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Machine learning frameworks based on correlations of interatomic positions begin with a discretized description of the density of other atoms in the neighbourhood of each atom in the system. Symmetry considerations support the use of…

Chemical Physics · Physics 2023-05-25 Filippo Bigi , Kevin Huguenin-Dumittan , Michele Ceriotti , David E. Manolopoulos

We introduce a graph renormalization procedure based on the coarse-grained Laplacian, which generates reduced-complexity representations for characteristic scales identified through the spectral gap. This method retains both diffusion…

Statistical Mechanics · Physics 2024-11-20 M. Schmidt , F. Caccioli , T. Aste

Many statistical applications involve models for which it is difficult to evaluate the likelihood, but from which it is relatively easy to sample. Approximate Bayesian computation is a likelihood-free method for implementing Bayesian…

Methodology · Statistics 2017-11-29 Wentao Li , Paul Fearnhead

We develop a method to carry out MAP estimation for a class of Bayesian regression models in which coefficients are assigned with Gaussian-based spike and slab priors. The objective function in the corresponding optimization problem has a…

Methodology · Statistics 2012-11-26 Tso-Jung Yen

In a general class of Bayesian nonparametric models, we prove that the posterior distribution can be asymptotically approximated by a Gaussian process. Our results apply to nonparametric exponential family that contains both Gaussian and…

Statistics Theory · Mathematics 2017-11-01 Zuofeng Shang , Guang Cheng

In this work we consider a generalized bilevel optimization framework for solving inverse problems. We introduce fractional Laplacian as a regularizer to improve the reconstruction quality, and compare it with the total variation…

Image and Video Processing · Electrical Eng. & Systems 2020-06-24 Harbir Antil , Zichao Di , Ratna Khatri

We investigate in this paper the estimation of Gaussian graphs by model selection from a non-asymptotic point of view. We start from a n-sample of a Gaussian law P_C in R^p and focus on the disadvantageous case where n is smaller than p. To…

Statistics Theory · Mathematics 2008-07-16 Christophe Giraud

Bayesian optimization (BO) is a powerful framework for optimizing expensive black-box objectives, yet extending it to graph-structured domains remains challenging due to the discrete and combinatorial nature of graphs. Existing approaches…

Machine Learning · Computer Science 2025-11-12 Shu Hong , Yongsheng Mei , Mahdi Imani , Tian Lan

We introduce priors and algorithms to perform Bayesian inference in Gaussian models defined by acyclic directed mixed graphs. Such a class of graphs, composed of directed and bi-directed edges, is a representation of conditional…

Methodology · Statistics 2012-07-02 Ricardo Silva , Zoubin Ghahramani

Bilevel programming has recently received a great deal of attention due to its abundant applications in many areas. The optimal value function approach provides a useful reformulation of the bilevel problem, but its utility is often limited…

Optimization and Control · Mathematics 2025-06-10 Jan Harold Alcantara , Akiko Takeda

A version of the Law of the Iterated Logarithm for smooth functions in the upper-half space is proved. As a consequence, we show that certain size conditions on the gradient and the gradient of the laplacian of a smooth function, lead to…

Classical Analysis and ODEs · Mathematics 2026-05-20 José G. Llorente , Artur Nicolau

We propose an algorithm for Bayesian functional optimisation - that is, finding the function to optimise a process - guided by experimenter beliefs and intuitions regarding the expected characteristics (length-scale, smoothness, cyclicity…

Machine Learning · Computer Science 2020-09-09 Alistair Shilton , Sunil Gupta , Santu Rana , Svetha Venkatesh

We provide sharp boundary regularity estimates for solutions to elliptic equations driven by an integro-differential operator obtained as the sum of a Laplacian with a nonlocal operator generalizing a fractional Laplacian. Our approach…

Analysis of PDEs · Mathematics 2025-12-10 Nicola Abatangelo , Elisa Affili , Matteo Cozzi

We consider a framework for determining and estimating the conditional pairwise relationships of variables when the observed samples are contaminated with measurement error in high dimensional settings. Assuming the true underlying…

Methodology · Statistics 2019-07-05 Michael Byrd , Linh Nghiem , Monnie McGee

Hyperparameter tuning is a challenging problem especially when the system itself involves uncertainty. Due to noisy function evaluations, optimization under uncertainty can be computationally expensive. In this paper, we present a novel…

Machine Learning · Computer Science 2025-10-09 Akash Yadav , Ruda Zhang

Regression-based optimal fingerprinting techniques for climate change detection and attribution require the estimation of the forced signal as well as the internal variability covariance matrix in order to distinguish between their…

Methodology · Statistics 2022-08-08 Samuel Baugh , Karen McKinnon

We develop a Bayesian graphical modeling framework for functional data for correlated multivariate random variables observed over a continuous domain. Our method leads to graphical Markov models for functional data which allows the graphs…

The spectrum of the normalized graph Laplacian yields a very comprehensive set of invariants of a graph. In order to understand the information contained in those invariants better, we systematically investigate the behavior of this…

Combinatorics · Mathematics 2012-10-19 Anirban Banerjee , Jürgen Jost

Bayesian models often involve a small set of hyperparameters determined by maximizing the marginal likelihood. Bayesian optimization is a popular iterative method where a Gaussian process posterior of the underlying function is sequentially…

Computation · Statistics 2022-08-18 Oskar Gustafsson , Mattias Villani , Pär Stockhammar

We introduce and study a mathematical framework for a broad class of regularization functionals for ill-posed inverse problems: Regularization Graphs. Regularization graphs allow to construct functionals using as building blocks linear…

Optimization and Control · Mathematics 2022-09-28 Kristian Bredies , Marcello Carioni , Martin Holler