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In QM/MM indirect free energy simulation, QM/MM corrections can be obtained from integration of partial derivatives of alchemical Hamiltonians or from perturbation-based estimators including free energy perturbation (FEP) and acceptance…

Chemical Physics · Physics 2018-10-05 Xiaohui Wang , Zhaoxi Sun

We introduce novel results for approximate inference on planar graphical models using the loop calculus framework. The loop calculus (Chertkov and Chernyak, 2006b) allows to express the exact partition function Z of a graphical model as a…

Artificial Intelligence · Computer Science 2014-08-12 Vicenc Gomez , Hilbert Kappen , Michael Chertkov

A Fixed-Parameter Tractable (\FPT) $\rho$-approximation algorithm for a minimization (resp. maximization) parameterized problem $P$ is an FPT algorithm that, given an instance $(x, k)\in P$ computes a solution of cost at most $k \cdot…

Data Structures and Algorithms · Computer Science 2013-08-19 Rajesh Chitnis , MohammadTaghi Hajiaghayi , Guy Kortsarz

The~numerical solutions to a non-linear Fractional Fokker--Planck (FFP) equation are studied estimating the generalized diffusion coefficients. The~aim is to model anomalous diffusion using an FFP description with fractional velocity…

Plasma Physics · Physics 2018-10-08 Johan Anderson , Sara Moradi , Tariq Rafiq

Probabilistic graphical models are a powerful concept for modeling high-dimensional distributions. Besides modeling distributions, probabilistic graphical models also provide an elegant framework for performing statistical inference;…

Artificial Intelligence · Computer Science 2022-09-13 Christian Knoll

This paper presents a method for structural identifiability analysis of fractional order systems by using the coefficient mapping concept to determine whether the model parameters can uniquely be identified from input-output data. The…

Optimization and Control · Mathematics 2015-11-05 S. M. Mahdi Alavi , Adam Mahdi , Pierre E. Jacob , Stephen J. Payne , David A. Howey

In this work, we have presented a simple analytical approximation scheme for generic non-linear FBSDEs. By treating the interested system as the linear decoupled FBSDE perturbed with non-linear generator and feedback terms, we have shown…

Computational Finance · Quantitative Finance 2012-01-23 Masaaki Fujii , Akihiko Takahashi

In this paper, we investigate distributed inference schemes, over binary-valued Markov random fields, which are realized by the belief propagation (BP) algorithm. We first show that a decision variable obtained by the BP algorithm in a…

Information Theory · Computer Science 2019-09-19 Younes Abdi , Tapani Ristaniemi

An essential ingredient of a spectral method is the choice of suitable bases for test and trial spaces. On complex domains, these bases are harder to devise, necessitating the use of domain partitioning techniques such as the spectral…

Numerical Analysis · Mathematics 2021-11-17 Saad Qadeer , Ehssan Nazockdast , Boyce E. Griffith

When using the finite element method (FEM) in inverse problems, its discretization error can produce parameter estimates that are inaccurate and overconfident. The Bayesian finite element method (BFEM) provides a probabilistic model for the…

Numerical Analysis · Mathematics 2026-01-26 Anne Poot , Iuri Rocha , Pierre Kerfriden , Frans van der Meer

Graphical models for finite-dimensional spin glasses and real-world combinatorial optimization and satisfaction problems usually have an abundant number of short loops. The cluster variation method and its extension, the region graph…

Disordered Systems and Neural Networks · Physics 2013-07-29 Haijun Zhou , Chuang Wang

In a complete bipartite graph with vertex sets of cardinalities $n$ and $m$, assign random weights from exponential distribution with mean 1, independently to each edge. We show that, as $n\rightarrow\infty$, with $m = \lceil…

Probability · Mathematics 2014-05-07 Mustafa Khandwawala

Modern applications of conformal inference to multiple testing problems, such as outlier detection and candidate selection, often involve selecting test samples whose conformal p-values fall below a threshold. The quality of such methods is…

Methodology · Statistics 2026-05-21 Ziang Song , Ying Jin , Emmanuel J. Candès

This paper proposes a belief propagation (BP)-based algorithm for sequential detection and estimation of multipath component (MPC) parameters based on radio signals. Under dynamic channel conditions with moving transmitter/receiver, the…

Information Theory · Computer Science 2022-05-24 Xuhong Li , Erik Leitinger , Alexander Venus , Fredrik Tufvesson

The typical behavior of optimal solutions to portfolio optimization problems with absolute deviation and expected shortfall models using replica analysis was pioneeringly estimated by S. Ciliberti and M. M\'ezard [Eur. Phys. B. 57, 175…

Portfolio Management · Quantitative Finance 2016-12-15 Takashi Shinzato , Muneki Yasuda

The maximum energy of the EPR model on a weighted graph is known to be upper-bounded by the sum of the total weight and the value of maximum-weight fractional matching~(MWFM). Recently, Apte, Parekh and Sud~(APS) conjecture that the bound…

Quantum Physics · Physics 2025-07-15 Wenxuan Tao , Fen Zuo

A number of problems in statistical physics and computer science can be expressed as the computation of marginal probabilities over a Markov random field. Belief propagation, an iterative message-passing algorithm, computes exactly such…

Machine Learning · Statistics 2012-10-23 Victorin Martin , Jean-Marc Lasgouttes , Cyril Furtlehner

Gaussian Belief Propagation (BP) algorithm is one of the most important distributed algorithms in signal processing and statistical learning involving Markov networks. It is well known that the algorithm correctly computes marginal density…

Machine Learning · Statistics 2019-03-08 Zhaorong Zhang , Minyue Fu

We study the Maximum Weight Matching (MWM) problem for general graphs through the max-product Belief Propagation (BP) and related Linear Programming (LP). The BP approach provides distributed heuristics for finding the Maximum A Posteriori…

Data Structures and Algorithms · Computer Science 2018-01-03 Sungsoo Ahn , Michael Chertkov , Andrew E. Gelfand , Sejun Park , Jinwoo Shin

The estimation of a random vector with independent components passed through a linear transform followed by a componentwise (possibly nonlinear) output map arises in a range of applications. Approximate message passing (AMP) methods, based…

Information Theory · Computer Science 2016-05-03 Sundeep Rangan , Philip Schniter , Erwin Riegler , Alyson Fletcher , Volkan Cevher
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