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Recent advances in diffusion models have shown remarkable potential in the conditional generation of novel molecules. These models can be guided in two ways: (i) explicitly, through additional features representing the condition, or (ii)…

Machine Learning · Computer Science 2025-03-12 Yuchen Shen , Chenhao Zhang , Sijie Fu , Chenghui Zhou , Newell Washburn , Barnabás Póczos

Quantum generative models offer a promising new direction in machine learning by leveraging quantum circuits to enhance data generation capabilities. In this study, we propose a hybrid quantum-classical image generation framework that…

Quantum Physics · Physics 2025-04-04 Chi-Sheng Chen , Wei An Hou , Hsiang-Wei Hu , Zhen-Sheng Cai

Quantum generative models exploit quantum superposition and entanglement to enhance learning efficiency for both classical and quantum data. Recently, inspired by classical diffusion frameworks, the quantum denoising diffusion probabilistic…

Machine Learning · Computer Science 2026-04-16 Haipeng Cao , Kaining Zhang , Dacheng Tao , Zhaofeng Su

Diffusion models have demonstrated remarkable success in image generation, but they are computationally intensive and time-consuming to train. In this paper, we introduce a novel diffusion model that benefits from quantum computing…

Denoising diffusion models have recently emerged as a powerful class of generative models. They provide state-of-the-art results, not only for unconditional simulation, but also when used to solve conditional simulation problems arising in…

Machine Learning · Statistics 2022-06-28 Yuyang Shi , Valentin De Bortoli , George Deligiannidis , Arnaud Doucet

We propose a deep generative approach to sampling from a conditional distribution based on a unified formulation of conditional distribution and generalized nonparametric regression function using the noise-outsourcing lemma. The proposed…

Statistics Theory · Mathematics 2021-10-22 Xingyu Zhou , Yuling Jiao , Jin Liu , Jian Huang

Recent advances in latent diffusion models have demonstrated state-of-the-art performance in high-dimensional time-series data synthesis while providing flexible control through conditioning and guidance. However, existing methodologies…

Machine Learning · Computer Science 2025-11-11 Matteo Pettenó , Alessandro Ilic Mezza , Alberto Bernardini

Due to the vast design space of molecules, generating molecules conditioned on a specific sub-structure relevant to a particular function or therapeutic target is a crucial task in computer-aided drug design. Existing works mainly focus on…

Biomolecules · Quantitative Biology 2024-12-24 Qi Zhengyang , Liu Zijing , Zhang Jiying , Cao He , Li Yu

Scenario-based probabilistic forecasts have become vital for decision-makers in handling intermittent renewable energies. This paper presents a recent promising deep learning generative approach called denoising diffusion probabilistic…

Machine Learning · Computer Science 2023-08-22 Esteban Hernandez Capel , Jonathan Dumas

Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, we present a conditional molecular design…

Machine Learning · Computer Science 2019-04-02 Seokho Kang , Kyunghyun Cho

Denoising diffusion models are a novel class of generative algorithms that achieve state-of-the-art performance across a range of domains, including image generation and text-to-image tasks. Building on this success, diffusion models have…

Machine Learning · Computer Science 2024-03-08 Nic Fishman , Leo Klarner , Valentin De Bortoli , Emile Mathieu , Michael Hutchinson

Classical diffusion models have shown superior generative results. Exploring them in the quantum domain can advance the field of quantum generative learning. This work introduces Quantum Generative Diffusion Model (QGDM) as their simple and…

Quantum Physics · Physics 2024-08-06 Chuangtao Chen , Qinglin Zhao , MengChu Zhou , Zhimin He , Zhili Sun , Haozhen Situ

Conditional diffusion probabilistic models can model the distribution of natural images and can generate diverse and realistic samples based on given conditions. However, oftentimes their results can be unrealistic with observable color…

Computer Vision and Pattern Recognition · Computer Science 2022-12-15 Kangfu Mei , Nithin Gopalakrishnan Nair , Vishal M. Patel

Generative modeling, which learns joint probability distribution from data and generates samples according to it, is an important task in machine learning and artificial intelligence. Inspired by probabilistic interpretation of quantum…

Statistical Mechanics · Physics 2018-07-20 Zhao-Yu Han , Jun Wang , Heng Fan , Lei Wang , Pan Zhang

Although deep learning has achieved appealing results on several machine learning tasks, most of the models are deterministic at inference, limiting their application to single-modal settings. We propose a novel general-purpose framework…

Machine Learning · Computer Science 2020-10-12 Sameera Ramasinghe , Kanchana Ranasinghe , Salman Khan , Nick Barnes , Stephen Gould

Denoising diffusion (score-based) generative models have recently achieved significant accomplishments in generating realistic and diverse data. These approaches define a forward diffusion process for transforming data into noise and a…

Computer Vision and Pattern Recognition · Computer Science 2023-03-17 Yuzhang Shang , Zhihang Yuan , Bin Xie , Bingzhe Wu , Yan Yan

Deep generative neural networks have proven effective at both conditional and unconditional modeling of complex data distributions. Conditional generation enables interactive control, but creating new controls often requires expensive…

Machine Learning · Computer Science 2017-12-25 Jesse Engel , Matthew Hoffman , Adam Roberts

We study the inductive biases of diffusion models with a conditioning-variable, which have seen widespread application as both text-conditioned generative image models and observation-conditioned continuous control policies. We observe that…

Machine Learning · Computer Science 2025-12-23 Daniel Pfrommer , Zehao Dou , Christopher Scarvelis , Max Simchowitz , Ali Jadbabaie

Generative modeling using samples drawn from the probability distribution constitutes a powerful approach for unsupervised machine learning. Quantum mechanical systems can produce probability distributions that exhibit quantum correlations…

Quantum Physics · Physics 2022-10-07 Xun Gao , Eric R. Anschuetz , Sheng-Tao Wang , J. Ignacio Cirac , Mikhail D. Lukin

Automatic layout generation that can synthesize high-quality layouts is an important tool for graphic design in many applications. Though existing methods based on generative models such as Generative Adversarial Networks (GANs) and…

Computer Vision and Pattern Recognition · Computer Science 2023-05-05 Shang Chai , Liansheng Zhuang , Fengying Yan