English
Related papers

Related papers: Configuration weights in coupled-cluster theory

200 papers

Model-based clustering is a powerful tool that is often used to discover hidden structure in data by grouping observational units that exhibit similar response values. Recently, clustering methods have been developed that permit…

Methodology · Statistics 2025-06-24 Sally Paganin , Garritt L. Page , Fernando Andrés Quintana

Clustering ensemble has emerged as an important research topic in the field of machine learning. Although numerous methods have been proposed to improve clustering quality, most existing approaches overlook the need for interpretability in…

Machine Learning · Computer Science 2025-06-09 Hang Lv , Lianyu Hu , Mudi Jiang , Xinying Liu , Zengyou He

Statistical inference for stochastic block models typically relies on the spectrum of the normalized adjacency matrix $\A^*$. In practice, the true probability matrix $\mathbf{B}$ is unknown and must be replaced by a plug-in estimator…

Methodology · Statistics 2026-04-09 Jianwei Hu , Ding Chen , Ji Zhu

We propose a relativistic unitary coupled cluster (UCC) expectation value approach for computing first-order properties of heavy-element systems. Both perturbative (UCC3) and non-perturbative (qUCC) commutator-based formulations are applied…

Chemical Physics · Physics 2026-02-03 Kamal Majee , Somesh Chamoli , Malaya K. Nayak , Achintya Kumar Dutta

In this paper, we develop a theoretical framework that extends single-reference (SR) coupled-cluster (CC) theory beyond its conventional role of describing a single electronic state-typically the lowest-energy state within the symmetry…

Quantum Physics · Physics 2026-02-17 Karol Kowalski , Nicholas P. Bauman

This paper proposes a Clustered Unit Commitment (CUC) formulation to accurately model flexibility requirements such as ramping, reserve, and startup/shutdown constraints. The CUC is commonly applied in large and long-term planning models to…

Optimization and Control · Mathematics 2019-06-21 German Morales-Espana , Diego A. Tejada-Arango

Clustering algorithms build jets though the iterative application of single particle and pairwise metrics. This leads to phase space constraints that are extremely complicated beyond the lowest orders in perturbation theory, and in practice…

High Energy Physics - Phenomenology · Physics 2012-04-05 Randall Kelley , Jonathan R. Walsh , Saba Zuberi

Ensuring that predicted probabilities align with observed frequencies is critical in high-stakes domains such as clinical decision support, autonomous driving and financial risk assessment. Existing calibration methods typically apply a…

Machine Learning · Computer Science 2026-05-26 Tomer Lavi , Bracha Shapira , Nadav Rappoport

Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose…

Machine Learning · Statistics 2010-12-01 Gunnar Carlsson , Facundo Memoli

A wide class of coupled-cluster methods is introduced, based on Arponen's extended coupled-cluster theory. This class of methods is formulated in terms of a coordinate transformation of the cluster operators. The mathematical framework for…

Chemical Physics · Physics 2020-12-02 Simen Kvaal , Andre Laestadius , Tilmann Bodenstein

This paper proposes a new approach to estimating the distribution of a response variable conditioned on observing some factors. The proposed approach possesses desirable properties of flexibility, interpretability, tractability and…

Methodology · Statistics 2023-03-16 Cheng Peng , Stanislav Uryasev

Many scientific questions in biomedical, environmental, and psychological research involve understanding the effects of multiple factors on outcomes. While factorial experiments are ideal for this purpose, randomized controlled treatment…

Methodology · Statistics 2025-12-03 Ruoqi Yu , Peng Ding

How to establish some specific quantitative weighted estimates for the generalized commutator of multilinear fractional singular integral operator $\mathcal{T}_{\eta}^{{\bf b}}$ is the focus of this paper, which is defined by…

Classical Analysis and ODEs · Mathematics 2025-01-24 Xi Cen , Zichen Song

In this paper, we gave a weighted compactness theory for the generalized commutators of vecotor-valued multilinear Calder\'{o}n-Zygmund operators. This was done by establishing a weighted Fr\'{e}chet-Kolmogorov theorem, which holds for…

Classical Analysis and ODEs · Mathematics 2019-12-19 Qingying Xue , Kozo Yabuta , Jingquan Yan

Selecting an appropriate evaluation metric for classifiers is crucial for model comparison, parameter optimization, and deployment decisions, yet there is no consensus on a broadly accepted evaluation paradigm explicitly aligned with Total…

Machine Learning · Computer Science 2026-05-28 Pierangelo Lombardo , Antonio Casoli , Cristian Cingolani , Shola Oshodi , Michele Zanatta

Weighting estimators based on propensity scores are widely used for causal estimation in a variety of contexts, such as observational studies, marginal structural models and interference. They enjoy appealing theoretical properties such as…

Methodology · Statistics 2021-10-06 Linbo Wang , Yuexia Zhang , Thomas S. Richardson , Xiao-Hua Zhou

We show that loop gravity can equally well be formulated in in terms of spinorial variables (instead of the group variables which are commonly used), which have recently been shown to provide a direct link between spin network states and…

General Relativity and Quantum Cosmology · Physics 2015-05-30 Etera R. Livine , Johannes Tambornino

A new state specific correlation correction to configuration interaction singles (CIS) excitation energies is preseted using coupled cluster perturbation theory (CCPT). General expressions for CIS-CCPT are derived and expanded explicitly to…

Chemical Physics · Physics 2015-06-19 Jason N. Byrd , Victor F. Lotrich , Rodney J. Bartlett

This paper considers inference when there is a single treated cluster and a fixed number of control clusters, a setting that is common in empirical work, especially in difference-in-differences designs. We use the t-statistic and develop…

Econometrics · Economics 2025-11-11 Chun Pong Lau , Xinran Li

We introduce cosurfaces with values in the group \(\PC_n(H)\) of \(H\)-valued reciprocal pairwise comparison matrices. The composition law is covariant on upper triangular coefficients and contravariant on lower triangular coefficients,…

General Physics · Physics 2026-05-06 Jean-Pierre Magnot