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A popular approach to protein design is to combine a generative model with a discriminative model for conditional sampling. The generative model samples plausible sequences while the discriminative model guides a search for sequences with…

Goal-directed molecular generation requires satisfying heterogeneous constraints such as protein--ligand compatibility and multi-objective drug-like properties, yet existing methods often optimize these constraints in isolation, failing to…

Machine Learning · Computer Science 2026-04-14 Yanting Li , Zhuoyang Jiang , Enyan Dai , Lei Wang , Wen-Cai Ye , Li Liu

Diffusion-based generative models have demonstrated a capacity for perceptually impressive synthesis, but can they also be great likelihood-based models? We answer this in the affirmative, and introduce a family of diffusion-based…

Machine Learning · Computer Science 2023-04-17 Diederik P. Kingma , Tim Salimans , Ben Poole , Jonathan Ho

Discrete diffusion models are a class of generative models that construct sequences by progressively denoising samples from a categorical noise distribution. Beyond their rapidly growing ability to generate coherent natural language, these…

Computation and Language · Computer Science 2025-12-11 Michael Cardei , Jacob K Christopher , Thomas Hartvigsen , Bhavya Kailkhura , Ferdinando Fioretto

Diffusion models have emerged as a powerful class of generative models, achieving state-of-the-art results in continuous data domains such as image and video generation. Their core mechanism involves a forward diffusion process that…

Computation and Language · Computer Science 2025-07-10 Ashen Weligalle

Generative models using neural network have opened a door to large-scale studies for various application domains, especially for studies that suffer from lack of real samples to obtain statistically robust inference. Typically, these…

Computer Vision and Pattern Recognition · Computer Science 2018-12-12 Seong Jae Hwang , Zirui Tao , Won Hwa Kim , Vikas Singh

Denoising diffusion models have gained popularity as a generative modeling technique for producing high-quality and diverse images. Applying these models to downstream tasks requires conditioning, which can take the form of text, class…

Computer Vision and Pattern Recognition · Computer Science 2023-06-06 Alexandros Graikos , Srikar Yellapragada , Dimitris Samaras

Protein fitness optimization involves finding a protein sequence that maximizes desired quantitative properties in a combinatorially large design space of possible sequences. Recent advances in steering protein generative models (e.g.,…

Biomolecules · Quantitative Biology 2025-10-22 Jason Yang , Wenda Chu , Daniel Khalil , Raul Astudillo , Bruce J. Wittmann , Frances H. Arnold , Yisong Yue

This paper explores the challenges and benefits of a trainable destruction process in diffusion samplers -- diffusion-based generative models trained to sample an unnormalised density without access to data samples. Contrary to the majority…

Recent advances in diffusion models have positioned them as powerful generative frameworks for speech synthesis, demonstrating substantial improvements in audio quality and stability. Nevertheless, their effectiveness in vocoders…

Sound · Computer Science 2025-12-01 Teysir Baoueb , Xiaoyu Bie , Mathieu Fontaine , Gaël Richard

Diffusion language models (DLMs) are an attractive alternative to autoregressive models because they promise sublinear-time, parallel generation, yet practical gains remain elusive as high-quality samples still demand hundreds of refinement…

Machine Learning · Computer Science 2026-05-04 Hasan Amin , Yuan Gao , Yaser Souri , Subhojit Som , Ming Yin , Rajiv Khanna , Xia Song

Diffusion models have enabled remarkably high-quality medical image generation, yet it is challenging to enforce anatomical constraints in generated images. To this end, we propose a diffusion model-based method that supports…

Image and Video Processing · Electrical Eng. & Systems 2024-06-21 Nicholas Konz , Yuwen Chen , Haoyu Dong , Maciej A. Mazurowski

Masked diffusion models (MDMs) generate discrete sequences by iterative denoising under an absorbing masking process. In standard masked diffusion, if a token remains masked after a reverse update, the model discards its clean-state…

Machine Learning · Computer Science 2026-05-01 Michael Cardei , Huu Binh Ta , Ferdinando Fioretto

Diffusion models (DMs) are a type of generative model that has a huge impact on image synthesis and beyond. They achieve state-of-the-art generation results in various generative tasks. A great diversity of conditioning inputs, such as text…

Machine Learning · Computer Science 2024-02-02 Weiguo Lu , Xuan Wu , Deng Ding , Jinqiao Duan , Jirong Zhuang , Gangnan Yuan

Generative models have achieved remarkable success in image, video, and text domains. Inspired by this, researchers have explored utilizing generative models to generate neural network parameters. However, these efforts have been limited by…

Artificial Intelligence · Computer Science 2024-08-05 Xiaolong Jin , Kai Wang , Dongwen Tang , Wangbo Zhao , Yukun Zhou , Junshu Tang , Yang You

Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often…

Denoising diffusion probabilistic models have recently demonstrated state-of-the-art generative performance and have been used as strong pixel-level representation learners. This paper decomposes the interrelation between the generative…

Computer Vision and Pattern Recognition · Computer Science 2024-04-16 Zixuan Pan , Jianxu Chen , Yiyu Shi

Reinforcement learning (RL) has been effective for post-training autoregressive (AR) language models, but extending these methods to diffusion language models (DLMs) is challenging due to intractable sequence-level likelihoods. Existing…

Although auto-regressive models excel in natural language processing, they often struggle to generate diverse text and provide limited controllability. Non-auto-regressive methods could be an alternative but often produce degenerate outputs…

Computation and Language · Computer Science 2025-02-25 Hyukhun Koh , Minha Jhang , Dohyung Kim , Sangmook Lee , Kyomin Jung

Although generative models hold promise for discovering molecules with optimized desired properties, they often fail to suggest synthesizable molecules that improve upon the known molecules seen in training. We find that a key limitation is…

Machine Learning · Computer Science 2025-01-07 Evan R. Antoniuk , Peggy Li , Nathan Keilbart , Stephen Weitzner , Bhavya Kailkhura , Anna M. Hiszpanski