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This paper proposes a novel parameter selection strategy for kernel-based gradient descent (KGD) algorithms, integrating bias-variance analysis with the splitting method. We introduce the concept of empirical effective dimension to quantify…

Machine Learning · Statistics 2026-03-05 Xiaotong Liu , Yunwen Lei , Xiangyu Chang , Shao-Bo Lin

Along with Markov chain Monte Carlo (MCMC) methods, variational inference (VI) has emerged as a central computational approach to large-scale Bayesian inference. Rather than sampling from the true posterior $\pi$, VI aims at producing a…

Machine Learning · Statistics 2023-04-24 Marc Lambert , Sinho Chewi , Francis Bach , Silvère Bonnabel , Philippe Rigollet

Bandit based optimisation has a remarkable advantage over gradient based approaches due to their global perspective, which eliminates the danger of getting stuck at local optima. However, for continuous optimisation problems or problems…

Artificial Intelligence · Computer Science 2017-05-30 Ole-Christoffer Granmo

Variational inference (VI) is a widely used framework in Bayesian estimation. For most of the non-Gaussian statistical models, it is infeasible to find an analytically tractable solution to estimate the posterior distributions of the…

Machine Learning · Statistics 2020-01-31 Zhanyu Ma , Jalil Taghia , Jun Guo

Multilevel optimization has gained renewed interest in machine learning due to its promise in applications such as hyperparameter tuning and continual learning. However, existing methods struggle with the inherent difficulty of efficiently…

Machine Learning · Computer Science 2024-10-16 Yuntian Gu , Xuzheng Chen

Many real-world tasks require optimizing expensive black-box functions accessible only through noisy evaluations, a setting commonly addressed with Bayesian optimization (BO). While Bayesian neural networks (BNNs) have recently emerged as…

Machine Learning · Computer Science 2026-01-14 Farhad Mirkarimi

Semi-implicit variational inference (SIVI) enhances the expressiveness of variational families through hierarchical semi-implicit distributions, but the intractability of their densities makes standard ELBO-based optimization biased. Recent…

Machine Learning · Statistics 2026-01-21 Longlin Yu , Ziheng Cheng , Shiyue Zhang , Cheng Zhang

Molecular discovery has brought great benefits to the chemical industry. Various molecule design techniques are developed to identify molecules with desirable properties. Traditional optimization methods, such as genetic algorithms,…

Biomolecules · Quantitative Biology 2025-11-05 Chris Zhuang , Debadyuti Mukherjee , Yingzhou Lu , Tianfan Fu , Ruqi Zhang

Computer models play a crucial role in numerous scientific and engineering domains. To ensure the accuracy of simulations, it is essential to properly calibrate the input parameters of these models through statistical inference. While…

Applications · Statistics 2024-03-07 Dongkyu Derek Cho , Won Chang , Jaewoo Park

Bilevel optimization has been developed for many machine learning tasks with large-scale and high-dimensional data. This paper considers a constrained bilevel optimization problem, where the lower-level optimization problem is convex with…

Machine Learning · Computer Science 2023-08-22 Siyuan Xu , Minghui Zhu

This paper considers stochastic optimization problems for a large class of objective functions, including convex and continuous submodular. Stochastic proximal gradient methods have been widely used to solve such problems; however, their…

Optimization and Control · Mathematics 2018-11-13 Aryan Mokhtari , Hamed Hassani , Amin Karbasi

Evolutionary algorithms (EAs) are the preferred method for solving black-box multi-objective optimization problems, but when gradients of the objective functions are available, it is not straightforward to exploit these efficiently. By…

Optimization and Control · Mathematics 2021-02-23 Timo M. Deist , Stefanus C. Maree , Tanja Alderliesten , Peter A. N. Bosman

Variational Autoencoders (VAEs) are expressive latent variable models that can be used to learn complex probability distributions from training data. However, the quality of the resulting model crucially relies on the expressiveness of the…

Machine Learning · Computer Science 2018-06-12 Lars Mescheder , Sebastian Nowozin , Andreas Geiger

A reward-guided, gradient-free ParVI method, \textit{R-ParVI}, is proposed for sampling partially known densities (e.g. up to a constant). R-ParVI formulates the sampling problem as particle flow driven by rewards: particles are drawn from…

Artificial Intelligence · Computer Science 2025-03-03 Yongchao Huang

Inference models are a key component in scaling variational inference to deep latent variable models, most notably as encoder networks in variational auto-encoders (VAEs). By replacing conventional optimization-based inference with a…

Machine Learning · Computer Science 2018-07-26 Joseph Marino , Yisong Yue , Stephan Mandt

The recognition network in deep latent variable models such as variational autoencoders (VAEs) relies on amortized inference for efficient posterior approximation that can scale up to large datasets. However, this technique has also been…

Machine Learning · Statistics 2019-02-28 Rui Shu , Hung H. Bui , Jay Whang , Stefano Ermon

We develop a fast and accurate grouped penalized credible region approach for variable selection and prediction in Bayesian high-dimensional linear regression. Most existing Bayesian methods either are subject to high computational costs…

Methodology · Statistics 2026-01-26 Weichang Yu , Khue-Dung Dang

The vast majority of uncertainty quantification methods for deep object detectors such as variational inference are based on the network output. Here, we study gradient-based epistemic uncertainty metrics for deep object detectors to obtain…

Computer Vision and Pattern Recognition · Computer Science 2022-03-21 Tobias Riedlinger , Matthias Rottmann , Marius Schubert , Hanno Gottschalk

Bayesian causal discovery aims to infer the posterior distribution over causal models from observed data, quantifying epistemic uncertainty and benefiting downstream tasks. However, computational challenges arise due to joint inference over…

Machine Learning · Computer Science 2023-12-11 Yashas Annadani , Nick Pawlowski , Joel Jennings , Stefan Bauer , Cheng Zhang , Wenbo Gong

In this paper, we study the finite-sum convex optimization problem focusing on the general convex case. Recently, the study of variance reduced (VR) methods and their accelerated variants has made exciting progress. However, the step size…

Optimization and Control · Mathematics 2022-01-31 Zijian Liu , Ta Duy Nguyen , Alina Ene , Huy L. Nguyen