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In this work, we focus on the alignment problem of diffusion models with a continuous reward function, which represents specific objectives for downstream tasks, such as increasing darkness or improving the aesthetics of images. The central…

Machine Learning · Computer Science 2024-10-03 Zhiwei Tang , Jiangweizhi Peng , Jiasheng Tang , Mingyi Hong , Fan Wang , Tsung-Hui Chang

Solving high-dimensional Bayesian inverse problems (BIPs) with the variational inference (VI) method is promising but still challenging. The main difficulties arise from two aspects. First, VI methods approximate the posterior distribution…

Numerical Analysis · Mathematics 2023-02-23 Yingzhi Xia , Qifeng Liao , Jinglai Li

Deep learning model effectiveness in classification tasks is often challenged by the quality and quantity of training data whenever they are affected by strong spurious correlations between specific attributes and target labels. This…

This tutorial provides an in-depth guide on inference-time guidance and alignment methods for optimizing downstream reward functions in diffusion models. While diffusion models are renowned for their generative modeling capabilities,…

Artificial Intelligence · Computer Science 2025-01-22 Masatoshi Uehara , Yulai Zhao , Chenyu Wang , Xiner Li , Aviv Regev , Sergey Levine , Tommaso Biancalani

Machine learning has demonstrated remarkable promise for solving the trajectory generation problem and in paving the way for online use of trajectory optimization for resource-constrained spacecraft. However, a key shortcoming in current…

Robotics · Computer Science 2025-01-03 Julia Briden , Breanna Johnson , Richard Linares , Abhishek Cauligi

We propose a novel Bayesian optimization (BO) procedure aimed at identifying the ``profile optima'' of a deterministic black-box computer simulation that has a single control parameter and multiple nuisance parameters. The profile optima…

Methodology · Statistics 2025-12-30 Courtney Kyger , James Fernandez , John A. Grunenwald , James Braun , Annie Booth

Diffusion models have recently emerged as powerful generative priors for solving inverse problems. However, training diffusion models in the pixel space are both data-intensive and computationally demanding, which restricts their…

Computer Vision and Pattern Recognition · Computer Science 2024-04-17 Bowen Song , Soo Min Kwon , Zecheng Zhang , Xinyu Hu , Qing Qu , Liyue Shen

This paper presents an evolvable conditional diffusion method such that black-box, non-differentiable multi-physics models, as are common in domains like computational fluid dynamics and electromagnetics, can be effectively used for guiding…

Machine Learning · Computer Science 2025-06-18 Zhao Wei , Chin Chun Ooi , Abhishek Gupta , Jian Cheng Wong , Pao-Hsiung Chiu , Sheares Xue Wen Toh , Yew-Soon Ong

We introduce a novel alignment method for diffusion models from distribution optimization perspectives while providing rigorous convergence guarantees. We first formulate the problem as a generic regularized loss minimization over…

Machine Learning · Computer Science 2025-03-07 Ryotaro Kawata , Kazusato Oko , Atsushi Nitanda , Taiji Suzuki

Discrete diffusion models have emerged as a powerful generative modeling framework for discrete data with successful applications spanning from text generation to image synthesis. However, their deployment faces challenges due to the high…

Machine Learning · Computer Science 2025-12-01 Yinuo Ren , Haoxuan Chen , Yuchen Zhu , Wei Guo , Yongxin Chen , Grant M. Rotskoff , Molei Tao , Lexing Ying

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

Bayesian optimization (BO) is an efficient framework for solving black-box optimization problems with expensive function evaluations. This paper addresses the BO problem setting for combinatorial spaces (e.g., sequences and graphs) that…

Machine Learning · Computer Science 2022-02-07 Aryan Deshwal , Syrine Belakaria , Janardhan Rao Doppa

Denoising diffusion models represent a recent emerging topic in computer vision, demonstrating remarkable results in the area of generative modeling. A diffusion model is a deep generative model that is based on two stages, a forward…

Computer Vision and Pattern Recognition · Computer Science 2025-01-17 Florinel-Alin Croitoru , Vlad Hondru , Radu Tudor Ionescu , Mubarak Shah

Predicting potential outcomes of interventions from observational data is crucial for decision-making in medicine, but the task is challenging due to the fundamental problem of causal inference. Existing methods are largely limited to point…

Machine Learning · Computer Science 2024-10-14 Yuchen Ma , Valentyn Melnychuk , Jonas Schweisthal , Stefan Feuerriegel

Generative models have recently undergone significant advancement due to the diffusion models. The success of these models can be often attributed to their use of guidance techniques, such as classifier or classifier-free guidance, which…

Computer Vision and Pattern Recognition · Computer Science 2023-01-31 Gyeongnyeon Kim , Wooseok Jang , Gyuseong Lee , Susung Hong , Junyoung Seo , Seungryong Kim

Computational models in fields such as computational neuroscience are often evaluated via stochastic simulation or numerical approximation. Fitting these models implies a difficult optimization problem over complex, possibly noisy parameter…

Machine Learning · Statistics 2017-11-03 Luigi Acerbi , Wei Ji Ma

Diffusion models produce high quality images but inference is costly due to many denoising steps and heavy matrix operations. We present DiffPro, a post-training, hardware-faithful framework that works with the exact integer kernels used in…

Machine Learning · Computer Science 2025-11-17 Farhana Amin , Sabiha Afroz , Kanchon Gharami , Mona Moghadampanah , Dimitrios S. Nikolopoulos

Black-box optimization (BBO) has become increasingly relevant for tackling complex decision-making problems, especially in public policy domains such as police redistricting. However, its broader application in public policymaking is…

Machine Learning · Statistics 2025-01-23 Wenqian Xing , JungHo Lee , Chong Liu , Shixiang Zhu

In recent years, denoising problems have become intertwined with the development of deep generative models. In particular, diffusion models are trained like denoisers, and the distribution they model coincide with denoising priors in the…

Bayesian optimization is widely employed for optimizing complex black-box functions but struggles with the curse of dimensionality. Random embedding, as a dimension reduction strategy, simplifies tasks that possess the effective dimension…

Machine Learning · Computer Science 2026-05-26 Hong Qian , Xiang Shu , Xiang Xia , Xuhui Liu , Yangde Fu , Bei Liang , Huibin Wang , Liang Dou