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In high-dimensional classification problems, a commonly used approach is to first project the high-dimensional features into a lower dimensional space, and base the classification on the resulting lower dimensional projections. In this…

Statistics Theory · Mathematics 2025-08-05 Xin Bing , Marten Wegkamp

Autoregressive large language models (LLMs) compress knowledge from their training data through next-token conditional distributions. This limits tractable querying of this knowledge to start-to-end autoregressive sampling. However, many…

Machine Learning · Computer Science 2024-03-15 Edward J. Hu , Moksh Jain , Eric Elmoznino , Younesse Kaddar , Guillaume Lajoie , Yoshua Bengio , Nikolay Malkin

We present the first framework to solve linear inverse problems leveraging pre-trained latent diffusion models. Previously proposed algorithms (such as DPS and DDRM) only apply to pixel-space diffusion models. We theoretically analyze our…

Machine Learning · Computer Science 2023-07-04 Litu Rout , Negin Raoof , Giannis Daras , Constantine Caramanis , Alexandros G. Dimakis , Sanjay Shakkottai

Offline black-box optimization aims to discover novel designs with high property scores using only a static dataset, a task fundamentally challenged by the out-of-distribution (OOD) extrapolation problem. Existing approaches typically…

Machine Learning · Computer Science 2026-05-22 Yonghan Yang , Ye Yuan , Zipeng Sun , Linfeng Du , Bowei He , Haolun Wu , Can Chen , Xue Liu

Recent advances have shown that optimizing prompts for Large Language Models (LLMs) can significantly improve task performance, yet many optimization techniques rely on heuristics or manual exploration. We present LatentPrompt, a…

Computation and Language · Computer Science 2025-08-05 Mateusz Bystroński , Grzegorz Piotrowski , Nitesh V. Chawla , Tomasz Kajdanowicz

We propose a novel method for gradient-based optimization of black-box simulators using differentiable local surrogate models. In fields such as physics and engineering, many processes are modeled with non-differentiable simulators with…

Machine Learning · Computer Science 2020-09-30 Sergey Shirobokov , Vladislav Belavin , Michael Kagan , Andrey Ustyuzhanin , Atılım Güneş Baydin

Offline black-box optimization aims to maximize a black-box function using an offline dataset of designs and their measured properties. Two main approaches have emerged: the forward approach, which learns a mapping from input to its value,…

Machine Learning · Computer Science 2025-01-03 Can Sam Chen , Christopher Beckham , Zixuan Liu , Xue Liu , Christopher Pal

Given a reference model that includes all the available variables, projection predictive inference replaces its posterior with a constrained projection including only a subset of all variables. We extend projection predictive inference to…

Computation · Statistics 2021-09-13 Alejandro Catalina , Paul Bürkner , Aki Vehtari

Consider a problem where a set of feasible observations are provided by an expert and a cost function is defined that characterizes which of the observations dominate the others and are hence, preferred. Our goal is to find a set of linear…

Optimization and Control · Mathematics 2020-09-14 Kimia Ghobadi , Houra Mahmoudzadeh

Optimizing the noise samples of diffusion and flow models is an increasingly popular approach to align these models to target rewards at inference time. However, we observe that these approaches are usually restricted to differentiable or…

Machine Learning · Computer Science 2026-03-17 Niklas Schweiger , Daniel Cremers , Karnik Ram

Posterior sampling in high-dimensional spaces using generative models holds significant promise for various applications, including but not limited to inverse problems and guided generation tasks. Despite many recent developments,…

Machine Learning · Statistics 2024-10-04 Vishal Purohit , Matthew Repasky , Jianfeng Lu , Qiang Qiu , Yao Xie , Xiuyuan Cheng

Model selection is an integral problem of model based optimization techniques such as Bayesian optimization (BO). Current approaches often treat model selection as an estimation problem, to be periodically updated with observations coming…

Machine Learning · Computer Science 2023-08-02 Manisha Senadeera , Santu Rana , Sunil Gupta , Svetha Venkatesh

Black-box prompt tuning employs derivative-free optimization algorithms to learn prompts within low-dimensional subspaces rather than back-propagating through the network of Large Language Models (LLMs). Recent studies reveal that black-box…

Computation and Language · Computer Science 2024-06-18 Yuanhang Zheng , Zhixing Tan , Peng Li , Yang Liu

How can we perform efficient inference and learning in directed probabilistic models, in the presence of continuous latent variables with intractable posterior distributions, and large datasets? We introduce a stochastic variational…

Machine Learning · Statistics 2022-12-13 Diederik P Kingma , Max Welling

Black-box global optimization aims at minimizing an objective function whose analytical form is not known. To do so, many state-of-the-art methods rely on sampling-based strategies, where sampling distributions are built in an iterative…

Optimization and Control · Mathematics 2024-09-30 Thomas Guilmeau , Emilie Chouzenoux , Víctor Elvira

Diffusion models have demonstrated significant promise in various generative tasks; however, they often struggle to satisfy challenging constraints. Our approach addresses this limitation by rethinking training-free loss-guided diffusion…

Machine Learning · Computer Science 2024-11-19 William Huang , Yifeng Jiang , Tom Van Wouwe , C. Karen Liu

Flow matching is a recent framework to train generative models that exhibits impressive empirical performance while being relatively easier to train compared with diffusion-based models. Despite its advantageous properties, prior methods…

Computer Vision and Pattern Recognition · Computer Science 2023-07-18 Quan Dao , Hao Phung , Binh Nguyen , Anh Tran

Several scenarios require the optimization of non-convex black-box functions, that are noisy expensive to evaluate functions with unknown analytical expression, whose gradients are hence not accessible. For example, the hyper-parameter…

Machine Learning · Computer Science 2025-02-12 Eduardo C. Garrido-Merchán

Diffusion and flow-matching have emerged as powerful methodologies for generative modeling, with remarkable success in capturing complex data distributions and enabling flexible guidance at inference time. Many downstream applications,…

Machine Learning · Computer Science 2026-04-28 Zeyang Li , Kaveh Alim , Navid Azizan

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