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Traditional clustering methods often perform clustering with low-level indiscriminative representations and ignore relationships between patterns, resulting in slight achievements in the era of deep learning. To handle this problem, we…

Machine Learning · Computer Science 2019-05-07 Jianlong Chang , Yiwen Guo , Lingfeng Wang , Gaofeng Meng , Shiming Xiang , Chunhong Pan

In the molecular quantum chemistry community, coupled-cluster (CC) methods are well-recognized for their systematic convergence and reliability. The extension of the theory to extended systems has been comparably recent, so that…

Chemical Physics · Physics 2024-10-31 Andreas Grüneis , Evgeny Moerman , Matthias Scheffler , Tonghao Shen , Igor Ying Zhang

The multi-configurational self-consistent field theory is considered the standard starting point for almost all multireference approaches required for strongly-correlated molecular problems. The limitation of the approach is generally given…

Chemical Physics · Physics 2015-10-14 Robert E. Thomas , Qiming Sun , Ali Alavi , George H. Booth

We propose a mixture of latent trait models with common slope parameters (MCLT) for model-based clustering of high-dimensional binary data, a data type for which few established methods exist. Recent work on clustering of binary data, based…

Methodology · Statistics 2017-10-09 Yang Tang , Ryan P. Browne , Paul D. McNicholas

Real-time coupled cluster (CC) methods have several advantages over their frequency-domain counterparts, namely, response and equation of motion CC theories. Broadband spectra, strong fields, and pulse manipulation allow for the simulation…

Chemical Physics · Physics 2023-08-04 Benjamin G. Peyton , Zhe Wang , T. Daniel Crawford

We study scalar one-loop amplitudes in massive $\phi^3$-theory within causal loop-tree duality. We derive a recurrence relation for the integrand of the amplitude. The integrand is by construction free of spurious singularities on…

High Energy Physics - Theory · Physics 2022-10-07 Sascha Kromin , Niklas Schwanemann , Stefan Weinzierl

We present a novel specialization of the variational Monte Carlo linear method for the optimization of the recently introduced cluster Jastrow antisymmetric geminal power ansatz, achieving a lower-order polynomial cost scaling than would be…

Chemical Physics · Physics 2016-03-23 Eric Neuscamman

We propose a Monte Carlo method, which is a hybrid method of the quantum Monte Carlo method and variational Monte Carlo theory, to study the Hubbard model. The theory is based on the off-diagonal and the Gutzwiller type correlation factors…

Strongly Correlated Electrons · Physics 2015-06-24 Takashi Yanagisawa , Soh Koike , Kunihiko Yamaji

We introduce a range-separation approximation to coupled cluster doubles (CCD) theory that successfully overcomes limitations of regular CCD when applied to the uniform electron gas. We combine the short-range ladder channel with the…

Chemical Physics · Physics 2014-05-07 James J. Shepherd , Thomas M. Henderson , Gustavo E. Scuseria

Recently I proposed a new method for solving the pairing Hamiltonian with the pair-condensate wavefunction ansatz based on the Heisenberg equations of motion for the density matrix operators. In this work an improved version is given by…

Nuclear Theory · Physics 2015-06-23 L. Y. Jia

The dual exponential coupled cluster (CC) theory proposed by Tribedi et al.[J. Chem. Theory Comput. 2020, 16, 10, 6317-6328] performs significantly better than the coupled cluster theory with singles and doubles excitations (CCSD) due to…

Computational Physics · Physics 2023-07-26 Anish Chakraborty , Rahul Maitra

This paper extends the design-based framework to settings with multi-way cluster dependence, and shows how multi-way clustering can be justified when clustered assignment and clustered sampling occurs on different dimensions, or when either…

Econometrics · Economics 2023-09-06 Luther Yap

Fixed effects models are very flexible because they do not make assumptions on the distribution of effects and can also be used if the heterogeneity component is correlated with explanatory variables. A disadvantage is the large number of…

Methodology · Statistics 2015-12-17 Moritz Berger , Gerhard Tutz

Boosting techniques from the field of statistical learning have grown to be a popular tool for estimating and selecting predictor effects in various regression models and can roughly be separated in two general approaches, namely gradient…

Methodology · Statistics 2019-12-16 Colin Griesbach , Andreas Groll , Elisabeth Waldmann

For multivariate data, tandem clustering is a well-known technique aiming to improve cluster identification through initial dimension reduction. Nevertheless, the usual approach using principal component analysis (PCA) has been criticized…

Methodology · Statistics 2024-03-26 Andreas Alfons , Aurore Archimbaud , Klaus Nordhausen , Anne Ruiz-Gazen

Deterministic simulations of the rate equations governing cluster dynamics in materials are limited by the number of equations to integrate. Stochastic simulations are limited by the high frequency of certain events. We propose a coupling…

Materials Science · Physics 2017-10-11 Pierre Terrier , Manuel Athènes , Thomas Jourdan , Gilles Adjanor , Gabriel Stoltz

The pairing hierarchy of perfect pairing (PP), perfect quadruples (PQ) and perfect hextuples (PH) are sparsified coupled cluster models that are exact in a pairing active space for 2, 4, and 6 electron clusters, respectively. We describe…

Chemical Physics · Physics 2025-04-03 Susi Lehtola , Martin Head-Gordon

We consider clustering in group decision making where the opinions are given by pairwise comparison matrices. In particular, the k-medoids model is suggested to classify the matrices since it has a linear programming problem formulation…

Optimization and Control · Mathematics 2025-04-17 Kolos Csaba Ágoston , Sándor Bozóki , László Csató

An implementation of a complex solver for the solution of the response equations required to compute the complex response functions of damped response theory is presented for the resolution-of-identity (RI) coupled-cluster singles and…

Chemical Physics · Physics 2022-03-29 Daniil A. Fedotov , Sonia Coriani , Christof Hättig

The cluster mean-field approximations are performed, up to 13 cluster sizes, to study the critical behavior of the driven pair contact process with diffusion (DPCPD) and its precedent, the PCPD in one dimension. Critical points are…

Statistical Mechanics · Physics 2007-05-23 Su-Chan Park , Hyunggyu Park