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Diffusion Probabilistic Models stand as a critical tool in generative modelling, enabling the generation of complex data distributions. This family of generative models yields record-breaking performance in tasks such as image synthesis,…

Addressing real-world optimization problems becomes particularly challenging when analytic objective functions or constraints are unavailable. While numerous studies have addressed the issue of unknown objectives, limited research has…

Molecular optimization (MO) is a crucial stage in drug discovery in which task-oriented generated molecules are optimized to meet practical industrial requirements. Existing mainstream MO approaches primarily utilize external property…

Machine Learning · Computer Science 2025-12-17 Yida Xiong , Kun Li , Jiameng Chen , Hongzhi Zhang , Di Lin , Yan Che , Wenbin Hu

Diffusion models have become fundamental tools for modeling data distributions in machine learning. Despite their success, these models face challenges when generating data with extreme brightness values, as evidenced by limitations…

Machine Learning · Statistics 2026-04-10 Takuro Kutsuna

Diffusion models are promising for joint trajectory prediction and controllable generation in autonomous driving, but they face challenges of inefficient inference steps and high computational demands. To tackle these challenges, we…

Computer Vision and Pattern Recognition · Computer Science 2024-08-02 Yixiao Wang , Chen Tang , Lingfeng Sun , Simone Rossi , Yichen Xie , Chensheng Peng , Thomas Hannagan , Stefano Sabatini , Nicola Poerio , Masayoshi Tomizuka , Wei Zhan

We consider the problem of distributionally robust multimodal machine learning. Existing approaches often rely on merging modalities on the feature level (early fusion) or heuristic uncertainty modeling, which downplays modality-aware…

Machine Learning · Computer Science 2025-11-11 Peilin Yang , Yu Ma

Diffusion models have shown promising capabilities in trajectory generation for planning in offline reinforcement learning (RL). However, conventional diffusion-based planning methods often fail to account for the fact that generating…

Artificial Intelligence · Computer Science 2026-02-25 Hanping Zhang , Yuhong Guo

Diffusion models have achieved remarkable progress in the field of image generation due to their outstanding capabilities. However, these models require substantial computing resources because of the multi-step denoising process during…

Computer Vision and Pattern Recognition · Computer Science 2024-10-23 Haowei Zhu , Dehua Tang , Ji Liu , Mingjie Lu , Jintu Zheng , Jinzhang Peng , Dong Li , Yu Wang , Fan Jiang , Lu Tian , Spandan Tiwari , Ashish Sirasao , Jun-Hai Yong , Bin Wang , Emad Barsoum

By framing reinforcement learning as a sequence modeling problem, recent work has enabled the use of generative models, such as diffusion models, for planning. While these models are effective in predicting long-horizon state trajectories…

Optimizing complex systems, from discovering therapeutic drugs to designing high-performance materials, remains a fundamental challenge across science and engineering, as the underlying rules are often unknown and costly to evaluate.…

Machine Learning · Computer Science 2026-01-13 Tailin Zhou , Zhilin Chen , Wenlong Lyu , Zhitang Chen , Danny H. K. Tsang , Jun Zhang

Conditional diffusion models have achieved remarkable success in various generative tasks recently, but their training typically relies on large-scale datasets that inevitably contain imprecise information in conditional inputs. Such…

Machine Learning · Computer Science 2025-10-13 Dong-Dong Wu , Jiacheng Cui , Wei Wang , Zhiqiang Shen , Masashi Sugiyama

Text-to-image diffusion model alignment is critical for improving the alignment between the generated images and human preferences. While training-based methods are constrained by high computational costs and dataset requirements,…

Computer Vision and Pattern Recognition · Computer Science 2025-03-26 Xin Xie , Dong Gong

Combinatorial Optimization (CO) problems are fundamentally important in numerous real-world applications across diverse industries, characterized by entailing enormous solution space and demanding time-sensitive response. Despite recent…

Artificial Intelligence · Computer Science 2025-06-10 Hang Zhao , Kexiong Yu , Yuhang Huang , Renjiao Yi , Chenyang Zhu , Kai Xu

Diffusion models have recently emerged as a powerful framework for generative modeling. They consist of a forward process that perturbs input data with Gaussian white noise and a reverse process that learns a score function to generate…

Transformer-based diffusion models have demonstrated remarkable performance at generating high-quality samples. However, our theoretical understanding of the reasons for this success remains limited. For instance, existing models are…

Machine Learning · Computer Science 2026-04-14 Hongkang Li , Hancheng Min , Rene Vidal

Flow-based generative models, including diffusion models, excel at modeling continuous distributions in high-dimensional spaces. In this work, we introduce Flow Policy Optimization (FPO), a simple on-policy reinforcement learning algorithm…

Machine Learning · Computer Science 2025-08-04 David McAllister , Songwei Ge , Brent Yi , Chung Min Kim , Ethan Weber , Hongsuk Choi , Haiwen Feng , Angjoo Kanazawa

Generative diffusion models, famous for their performance in image generation, are popular in various cross-domain applications. However, their use in the communication community has been mostly limited to auxiliary tasks like data modeling…

Networking and Internet Architecture · Computer Science 2025-03-11 Ruihuai Liang , Bo Yang , Zhiwen Yu , Bin Guo , Xuelin Cao , Mérouane Debbah , H. Vincent Poor , Chau Yuen

We present a concise, self-contained derivation of diffusion-based generative models. Starting from basic properties of Gaussian distributions (densities, quadratic expectations, re-parameterisation, products, and KL divergences), we…

Machine Learning · Computer Science 2025-11-18 Sepehr Maleki , Negar Pourmoazemi

Diffusion models have recently demonstrated notable success in solving inverse problems. However, current diffusion model-based solutions typically require a large number of function evaluations (NFEs) to generate high-quality images…

Computer Vision and Pattern Recognition · Computer Science 2024-12-06 Tianyu Chen , Zhendong Wang , Mingyuan Zhou

Differentiable planning enables gradient-based optimization of decision-making problems by leveraging differentiable models of system dynamics. However, in highly nonlinear and hybrid discrete-continuous domains, the resulting optimization…

Artificial Intelligence · Computer Science 2026-05-11 Yuval Aroosh , Ayal Taitler