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Exploration is critical for solving real-world decision-making problems such as scientific discovery, where the objective is to generate truly novel designs rather than mimic existing data distributions. In this work, we address the…

Machine Learning · Computer Science 2025-06-19 Riccardo De Santi , Marin Vlastelica , Ya-Ping Hsieh , Zebang Shen , Niao He , Andreas Krause

Diffusion Probabilistic Models (DPMs) are generative models showing competitive performance in various domains, including image synthesis and 3D point cloud generation. Sampling from pre-trained DPMs involves multiple neural function…

Machine Learning · Computer Science 2025-05-21 Vinh Tong , Hoang Trung-Dung , Anji Liu , Guy Van den Broeck , Mathias Niepert

Denoising diffusion probabilistic models (DDPMs) have achieved high quality image generation without adversarial training, yet they require simulating a Markov chain for many steps to produce a sample. To accelerate sampling, we present…

Machine Learning · Computer Science 2022-10-07 Jiaming Song , Chenlin Meng , Stefano Ermon

Deep neural networks are often ignorant about what they do not know and overconfident when they make uninformed predictions. Some recent approaches quantify classification uncertainty directly by training the model to output high…

Machine Learning · Computer Science 2020-06-09 Murat Sensoy , Lance Kaplan , Federico Cerutti , Maryam Saleki

Quantifying the uncertainty in model parameters and output is a critical component in model-driven decision support systems for groundwater management. This paper presents a novel algorithmic approach which fuses Markov Chain Monte Carlo…

Computation · Statistics 2021-05-26 Mikkel B. Lykkegaard , Tim J. Dodwell , David Moxey

The vast applications of deep generative models are anchored in three core capabilities -- generating new instances, reconstructing inputs, and learning compact representations -- across various data types, such as discrete text/protein…

Machine Learning · Computer Science 2024-06-06 Guangyi Liu , Yu Wang , Zeyu Feng , Qiyu Wu , Liping Tang , Yuan Gao , Zhen Li , Shuguang Cui , Julian McAuley , Zichao Yang , Eric P. Xing , Zhiting Hu

Deep neural networks have amply demonstrated their prowess but estimating the reliability of their predictions remains challenging. Deep Ensembles are widely considered as being one of the best methods for generating uncertainty estimates…

Machine Learning · Computer Science 2021-06-28 Nikita Durasov , Timur Bagautdinov , Pierre Baque , Pascal Fua

Inverse protein folding generates valid amino acid sequences that can fold into a desired protein structure, with recent deep-learning advances showing strong potential and competitive performance. However, challenges remain, such as…

Biomolecules · Quantitative Biology 2025-07-29 Peizhen Bai , Filip Miljković , Xianyuan Liu , Leonardo De Maria , Rebecca Croasdale-Wood , Owen Rackham , Haiping Lu

Maximum entropy modeling is a flexible and popular framework for formulating statistical models given partial knowledge. In this paper, rather than the traditional method of optimizing over the continuous density directly, we learn a smooth…

Methodology · Statistics 2017-05-01 Gabriel Loaiza-Ganem , Yuanjun Gao , John P. Cunningham

Generating photos satisfying multiple constraints find broad utility in the content creation industry. A key hurdle to accomplishing this task is the need for paired data consisting of all modalities (i.e., constraints) and their…

Computer Vision and Pattern Recognition · Computer Science 2023-04-21 Nithin Gopalakrishnan Nair , Wele Gedara Chaminda Bandara , Vishal M. Patel

Masked Diffusion Models (MDMs) have emerged as a promising approach for generative modeling in discrete spaces. By generating sequences in any order and allowing for parallel decoding, they enable fast inference and strong performance on…

Machine Learning · Computer Science 2026-02-12 Jaeyeon Kim , Jonathan Geuter , David Alvarez-Melis , Sham Kakade , Sitan Chen

We analyze, theoretically and empirically, the performance of generative diffusion models based on \emph{blind denoisers}, in which the denoiser is not given the noise amplitude in either the training or sampling processes. Assuming that…

Machine Learning · Computer Science 2026-02-11 Zahra Kadkhodaie , Aram-Alexandre Pooladian , Sinho Chewi , Eero Simoncelli

Large Language Diffusion Models (LLDMs) are emerging as an alternative to autoregressive models, offering faster inference through higher parallelism. Similar to autoregressive LLMs, they remain prone to hallucinations, making reliable…

Computation and Language · Computer Science 2026-05-15 Artem Vazhentsev , Vladislav Smirnov , David Li , Maxim Panov , Timothy Baldwin , Artem Shelmanov

Large language models (LLMs) often generate fluent but factually incorrect outputs, known as hallucinations, which undermine their reliability in real-world applications. While uncertainty estimation has emerged as a promising strategy for…

Machine Learning · Computer Science 2025-05-13 Pei-Fu Guo , Yun-Da Tsai , Shou-De Lin

We study the channel coding problem when errors and uncertainty occur in the encoding process. For simplicity we assume the channel between the encoder and the decoder is perfect. Focusing on linear block codes, we model the encoding…

Information Theory · Computer Science 2013-05-17 Jad Hachem , I-Hsiang Wang , Christina Fragouli , Suhas Diggavi

We introduce the state-of-the-art deep learning Denoising Diffusion Probabilistic Model (DDPM) as a method to infer the volume or number density of giant molecular clouds (GMCs) from projected mass surface density maps. We adopt…

Astrophysics of Galaxies · Physics 2023-06-28 Duo Xu , Jonathan C. Tan , Chia-Jung Hsu , Ye Zhu

Decoding strategies for generative large language models (LLMs) are a critical but often underexplored aspect of text generation tasks. Guided by specific hyperparameters, these strategies aim to transform the raw probability distributions…

Computation and Language · Computer Science 2024-12-17 Esteban Garces Arias , Meimingwei Li , Christian Heumann , Matthias Aßenmacher

Denoising Diffusion Probabilistic Models (DDPMs) have recently achieved remarkable results in conditional and unconditional image generation. The pre-trained models can be adapted without further training to different downstream tasks, by…

Computer Vision and Pattern Recognition · Computer Science 2023-09-19 Asya Grechka , Guillaume Couairon , Matthieu Cord

One of the main drawback of diffusion models is the slow inference time for image generation. Among the most successful approaches to addressing this problem are distillation methods. However, these methods require considerable…

Computer Vision and Pattern Recognition · Computer Science 2024-10-16 Senmao Li , Taihang Hu , Joost van de Weijer , Fahad Shahbaz Khan , Tao Liu , Linxuan Li , Shiqi Yang , Yaxing Wang , Ming-Ming Cheng , Jian Yang

Due to various physical degradation factors and limited counts received, PET image quality needs further improvements. The denoising diffusion probabilistic models (DDPM) are distribution learning-based models, which try to transform a…

Image and Video Processing · Electrical Eng. & Systems 2022-09-15 Kuang Gong , Keith A. Johnson , Georges El Fakhri , Quanzheng Li , Tinsu Pan
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