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Related papers: Conditional Synthesis of 3D Molecules with Time Co…

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The synthetic control (SC) framework is widely used for observational causal inference with time-series panel data. SC has been successful in diverse applications, but existing methods typically treat the ordering of pre-intervention time…

Machine Learning · Computer Science 2026-01-07 Saeyoung Rho , Cyrus Illick , Samhitha Narasipura , Alberto Abadie , Daniel Hsu , Vishal Misra

Conditional image generation has paved the way for several breakthroughs in image editing, generating stock photos and 3-D object generation. This continues to be a significant area of interest with the rise of new state-of-the-art methods…

Computer Vision and Pattern Recognition · Computer Science 2022-05-10 Vedant Singh , Surgan Jandial , Ayush Chopra , Siddharth Ramesh , Balaji Krishnamurthy , Vineeth N. Balasubramanian

Data imputation and data generation have important applications for many domains, like healthcare and finance, where incomplete or missing data can hinder accurate analysis and decision-making. Diffusion models have emerged as powerful…

Machine Learning · Computer Science 2025-06-10 Mario Villaizán-Vallelado , Matteo Salvatori , Carlos Segura , Ioannis Arapakis

Generating temporal data under conditions is crucial for forecasting, imputation, and generative tasks. Such data often has metadata and partially observed signals that jointly influence the generated values. However, existing methods face…

Machine Learning · Computer Science 2025-11-05 Aditya Shankar , Lydia Y. Chen , Arie van Deursen , Rihan Hai

We demonstrate how conditional generation from diffusion models can be used to tackle a variety of realistic tasks in the production of music in 44.1kHz stereo audio with sampling-time guidance. The scenarios we consider include…

Sound · Computer Science 2023-12-06 Mark Levy , Bruno Di Giorgi , Floris Weers , Angelos Katharopoulos , Tom Nickson

Reliable machine learning and statistical analysis rely on diverse, well-distributed training data. However, real-world datasets are often limited in size and exhibit underrepresentation across key subpopulations, leading to biased…

Methodology · Statistics 2025-07-15 Xinyu Tian , Xiaotong Shen

The de novo generation of molecules with targeted properties is crucial in biology, chemistry, and drug discovery. Current generative models are limited to using single property values as conditions, struggling with complex customizations…

Machine Learning · Computer Science 2024-10-08 Yanchen Luo , Junfeng Fang , Sihang Li , Zhiyuan Liu , Jiancan Wu , An Zhang , Wenjie Du , Xiang Wang

The ability to automatically generate music that appropriately matches an arbitrary input track is a challenging task. We present a novel controllable system for generating single stems to accompany musical mixes of arbitrary length. At the…

Sound · Computer Science 2024-02-05 Marco Pasini , Maarten Grachten , Stefan Lattner

Conditional diffusion models serve as the foundation of modern image synthesis and find extensive application in fields like computational biology and reinforcement learning. In these applications, conditional diffusion models incorporate…

Machine Learning · Computer Science 2024-03-19 Hengyu Fu , Zhuoran Yang , Mengdi Wang , Minshuo Chen

By enabling capturing of 3D point clouds that reflect the geometry of the immediate environment, LiDAR has emerged as a primary sensor for autonomous systems. If a LiDAR scan is too sparse, occluded by obstacles, or too small in range,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-16 Ryan Faulkner , Luke Haub , Simon Ratcliffe , Anh-Dzung Doan , Ian Reid , Tat-Jun Chin

Industrial Multivariate Time Series (MTS) is a critical view of the industrial field for people to understand the state of machines. However, due to data collection difficulty and privacy concerns, available data for building industrial…

Machine Learning · Computer Science 2024-10-23 Lei Ren , Haiteng Wang , Yuanjun Laili

We consider the problem of conditional text-to-image synthesis with diffusion models. Most recent works need to either finetune specific parts of the base diffusion model or introduce new trainable parameters, leading to deployment…

Computer Vision and Pattern Recognition · Computer Science 2024-11-19 Tripti Shukla , Srikrishna Karanam , Balaji Vasan Srinivasan

Diffusion-based tabular data synthesis models have yielded promising results. However, when the data dimensionality increases, existing models tend to degenerate and may perform even worse than simpler, non-diffusion-based models. This is…

Machine Learning · Computer Science 2025-11-12 Zuqing Li , Junhao Gan , Jianzhong Qi

Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…

Biomolecules · Quantitative Biology 2024-07-17 Leo Klarner , Tim G. J. Rudner , Garrett M. Morris , Charlotte M. Deane , Yee Whye Teh

Distilled autoregressive diffusion models facilitate real-time short video synthesis but suffer from severe error accumulation during long-sequence generation. While existing Test-Time Optimization (TTO) methods prove effective for images…

Computer Vision and Pattern Recognition · Computer Science 2026-03-11 Xunzhi Xiang , Zixuan Duan , Guiyu Zhang , Haiyu Zhang , Zhe Gao , Junta Wu , Shaofeng Zhang , Tengfei Wang , Qi Fan , Chunchao Guo

3D generative models have shown significant promise in structure-based drug design (SBDD), particularly in discovering ligands tailored to specific target binding sites. Existing algorithms often focus primarily on ligand-target binding,…

The ability to rapidly develop materials with desired properties has a transformative impact on a broad range of emerging technologies. In this work, we introduce a new framework based on the diffusion model, a recent generative machine…

Generating 3D images of complex objects conditionally from a few 2D views is a difficult synthesis problem, compounded by issues such as domain gap and geometric misalignment. For instance, a unified framework such as Generative Adversarial…

Computer Vision and Pattern Recognition · Computer Science 2023-08-29 Abril Corona-Figueroa , Sam Bond-Taylor , Neelanjan Bhowmik , Yona Falinie A. Gaus , Toby P. Breckon , Hubert P. H. Shum , Chris G. Willcocks

Diffusion-based foundation models have recently garnered much attention in the field of generative modeling due to their ability to generate images of high quality and fidelity. Although not straightforward, their recent application to the…

Computer Vision and Pattern Recognition · Computer Science 2025-09-30 Nikos Kostagiolas , Pantelis Georgiades , Yannis Panagakis , Mihalis A. Nicolaou

Molecular dynamics (MD) simulations are useful in obtaining thermodynamic and kinetic properties of bio-molecules but are limited by the timescale barrier, i.e., we may be unable to efficiently obtain properties because we need to run…

Chemical Physics · Physics 2017-08-23 Surl-Hee Ahn , Jay W. Grate , Eric F. Darve