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Many machine learning algorithms and classifiers are available only via API queries as a ``black-box'' -- that is, the downstream user has no ability to change, re-train, or fine-tune the model on a particular target distribution. Indeed,…

Machine Learning · Computer Science 2025-03-05 Siddartha Devic , Nurendra Choudhary , Anirudh Srinivasan , Sahika Genc , Branislav Kveton , Gaurush Hiranandani

Black-box quantum state preparation is a fundamental primitive in quantum algorithms. Starting from Grover, a series of techniques have been devised to reduce the complexity. In this work, we propose to perform black-box state preparation…

Advances in data collecting technologies in genomics have significantly increased the need for tools designed to study the genetic basis of many diseases. Effective statistical methods should excel in both prediction accuracy and biomarker…

Methodology · Statistics 2025-11-13 Anthony-Alexander Christidis , Stefan Van Aelst , Ruben Zamar

In this paper, a novel derivative-free pattern search based algorithm for Black-box optimization is proposed over a simplex constrained parameter space. At each iteration, starting from the current solution, new possible set of solutions…

Optimization and Control · Mathematics 2026-04-16 Priyam Das

We investigate the optimization of two probabilistic generative models with binary latent variables using a novel variational EM approach. The approach distinguishes itself from previous variational approaches by using latent states as…

Machine Learning · Statistics 2018-02-26 Jörg Lücke , Zhenwen Dai , Georgios Exarchakis

Protein sequence design is a challenging problem in protein engineering, which aims to discover novel proteins with useful biological functions. Directed evolution is a widely-used approach for protein sequence design, which mimics the…

Machine Learning · Computer Science 2023-03-21 Chuanjiao Zong

Sequence classification is an important data mining task in many real world applications. Over the past few decades, many sequence classification methods have been proposed from different aspects. In particular, the pattern-based method is…

Machine Learning · Computer Science 2020-12-15 Zengyou He , Guangyao Xu , Chaohua Sheng , Bo Xu , Quan Zou

Predictive models that are developed in a regulated industry or a regulated application, like determination of credit worthiness, must be interpretable and rational (e.g., meaningful improvements in basic credit behavior must result in…

Machine Learning · Statistics 2018-06-13 Bob Vanderheyden , Jennifer Priestley

Very recently, Hartline and Lucier studied single-parameter mechanism design problems in the Bayesian setting. They proposed a black-box reduction that converted Bayesian approximation algorithms into Bayesian-Incentive-Compatible (BIC)…

Computer Science and Game Theory · Computer Science 2010-12-17 Xiaohui Bei , Zhiyi Huang

Local optimization presents a promising approach to expensive, high-dimensional black-box optimization by sidestepping the need to globally explore the search space. For objective functions whose gradient cannot be evaluated directly,…

Machine Learning · Computer Science 2023-01-18 Quan Nguyen , Kaiwen Wu , Jacob R. Gardner , Roman Garnett

Optimizing high-dimensional and complex black-box functions is crucial in numerous scientific applications. While Bayesian optimization (BO) is a powerful method for sample-efficient optimization, it struggles with the curse of…

Machine Learning · Computer Science 2025-07-08 Taeyoung Yun , Kiyoung Om , Jaewoo Lee , Sujin Yun , Jinkyoo Park

Rule-based classification models described in the language of logic directly predict boolean values, rather than modeling a probability and translating it into a prediction as done in statistical models. The vast majority of existing…

Artificial Intelligence · Computer Science 2022-11-04 Yusik Kim

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris

Classification is an important task in many fields including biomedical research and machine learning. Traditionally, a classification rule is constructed based a bunch of labeled data. Recently, due to technological innovation and…

Methodology · Statistics 2014-06-19 Jing Wang , Eunsik Park , Yuan-chin Ivan Chang

Binomial data with unknown sizes often appear in biological and medical sciences. The previous methods either use the Poisson approximation or the quasi-likelihood approach. A full likelihood approach is proposed by treating unknown sizes…

Statistics Theory · Mathematics 2007-06-13 Wei Zhang

Simulation models of complex dynamics in the natural and social sciences commonly lack a tractable likelihood function, rendering traditional likelihood-based statistical inference impossible. Recent advances in machine learning have…

Machine Learning · Statistics 2022-02-24 Joel Dyer , Patrick Cannon , Sebastian M Schmon

De novo drug design requires simultaneously generating novel molecules outside of training data and predicting their target properties, making it a hard task for generative models. To address this, we propose Joint Transformer that combines…

Machine Learning · Computer Science 2023-12-05 Adam Izdebski , Ewelina Weglarz-Tomczak , Ewa Szczurek , Jakub M. Tomczak

The challenge of taking many variables into account in optimization problems may be overcome under the hypothesis of low effective dimensionality. Then, the search of solutions can be reduced to the random embedding of a low dimensional…

Optimization and Control · Mathematics 2018-10-23 Mickaël Binois , David Ginsbourger , Olivier Roustant

Likelihood-free methods perform parameter inference in stochastic simulator models where evaluating the likelihood is intractable but sampling synthetic data is possible. One class of methods for this likelihood-free problem uses a…

Machine Learning · Statistics 2020-12-21 Conor Durkan , Iain Murray , George Papamakarios

We consider Bayesian optimization of an expensive-to-evaluate black-box objective function, where we also have access to cheaper approximations of the objective. In general, such approximations arise in applications such as reinforcement…

Machine Learning · Statistics 2016-11-16 Matthias Poloczek , Jialei Wang , Peter I. Frazier