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Deep learning systems are known to exhibit implicit regularization (alt. implicit bias), favoring simple solutions instead of merely minimizing the loss function. In some cases, we can analytically derive the implicit regularization --…

Machine Learning · Statistics 2026-05-08 Joseph H. Rudoler , Kevin Tan , Giles Hooker , Konrad P. Kording

Performance analysis of first-order algorithms with inexact oracles has gained recent attention due to various emerging applications in which obtaining exact gradients is impossible or computationally expensive. Previous research has…

Optimization and Control · Mathematics 2025-10-15 Yin Liu , Sam Davanloo Tajbakhsh

We present an approach to identify concise equations from data using a shallow neural network approach. In contrast to ordinary black-box regression, this approach allows understanding functional relations and generalizing them from…

Machine Learning · Computer Science 2018-06-20 Subham S. Sahoo , Christoph H. Lampert , Georg Martius

Bayesian optimization (BO) is a model-based approach for gradient-free black-box function optimization. Typically, BO is powered by a Gaussian process (GP), whose algorithmic complexity is cubic in the number of evaluations. Hence, GP-based…

Machine Learning · Statistics 2017-12-11 Valerio Perrone , Rodolphe Jenatton , Matthias Seeger , Cedric Archambeau

Active learning strategies respond to the costly labelling task in a supervised classification by selecting the most useful unlabelled examples in training a predictive model. Many conventional active learning algorithms focus on refining…

Machine Learning · Computer Science 2014-08-12 Djallel Bouneffouf

Real-world applications involve various discrete optimization problems. Designing a specialized optimizer for each of these problems is challenging, typically requiring significant domain knowledge and human efforts. Hence, developing…

Neural and Evolutionary Computing · Computer Science 2024-05-30 Shengcai Liu , Zhiyuan Wang , Yew-Soon Ong , Xin Yao , Ke Tang

Bayesian optimization (BO) is a framework for global optimization of expensive-to-evaluate objective functions. Classical BO methods assume that the objective function is a black box. However, internal information about objective function…

Machine Learning · Computer Science 2022-01-04 Raul Astudillo , Peter I. Frazier

We present a new algorithm ASEBO for optimizing high-dimensional blackbox functions. ASEBO adapts to the geometry of the function and learns optimal sets of sensing directions, which are used to probe it, on-the-fly. It addresses the…

Optimization and Control · Mathematics 2019-06-06 Krzysztof Choromanski , Aldo Pacchiano , Jack Parker-Holder , Yunhao Tang

Fine-tuned large language models (LLMs) often exhibit overconfidence, particularly when trained on small datasets, resulting in poor calibration and inaccurate uncertainty estimates. Evidential Deep Learning (EDL), an uncertainty-aware…

Machine Learning · Computer Science 2025-02-12 Yawei Li , David Rügamer , Bernd Bischl , Mina Rezaei

Some real problems require the evaluation of expensive and noisy objective functions. Moreover, the analytical expression of these objective functions may be unknown. These functions are known as black-boxes, for example, estimating the…

Machine Learning · Statistics 2021-07-12 Lucia Asencio Martín , Eduardo C. Garrido-Merchán

The interpretation of the electrocardiogram (ECG) gives clinical information and helps in assessing heart function. There are distinct ECG patterns associated with a specific class of arrythmia. The convolutional neural network is currently…

Signal Processing · Electrical Eng. & Systems 2022-01-31 Zeineb Fki , Boudour Ammar , Mounir Ben Ayed

Black-Box Optimization (BBO) has found successful applications in many fields of science and engineering. Recently, there has been a growing interest in meta-learning particular components of BBO algorithms to speed up optimization and get…

Machine Learning · Computer Science 2024-11-04 Lei Song , Chenxiao Gao , Ke Xue , Chenyang Wu , Dong Li , Jianye Hao , Zongzhang Zhang , Chao Qian

Linear discriminant analysis (LDA) is a fundamental classification and dimension reduction method that achieves Bayes optimality under Gaussian mixture, but often struggles in high-dimensional settings where the covariance matrix cannot be…

Computation · Statistics 2026-04-06 Cencheng Shen , Yuexiao Dong

Evidential deep learning (EDL) models, based on Subjective Logic, introduce a principled and computationally efficient way to make deterministic neural networks uncertainty-aware. The resulting evidential models can quantify fine-grained…

Machine Learning · Computer Science 2026-01-01 Deep Shankar Pandey , Hyomin Choi , Qi Yu

Gradient descent can be surprisingly good at optimizing deep neural networks without overfitting and without explicit regularization. We find that the discrete steps of gradient descent implicitly regularize models by penalizing gradient…

Machine Learning · Computer Science 2022-07-20 David G. T. Barrett , Benoit Dherin

De novo molecular design attempts to search over the chemical space for molecules with the desired property. Recently, deep learning has gained considerable attention as a promising approach to solve the problem. In this paper, we propose…

Quantitative Methods · Quantitative Biology 2020-10-28 Sungsoo Ahn , Junsu Kim , Hankook Lee , Jinwoo Shin

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

Meta-Black-Box Optimization (MetaBBO) garners attention due to its success in automating the configuration and generation of black-box optimizers, significantly reducing the human effort required for optimizer design and discovering…

Machine Learning · Computer Science 2025-05-20 Jiyuan Pei , Yi Mei , Jialin Liu , Mengjie Zhang

First Order Bayesian Optimization (FOBO) is a sample efficient sequential approach to find the global maxima of an expensive-to-evaluate black-box objective function by suitably querying for the function and its gradient evaluations. Such…

Machine Learning · Computer Science 2023-06-21 Utkarsh Prakash , Aryan Chollera , Kushagra Khatwani , Prabuchandran K. J. , Tejas Bodas

Today's deep learning methods focus on how to design the most appropriate objective functions so that the prediction results of the model can be closest to the ground truth. Meanwhile, an appropriate architecture that can facilitate…

Computer Vision and Pattern Recognition · Computer Science 2024-03-01 Chien-Yao Wang , I-Hau Yeh , Hong-Yuan Mark Liao