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Inferential methods can be used to integrate experimental informations and molecular simulations. The maximum entropy principle provides a framework for using equilibrium experimental data and it has been shown that replica-averaged…

Biomolecules · Quantitative Biology 2018-05-16 Riccardo Capelli , Guido Tiana , Carlo Camilloni

Ensuring the correctness of critical real-time systems, involving concurrent behaviours and timing requirements, is crucial. Timed automata extend finite-state automata with clocks, compared in guards and invariants with integer constants.…

Logic in Computer Science · Computer Science 2026-05-06 Étienne André , Didier Lime , Olivier H. Roux

In this overview article we will consider the deliberate restarting of algorithms, a meta technique, in order to improve the algorithm's performance, e.g., convergence rates or approximation guarantees. One of the major advantages is that…

Optimization and Control · Mathematics 2020-06-29 Sebastian Pokutta

In this paper we pose the question: After gathering N data points, at what value of the control parameter should the next measurement be done? We propose an on-line algorithm which samples optimally by maximizing the gain in information on…

Disordered Systems and Neural Networks · Physics 2009-10-31 Peter Riegler , Nestor Caticha

Statistical mechanics relies on the complete though probabilistic description of a system in terms of all the microscopic variables. Its object is to derive therefrom static and dynamic properties involving some reduced set of variables.…

Statistical Mechanics · Physics 2009-10-31 R. Balian

Stochastic restart may drastically reduce the expected run time of a computer algorithm, expedite the completion of a complex search process, or increase the turnover rate of an enzymatic reaction. These diverse first-passage-time (FPT)…

Statistical Mechanics · Physics 2020-10-30 Shlomi Reuveni

Parameterless stopping criteria for recursive polynomial expansions to construct the density matrix in electronic structure calculations are proposed. Based on convergence order estimation the new stopping criteria automatically and…

Computational Physics · Physics 2017-01-13 Anastasia Kruchinina , Elias Rudberg , Emanuel H. Rubensson

In this paper, we extend the notion of microstate free entropy to the bi-free setting. In particular, using the bi-free analogue of random matrices, microstate bi-free entropy is defined. Properties essential to an entropy theory are…

Operator Algebras · Mathematics 2022-10-25 Ian Charlesworth , Paul Skoufranis

We consider optimal stopping problems, in which a sequence of independent random variables is drawn from a known continuous density. The objective of such problems is to find a procedure which maximizes the expected reward; this is often…

Probability · Mathematics 2020-12-07 Hugh Entwistle , Christopher Lustri , Georgy Sofronov

The estimation of a density profile from experimental data points is a challenging problem, usually tackled by plotting a histogram. Prior assumptions on the nature of the density, from its smoothness to the specification of its form, allow…

Methodology · Statistics 2015-03-13 Alberto Bernacchia , Simone Pigolotti

Combining the mutual information criterion with a forward feature selection strategy offers a good trade-off between optimality of the selected feature subset and computation time. However, it requires to set the parameter(s) of the mutual…

Machine Learning · Computer Science 2007-09-26 Damien François , Fabrice Rossi , Vincent Wertz , Michel Verleysen

The principle of maximum entropy provides a useful method for inferring statistical mechanics models from observations in correlated systems, and is widely used in a variety of fields where accurate data are available. While the assumptions…

Neurons and Cognition · Quantitative Biology 2017-06-02 Ulisse Ferrari , Tomoyuki Obuchi , Thierry Mora

Renewal processes are broadly used to model stochastic behavior consisting of isolated events separated by periods of quiescence, whose durations are specified by a given probability law. Here, we identify the minimal sufficient statistic…

Statistical Mechanics · Physics 2023-07-19 Sarah Marzen , James P. Crutchfield

We propose a new procedure for inference on optimal treatment regimes in the model-free setting, which does not require to specify an outcome regression model. Existing model-free estimators for optimal treatment regimes are usually not…

Methodology · Statistics 2020-07-06 Yunan Wu , Lan Wang

The absence of an algorithm that effectively monitors deep learning models used in side-channel attacks increases the difficulty of evaluation. If the attack is unsuccessful, the question is if we are dealing with a resistant implementation…

Cryptography and Security · Computer Science 2021-11-30 Servio Paguada , Lejla Batina , Ileana Buhan , Igor Armendariz

We consider the problem of optimizing time averages in systems with independent and identically distributed behavior over renewal frames. This includes scheduling and task processing to maximize utility in stochastic networks with variable…

Optimization and Control · Mathematics 2010-11-30 Michael J. Neely

Inferring the input parameters of simulators from observations is a crucial challenge with applications from epidemiology to molecular dynamics. Here we show a simple approach in the regime of sparse data and approximately correct models,…

Methodology · Statistics 2022-04-06 Rainier Barrett , Mehrad Ansari , Gourab Ghoshal , Andrew D White

This work addresses inverse linear optimization where the goal is to infer the unknown cost vector of a linear program. Specifically, we consider the data-driven setting in which the available data are noisy observations of optimal…

Optimization and Control · Mathematics 2021-12-07 Rishabh Gupta , Qi Zhang

Variational regularization of ill-posed inverse problems is based on minimizing the sum of a data fidelity term and a regularization term. The balance between them is tuned using a positive regularization parameter, whose automatic choice…

Numerical Analysis · Mathematics 2025-11-12 Markus Juvonen , Bjørn Jensen , Ilmari Pohjola , Yiqiu Dong , Samuli Siltanen

The maximum entropy ansatz, as it is often invoked in the context of time-series analysis, suggests the selection of a power spectrum which is consistent with autocorrelation data and corresponds to a random process least predictable from…

Probability · Mathematics 2008-07-19 Tryphon T. Georgiou