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We develop a multi-state generalisation of the recently proposed mapping approach to surface hopping (MASH) for the simulation of electronically nonadiabatic dynamics. This new approach extends the original MASH method to be able to treat…

Chemical Physics · Physics 2024-03-19 Joseph E. Lawrence , Jonathan R. Mannouch , Jeremy O. Richardson

We consider approximate dynamic programming for the infinite-horizon stationary $\gamma$-discounted optimal control problem formalized by Markov Decision Processes. While in the exact case it is known that there always exists an optimal…

Optimization and Control · Mathematics 2013-04-23 Boris Lesner , Bruno Scherrer

Homogenisation empowers the efficient macroscale system level prediction of physical scenarios with intricate microscale structures. Here we develop an innovative powerful, rigorous and flexible framework for asymptotic homogenisation of…

Dynamical Systems · Mathematics 2025-04-08 A. J. Roberts

Application domains of Bayesian optimization include optimizing black-box functions or very complex functions. The functions we are interested in describe complex real-world systems applied in industrial settings. Even though they do have…

Machine Learning · Computer Science 2021-06-14 Franz Brauße , Zurab Khasidashvili , Konstantin Korovin

We prove that under natural assumptions on the data strong solutions in Sobolev spaces of semilinear parabolic equations in divergence form involving measure on the right-hand side may be represented by solutions of some generalized…

Probability · Mathematics 2015-03-24 Tomasz Klimsiak

We propose a general framework for a hybrid continuous-discrete algorithm that integrates continuous-time deterministic dynamics with Metropolis-Hastings steps to combine search dynamics with and without detailed balance. Our purpose is to…

Statistical Mechanics · Physics 2024-10-31 Timothée Leleu , Samuel Reifenstein

Advances in sampling schemes for Markov jump processes have recently enabled multiple inferential tasks. However, in statistical and machine learning applications, we often require that these continuous-time models find support on…

Computation · Statistics 2018-06-08 Iker Perez , Lax Chan , Mercedes Torres Torres , James Goulding , Theodore Kypraios

Training multi-agent systems (MAS) to achieve realistic equilibria gives us a useful tool to understand and model real-world systems. We consider a general sum partially observable Markov game where agents of different types share a single…

Multiagent Systems · Computer Science 2020-10-26 Nelson Vadori , Sumitra Ganesh , Prashant Reddy , Manuela Veloso

Conflict-Based Search is one of the most popular methods for multi-agent path finding. Though it is complete and optimal, it does not scale well. Recent works have been proposed to accelerate it by introducing various heuristics. However,…

Artificial Intelligence · Computer Science 2023-01-23 Chenning Yu , Qingbiao Li , Sicun Gao , Amanda Prorok

We investigate under which conditions a mixed state on a finite-dimensional multipartite quantum system may be the unique, globally stable fixed point of frustration-free semigroup dynamics subject to specified quasi-locality constraints.…

Quantum Physics · Physics 2016-03-28 Peter D. Johnson , Francesco Ticozzi , Lorenza Viola

We propose a tactical homotopy-aware decision-making framework for game-theoretic motion planning in urban environments. We model urban driving as a generalized Nash equilibrium problem and employ a mixed-integer approach to tame the…

Multiagent Systems · Computer Science 2024-06-21 Michael Khayyat , Alessandro Zanardi , Stefano Arrigoni , Francesco Braghin

Bagging is an important technique for stabilizing machine learning models. In this paper, we derive a finite-sample guarantee on the stability of bagging for any model. Our result places no assumptions on the distribution of the data, on…

Machine Learning · Statistics 2024-04-26 Jake A. Soloff , Rina Foygel Barber , Rebecca Willett

To minimize the mean squared error (MSE) in global average treatment effect (GATE) estimation under network interference, a popular approach is to use a cluster-randomized design. However, in the presence of homophily, which is common in…

We show that, in many settings, the worst-case performance of a distributed optimization algorithm is independent of the number of agents in the system, and can thus be computed in the fundamental case with just two agents. This result…

Optimization and Control · Mathematics 2025-11-03 Sebastien Colla , Julien M. Hendrickx

We consider global non-convex optimisation problems under uncertainty. In this setting, it is not possible to implement a desired solution exactly. Instead, any other solution within some distance to the intended solution may be…

Optimization and Control · Mathematics 2020-03-24 Martin Hughes , Marc Goerigk , Trivikram Dokka

In this article a flexible Bayesian non-parametric model is proposed for non-homogeneous hidden Markov models. The model is developed through the amalgamation of the ideas of hidden Markov models and predictor dependent stick-breaking…

Methodology · Statistics 2012-05-10 Abhra Sarkar , Anindya Bhadra , Bani K. Mallick

Robust Markov decision processes (r-MDPs) extend MDPs by explicitly modelling epistemic uncertainty about transition dynamics. Learning r-MDPs from interactions with an unknown environment enables the synthesis of robust policies with…

Machine Learning · Computer Science 2025-11-21 Yannik Schnitzer , Alessandro Abate , David Parker

We tackle a fundamental problem in empirical game-theoretic analysis (EGTA), that of learning equilibria of simulation-based games. Such games cannot be described in analytical form; instead, a black-box simulator can be queried to obtain…

Computer Science and Game Theory · Computer Science 2019-06-03 Enrique Areyan Viqueira , Cyrus Cousins , Eli Upfal , Amy Greenwald

Despite empirical risk minimization (ERM) is widely applied in the machine learning community, its performance is limited on data with spurious correlation or subpopulation that is introduced by hidden attributes. Existing literature…

Machine Learning · Computer Science 2024-12-18 Hongyu Shen , Zhizhen Zhao

Policy gradient methods are among the most effective methods in challenging reinforcement learning problems with large state and/or action spaces. However, little is known about even their most basic theoretical convergence properties,…

Machine Learning · Computer Science 2020-10-16 Alekh Agarwal , Sham M. Kakade , Jason D. Lee , Gaurav Mahajan