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Related papers: Generative Pretraining for Black-Box Optimization

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The problem of computing category agnostic bounding box proposals is utilized as a core component in many computer vision tasks and thus has lately attracted a lot of attention. In this work we propose a new approach to tackle this problem…

Computer Vision and Pattern Recognition · Computer Science 2016-06-15 Spyros Gidaris , Nikos Komodakis

For Bayesian optimization (BO) on high-dimensional data with complex structure, neural network-based kernels for Gaussian processes (GPs) have been used to learn flexible surrogate functions by the high representation power of deep…

Machine Learning · Statistics 2021-11-02 Tomoharu Iwata

Bayesian Optimization (BO) is a well-established method for addressing black-box optimization problems. In many real-world scenarios, optimization often involves multiple functions, emphasizing the importance of leveraging data and learned…

Machine Learning · Computer Science 2025-03-11 Khoa Nguyen , Viet Huynh , Binh Tran , Tri Pham , Tin Huynh , Thin Nguyen

A body of work has been done to automate machine learning algorithm to highlight the importance of model choice. Automating the process of choosing the best forecasting model and its corresponding parameters can result to improve a wide…

Machine Learning · Computer Science 2021-09-02 Nadhir Hassen , Irina Rish

Gradient-based optimization is the foundation of deep learning and reinforcement learning. Even when the mechanism being optimized is unknown or not differentiable, optimization using high-variance or biased gradient estimates is still…

Machine Learning · Computer Science 2018-02-27 Will Grathwohl , Dami Choi , Yuhuai Wu , Geoffrey Roeder , David Duvenaud

Bayesian optimization (BO) has demonstrated potential for optimizing control performance in data-limited settings, especially for systems with unknown dynamics or unmodeled performance objectives. The BO algorithm efficiently trades-off…

Machine Learning · Computer Science 2022-11-02 Ankush Chakrabarty

We address the problem of training models with black-box and hard-to-optimize metrics by expressing the metric as a monotonic function of a small number of easy-to-optimize surrogates. We pose the training problem as an optimization over a…

Machine Learning · Computer Science 2020-02-21 Qijia Jiang , Olaoluwa Adigun , Harikrishna Narasimhan , Mahdi Milani Fard , Maya Gupta

Next token prediction is an attractive pre-training task for jet foundation models, in that it is simulation free and enables excellent generative capabilities that can transfer across datasets. Here we study multiple improvements to next…

High Energy Physics - Phenomenology · Physics 2025-12-05 Joschka Birk , Anna Hallin , Gregor Kasieczka , Nikol Madzharova , Ian Pang , David Shih

Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and…

Machine Learning · Computer Science 2023-11-03 Yiheng Zhu , Jialu Wu , Chaowen Hu , Jiahuan Yan , Chang-Yu Hsieh , Tingjun Hou , Jian Wu

We study offline model-based optimization to maximize a black-box objective function with a static dataset of designs and scores. These designs encompass a variety of domains, including materials, robots and DNA sequences. A common approach…

Computational Engineering, Finance, and Science · Computer Science 2023-10-11 Can Chen , Christopher Beckham , Zixuan Liu , Xue Liu , Christopher Pal

Bayesian optimization (BO) and its batch extensions are successful for optimizing expensive black-box functions. However, these traditional BO approaches are not yet ideal for optimizing less expensive functions when the computational cost…

Machine Learning · Computer Science 2018-11-06 Vu Nguyen , Sunil Gupta , Santu Rana , Cheng Li , Svetha Venkatesh

Motivated by the problem of tuning hyperparameters in machine learning, we present a new approach for gradually and adaptively optimizing an unknown function using estimated gradients. We validate the empirical performance of the proposed…

Machine Learning · Computer Science 2019-06-05 Weijia Shao , Christian Geißler , Fikret Sivrikaya

Bayesian optimization (BO) is a popular black-box function optimization method, which makes sequential decisions based on a Bayesian model, typically a Gaussian process (GP), of the function. To ensure the quality of the model, transfer…

Machine Learning · Computer Science 2024-02-15 Zhou Fan , Xinran Han , Zi Wang

Design and optimal control problems are among the fundamental, ubiquitous tasks we face in science and engineering. In both cases, we aim to represent and optimize an unknown (black-box) function that associates a performance/outcome to a…

Machine Learning · Computer Science 2021-10-27 Sifan Wang , Mohamed Aziz Bhouri , Paris Perdikaris

Bayesian optimization (BO) has become a popular strategy for global optimization of expensive real-world functions. Contrary to a common expectation that BO is suited to optimizing black-box functions, it actually requires domain knowledge…

Machine Learning · Computer Science 2024-08-06 Zi Wang , George E. Dahl , Kevin Swersky , Chansoo Lee , Zachary Nado , Justin Gilmer , Jasper Snoek , Zoubin Ghahramani

Real-world applications often involve domain-specific and task-based performance objectives that are not captured by the standard machine learning losses, but are critical for decision making. A key challenge for direct integration of more…

Machine Learning · Computer Science 2020-06-29 Di Chen , Yada Zhu , Xiaodong Cui , Carla P. Gomes

Existing subset selection methods for efficient learning predominantly employ discrete combinatorial and model-specific approaches which lack generalizability. For an unseen architecture, one cannot use the subset chosen for a different…

Machine Learning · Computer Science 2024-09-20 Eeshaan Jain , Tushar Nandy , Gaurav Aggarwal , Ashish Tendulkar , Rishabh Iyer , Abir De

Recent studies have shown that adversarial examples in state-of-the-art image classifiers trained by deep neural networks (DNN) can be easily generated when the target model is transparent to an attacker, known as the white-box setting.…

Computer Vision and Pattern Recognition · Computer Science 2020-02-03 Chun-Chen Tu , Paishun Ting , Pin-Yu Chen , Sijia Liu , Huan Zhang , Jinfeng Yi , Cho-Jui Hsieh , Shin-Ming Cheng

Effective trajectory generation is essential for reliable on-board spacecraft autonomy. Among other approaches, learning-based warm-starting represents an appealing paradigm for solving the trajectory generation problem, effectively…

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework…

Machine Learning · Computer Science 2023-06-09 Jonathan Wilder Lavington , Sharan Vaswani , Reza Babanezhad , Mark Schmidt , Nicolas Le Roux