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With the emergence of diffusion models as a frontline generative model, many researchers have proposed molecule generation techniques with conditional diffusion models. However, the unavoidable discreteness of a molecule makes it difficult…

Machine Learning · Computer Science 2025-06-05 Jinho Chang , Jong Chul Ye

We propose a Distributional Approach for addressing Controlled Text Generation from pre-trained Language Models (LMs). This approach permits to specify, in a single formal framework, both "pointwise" and "distributional" constraints over…

Computation and Language · Computer Science 2021-05-07 Muhammad Khalifa , Hady Elsahar , Marc Dymetman

Denoising Diffusion Probabilistic Model (DDPM) is able to make flexible conditional image generation from prior noise to real data, by introducing an independent noise-aware classifier to provide conditional gradient guidance at each time…

Computer Vision and Pattern Recognition · Computer Science 2022-09-21 Shengming Li , Guangcong Zheng , Hui Wang , Taiping Yao , Yang Chen , Shoudong Ding , Xi Li

Conditional discrete generative models struggle to faithfully compose multiple input conditions. To address this, we derive a theoretically-grounded formulation for composing discrete probabilistic generative processes, with masked…

Machine Learning · Computer Science 2026-04-08 Jamie Stirling , Noura Al-Moubayed , Chris G. Willcocks , Hubert P. H. Shum

Conditional discrete generative models struggle to faithfully compose multiple input conditions. To address this, we derive a theoretically-grounded formulation for composing discrete probabilistic generative processes, with masked…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Jamie Stirling , Noura Al-Moubayed , Chris G. Willcocks , Hubert P. H. Shum

Discriminative classifiers have become a foundational tool in deep learning for medical imaging, excelling at learning separable features of complex data distributions. However, these models often need careful design, augmentation, and…

Computer Vision and Pattern Recognition · Computer Science 2025-08-11 Gian Mario Favero , Parham Saremi , Emily Kaczmarek , Brennan Nichyporuk , Tal Arbel

Score-based generative models (SGMs) have recently emerged as a promising class of generative models. However, a fundamental limitation is that their sampling process is slow due to a need for many (e.g., 2000) iterations of sequential…

Computer Vision and Pattern Recognition · Computer Science 2025-03-03 Hengyuan Ma , Xiatian Zhu , Jianfeng Feng , Li Zhang

The development of large language models and multi-modal models has enabled the appealing idea of generating novel molecules from text descriptions. Generative modeling would shift the paradigm from relying on large-scale chemical screening…

Machine Learning · Computer Science 2025-08-25 Yifan Deng , Spencer S. Ericksen , Anthony Gitter

Widely adopted medical image segmentation methods, although efficient, are primarily deterministic and remain poorly amenable to natural language prompts. Thus, they lack the capability to estimate multiple proposals, human interaction, and…

Computer Vision and Pattern Recognition · Computer Science 2026-01-23 Yuan Lin , Murong Xu , Marc Hölle , Chinmay Prabhakar , Andreas Maier , Vasileios Belagiannis , Bjoern Menze , Suprosanna Shit

Antibodies are essential proteins responsible for immune responses in organisms, capable of specifically recognizing antigen molecules of pathogens. Recent advances in generative models have significantly enhanced rational antibody design.…

Artificial Intelligence · Computer Science 2025-11-10 Zichen Wang , Yaokun Ji , Jianing Tian , Shuangjia Zheng

Denoising diffusion probabilistic models (DDPM) are a class of generative models which have recently been shown to produce excellent samples. We show that with a few simple modifications, DDPMs can also achieve competitive log-likelihoods…

Machine Learning · Computer Science 2021-02-22 Alex Nichol , Prafulla Dhariwal

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

Raman spectroscopy has attracted significant attention in various biochemical detection fields, especially in the rapid identification of pathogenic bacteria. The integration of this technology with deep learning to facilitate automated…

Computer Vision and Pattern Recognition · Computer Science 2024-12-12 Haiming Yao , Wei Luo , Ang Gao , Tao Zhou , Xue Wang

Pre-trained language models (PLM) have marked a huge leap in neural dialogue modeling. While PLMs are pre-trained on large-scale text corpora, they are usually fine-tuned on scarce dialogue data with specific domain knowledge and dialogue…

Computation and Language · Computer Science 2021-12-14 Xiaodong Gu , Kang Min Yoo , Sang-Woo Lee

We introduce Diffusion Active Learning, a novel approach that combines generative diffusion modeling with data-driven sequential experimental design to adaptively acquire data for inverse problems. Although broadly applicable, we focus on…

Machine Learning · Computer Science 2025-04-07 Luis Barba , Johannes Kirschner , Tomas Aidukas , Manuel Guizar-Sicairos , Benjamín Béjar

Probing Pre-trained Language Models (PLMs) using prompts has indirectly implied that language models (LMs) can be treated as knowledge bases. To this end, this phenomena has been effective especially when these LMs are fine-tuned towards…

Computation and Language · Computer Science 2022-04-08 M. Abaho , D. Bollegala , P. Williamson , S. Dodd

Humans excel at discovering regular structures from limited samples and applying inferred rules to novel settings. We investigate whether modern generative models can similarly learn underlying rules from finite samples and perform…

Machine Learning · Computer Science 2024-11-13 Binxu Wang , Jiaqi Shang , Haim Sompolinsky

In this paper, we consider the conditional generation problem by guiding off-the-shelf unconditional diffusion models with differentiable loss functions in a plug-and-play fashion. While previous research has primarily focused on balancing…

Computer Vision and Pattern Recognition · Computer Science 2024-11-21 Youyuan Zhang , Zehua Liu , Zenan Li , Zhaoyu Li , James J. Clark , Xujie Si

The dominant approach to generating from language models subject to some constraint is locally constrained decoding (LCD), incrementally sampling tokens at each time step such that the constraint is never violated. Typically, this is…

Diffusion Language Models (DLMs) are rapidly emerging as a powerful and promising alternative to the dominant autoregressive (AR) paradigm. By generating tokens in parallel through an iterative denoising process, DLMs possess inherent…

Computation and Language · Computer Science 2025-12-08 Tianyi Li , Mingda Chen , Bowei Guo , Zhiqiang Shen
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