of matrix model partition functions (defined as solutions to the Virasoro-like sets of linear differential equations), we proceed to consideration of…

High Energy Physics - Theory · Physics 2009-05-01 A. Alexandrov , A. Mironov , A. Morozov

In this paper, a novel parallel hybrid iterative method is proposed for finding a common element of the set of solutions of a system of equilibrium problems, the set of solutions of variational inequalities for inverse strongly monotone…

Optimization and Control · Mathematics 2015-10-28 Dang Van Hieu