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Black-box optimization (BBO) is used in materials design, drug discovery, and hyperparameter tuning in machine learning. The world is experiencing several of these problems. In this review, a factorization machine with quantum annealing or…

Statistical Mechanics · Physics 2026-04-30 Ryo Tamura , Yuya Seki , Yuki Minamoto , Koki Kitai , Yoshiki Matsuda , Shu Tanaka , Koji Tsuda

Bayesian optimization (BO) is an efficient method for optimizing expensive black-box functions. In real-world applications, BO often faces a major problem of missing values in inputs. The missing inputs can happen in two cases. First, the…

Machine Learning · Computer Science 2020-06-22 Phuc Luong , Dang Nguyen , Sunil Gupta , Santu Rana , Svetha Venkatesh

Physics-informed neural networks (PINNs) provide a means of obtaining approximate solutions of partial differential equations and systems through the minimisation of an objective function which includes the evaluation of a residual function…

Machine Learning · Computer Science 2024-10-08 Jose Florido , He Wang , Amirul Khan , Peter K. Jimack

Bayesian optimization (BO) is a popular approach for expensive black-box optimization, with applications including parameter tuning, experimental design, robotics. BO usually models the objective function by a Gaussian process (GP), and…

Machine Learning · Statistics 2020-01-22 Chao Qian , Hang Xiong , Ke Xue

Accurately simulating systems governed by PDEs, such as voltage fields in cardiac electrophysiology (EP) modelling, remains a significant modelling challenge. Traditional numerical solvers are computationally expensive and sensitive to…

Machine Learning · Computer Science 2026-04-22 Hannah Lydon , Milad Kazemi , Martin Bishop , Nicola Paoletti

In edge computing, suppressing data size is a challenge for machine learning models that perform complex tasks such as autonomous driving, in which computational resources (speed, memory size and power) are limited. Efficient lossy…

Machine Learning · Computer Science 2022-09-28 Tadashi Kadowaki , Mitsuru Ambai

Physics-Informed Neural Networks (PINNs) have emerged as a promising approach for solving Partial Differential Equations (PDEs) by incorporating physical constraints into deep learning models. However, standard PINNs often require a large…

Machine Learning · Computer Science 2025-05-05 Keon Vin Park

Real-world problems often involve the optimization of several objectives under multiple constraints. An example is the hyper-parameter tuning problem of machine learning algorithms. In particular, the minimization of the estimation of the…

Machine Learning · Statistics 2021-07-02 Eduardo C. Garrido-Merchán , Daniel Hernández-Lobato

Physics-informed neural networks (PINNs) have emerged as a new learning paradigm for solving partial differential equations (PDEs) by enforcing the constraints of physical equations, boundary conditions (BCs), and initial conditions (ICs)…

Machine Learning · Computer Science 2025-05-21 Chenhong Zhou , Jie Chen , Zaifeng Yang , Ching Eng Png

Bayesian Optimization (BO) is a powerful framework for optimizing noisy, expensive-to-evaluate black-box functions. When the objective exhibits invariances under a group action, exploiting these symmetries can substantially improve BO…

Machine Learning · Statistics 2025-09-30 Anthony Bardou , Antoine Gonon , Aryan Ahadinia , Patrick Thiran

A physics-informed neural network (PINN) uses physics-augmented loss functions, e.g., incorporating the residual term from governing partial differential equations (PDEs), to ensure its output is consistent with fundamental physics laws.…

Machine Learning · Computer Science 2022-12-16 Jian Cheng Wong , Chinchun Ooi , Abhishek Gupta , Yew-Soon Ong

Physics-informed Neural Networks (PINNs) have been shown as a promising approach for solving both forward and inverse problems of partial differential equations (PDEs). Meanwhile, the neural operator approach, including methods such as Deep…

Machine Learning · Computer Science 2023-10-31 Bin Lin , Zhiping Mao , Zhicheng Wang , George Em Karniadakis

A significant advancement in Neural Network (NN) research is the integration of domain-specific knowledge through custom loss functions. This approach addresses a crucial challenge: how can models utilize physics or mathematical principles…

Machine Learning · Computer Science 2025-03-27 Seyedeh Azadeh Fallah Mortezanejad , Ruochen Wang , Ali Mohammad-Djafari

Bayesian optimization (BO) is a widely-used sequential method for zeroth-order optimization of complex and expensive-to-compute black-box functions. The existing BO methods assume that the function evaluation (feedback) is available to the…

Machine Learning · Computer Science 2022-06-22 Arun Verma , Zhongxiang Dai , Bryan Kian Hsiang Low

Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to…

Machine Learning · Computer Science 2023-05-04 Natalie Maus , Kaiwen Wu , David Eriksson , Jacob Gardner

A black-box optimization algorithm such as Bayesian optimization finds extremum of an unknown function by alternating inference of the underlying function and optimization of an acquisition function. In a high-dimensional space, such…

Quantum Physics · Physics 2021-05-03 Syun Izawa , Koki Kitai , Shu Tanaka , Ryo Tamura , Koji Tsuda

Bayesian Optimization (BO) is a widely-used method for optimizing expensive-to-evaluate black-box functions. Traditional BO assumes that the learner has full control over all query variables without additional constraints. However, in many…

Machine Learning · Computer Science 2024-12-23 Vu Viet Hoang , Quoc Anh Hoang Nguyen , Hung Tran The

Combining machine learning with physics is a trending approach for discovering unknown dynamics, and one of the most intensively studied frameworks is the physics-informed neural network (PINN). However, PINN often fails to optimize the…

Machine Learning · Computer Science 2023-11-29 Yuichi Kajiura , Jorge Espin , Dong Zhang

Bayesian optimisation (BO) uses probabilistic surrogate models - usually Gaussian processes (GPs) - for the optimisation of expensive black-box functions. At each BO iteration, the GP hyperparameters are fit to previously-evaluated data by…

Machine Learning · Computer Science 2021-05-04 George De Ath , Richard Everson , Jonathan Fieldsend

Deep learning has achieved remarkable success in diverse applications; however, its use in solving partial differential equations (PDEs) has emerged only recently. Here, we present an overview of physics-informed neural networks (PINNs),…

Machine Learning · Computer Science 2021-11-03 Lu Lu , Xuhui Meng , Zhiping Mao , George E. Karniadakis
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