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Geoopt is a research-oriented modular open-source package for Riemannian Optimization in PyTorch. The core of Geoopt is a standard Manifold interface that allows for the generic implementation of optimization algorithms. Geoopt supports…

Computational Geometry · Computer Science 2020-07-20 Max Kochurov , Rasul Karimov , Serge Kozlukov

We present the first general purpose framework for marginal maximum a posteriori estimation of probabilistic program variables. By using a series of code transformations, the evidence of any probabilistic program, and therefore of any…

Machine Learning · Statistics 2017-07-17 Tom Rainforth , Tuan Anh Le , Jan-Willem van de Meent , Michael A. Osborne , Frank Wood

In practice, objective functions of real-time control systems can have multiple local minimums or can dramatically change over the function space, making them hard to optimize. To efficiently optimize such systems, in this paper, we develop…

Optimization and Control · Mathematics 2022-01-26 Haowei Wang , Songhao Wang , Qun Meng , Szu Hui Ng

This paper introduces the design and implementation of PyOptInterface, a modeling language for mathematical optimization embedded in Python programming language. PyOptInterface uses lightweight and compact data structure to bridge…

Mathematical Software · Computer Science 2024-05-17 Yue Yang , Chenhui Lin , Luo Xu , Wenchuan Wu

Recent advances in derivative-free optimization allow efficient approximation of the global-optimal solutions of sophisticated functions, such as functions with many local optima, non-differentiable and non-continuous functions. This…

Machine Learning · Computer Science 2022-09-28 Yu-Ren Liu , Yi-Qi Hu , Hong Qian , Chao Qian , Yang Yu

We focus on collaborative and federated black-box optimization (BBOpt), where agents optimize their heterogeneous black-box functions through collaborative sequential experimentation. From a Bayesian optimization perspective, we address the…

Machine Learning · Computer Science 2025-08-25 Raed Al Kontar

QuOp_MPI is a Python package designed for parallel simulation of quantum variational algorithms. It presents an object-orientated approach to quantum variational algorithm design and utilises MPI-parallelised sparse-matrix exponentiation,…

Quantum Physics · Physics 2022-06-08 Edric Matwiejew , Jingbo B. Wang

Significant effort has been made to solve computationally expensive optimization problems in the past two decades, and various optimization methods incorporating surrogates into optimization have been proposed. However, most optimization…

Neural and Evolutionary Computing · Computer Science 2022-04-13 Julian Blank , Kalyanmoy Deb

We present GLASSES: Global optimisation with Look-Ahead through Stochastic Simulation and Expected-loss Search. The majority of global optimisation approaches in use are myopic, in only considering the impact of the next function value; the…

Machine Learning · Statistics 2015-10-22 Javier González , Michael Osborne , Neil D. Lawrence

The optimisation of fed-batch (bio)chemical process recipes is subject to inherent, underlying, and unmeasurable fluctuations across batches, whose trajectories are difficult to model and costly to measure. Bayesian Optimisation (BayesOpt)…

Batch Bayesian optimisation (BO) has been successfully applied to hyperparameter tuning using parallel computing, but it is wasteful of resources: workers that complete jobs ahead of others are left idle. We address this problem by…

Machine Learning · Statistics 2019-05-29 Ahsan S. Alvi , Binxin Ru , Jan Calliess , Stephen J. Roberts , Michael A. Osborne

Recent years have witnessed the booming of various differentiable optimization algorithms. These algorithms exhibit different execution patterns, and their execution needs massive computational resources that go beyond a single CPU and GPU.…

Mathematical Software · Computer Science 2022-11-15 Jie Ren , Xidong Feng , Bo Liu , Xuehai Pan , Yao Fu , Luo Mai , Yaodong Yang

We developed a parallel Bayesian optimization algorithm for large eddy simulations. These simulations challenge optimization methods because they take hours or days to compute, and their objective function contains noise as turbulent…

Fluid Dynamics · Physics 2014-11-04 Chaitanya Talnikar , Patrick Blonigan , Julien Bodart , Qiqi Wang

PHYSBO (optimization tools for PHYSics based on Bayesian Optimization) is a Python library for fast and scalable Bayesian optimization. It has been developed mainly for application in the basic sciences such as physics and materials…

Computational Physics · Physics 2022-05-26 Yuichi Motoyama , Ryo Tamura , Kazuyoshi Yoshimi , Kei Terayama , Tsuyoshi Ueno , Koji Tsuda

Extending Bayesian optimization to batch evaluation can enable the designer to make the most use of parallel computing technology. However, most of current batch approaches do not scale well with the batch size. That is, their performances…

Machine Learning · Computer Science 2025-04-25 Dawei Zhan , Zhaoxi Zeng , Shuoxiao Wei , Ping Wu

The ParaOpt algorithm was recently introduced as a time-parallel solver for optimal-control problems with a terminal-cost objective, and convergence results have been presented for the linear diffusive case with implicit-Euler time…

Numerical Analysis · Mathematics 2023-05-09 Arne Bouillon , Giovanni Samaey , Karl Meerbergen

Ensuring safety is a key aspect in sequential decision making problems, such as robotics or process control. The complexity of the underlying systems often makes finding the optimal decision challenging, especially when the safety-critical…

Machine Learning · Computer Science 2024-09-27 Jialin Li , Marta Zagorowska , Giulia De Pasquale , Alisa Rupenyan , John Lygeros

This article focuses on the multi-objective optimization of stochastic simulators with high output variance, where the input space is finite and the objective functions are expensive to evaluate. We rely on Bayesian optimization algorithms,…

Optimization and Control · Mathematics 2022-07-21 Bruno Barracosa , Julien Bect , Héloïse Dutrieux Baraffe , Juliette Morin , Josselin Fournel , Emmanuel Vazquez

Optimization over the embedded submanifold defined by constraints $c(x) = 0$ has attracted much interest over the past few decades due to its wide applications in various areas. Plenty of related optimization packages have been developed…

Optimization and Control · Mathematics 2024-10-15 Nachuan Xiao , Xiaoyin Hu , Xin Liu , Kim-Chuan Toh

PYROBOCOP is a Python-based package for control, optimization and estimation of robotic systems described by nonlinear Differential Algebraic Equations (DAEs). In particular, the package can handle systems with contacts that are described…

Robotics · Computer Science 2022-03-21 Arvind Raghunathan , Devesh K. Jha , Diego Romeres