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Related papers: CFP-Gen: Combinatorial Functional Protein Generati…

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Recent advances in generative artificial intelligence have had a significant impact on diverse domains spanning computer vision, natural language processing, and drug discovery. This work extends the reach of generative models into physical…

Machine Learning · Computer Science 2024-10-22 Christian Jacobsen , Yilin Zhuang , Karthik Duraisamy

Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…

Machine Learning · Computer Science 2024-10-04 Huaisheng Zhu , Teng Xiao , Vasant G Honavar

Recent data-efficient molecular generation approaches exploit graph grammars to introduce interpretability into the generative models. However, grammar learning therein relies on expert annotation or unreliable heuristics for algorithmic…

Artificial Intelligence · Computer Science 2025-05-30 Michael Sun , Weize Yuan , Gang Liu , Wojciech Matusik , Jie Chen

We propose a method to control the attributes of Language Models (LMs) for the text generation task using Causal Average Treatment Effect (ATE) scores and counterfactual augmentation. We explore this method, in the context of LM…

Computation and Language · Computer Science 2023-10-04 Rahul Madhavan , Rishabh Garg , Kahini Wadhawan , Sameep Mehta

Diffusion models have become a new generative paradigm for text generation. Considering the discrete categorical nature of text, in this paper, we propose GlyphDiffusion, a novel diffusion approach for text generation via text-guided image…

Computation and Language · Computer Science 2023-05-09 Junyi Li , Wayne Xin Zhao , Jian-Yun Nie , Ji-Rong Wen

Conditional Flow Matching (CFM) models can generate high-quality samples from a non-informative prior, but they can be slow, often needing hundreds of network evaluations (NFE). To address this, we propose Implicit Dynamical Flow Fusion…

Machine Learning · Computer Science 2025-05-28 Mohammad R. Rezaei , Milos R. Popovic , Milad Lankarany , Rahul G. Krishnan

Classifier-Free Guidance (CFG) is a widely used technique for conditional generation and improving sample quality in continuous diffusion models, and its extensions to discrete diffusion has recently started to be investigated. In order to…

Machine Learning · Computer Science 2026-03-04 Kevin Rojas , Ye He , Chieh-Hsin Lai , Yuhta Takida , Yuki Mitsufuji , Molei Tao

Generative models are transforming creative domains such as music generation, with inference-time strategies like Classifier-Free Guidance (CFG) playing a crucial role. However, CFG doubles inference cost while limiting originality and…

Sequence generative models are transforming protein engineering. However, no principled framework exists for conditioning these models on auxiliary information, such as experimental data, without additional training of a generative model.…

Machine Learning · Computer Science 2026-01-19 Junhao Xiong , Ishan Gaur , Maria Lukarska , Hunter Nisonoff , Luke M. Oltrogge , David F. Savage , Jennifer Listgarten

We introduce caption-guided face recognition (CGFR) as a new framework to improve the performance of commercial-off-the-shelf (COTS) face recognition (FR) systems. In contrast to combining soft biometrics (eg., facial marks, gender, and…

Computer Vision and Pattern Recognition · Computer Science 2023-08-15 Md Mahedi Hasan , Nasser Nasrabadi

Generating protein sequences conditioned on protein structures is an impactful technique for protein engineering. When synthesizing engineered proteins, they are commonly translated into DNA and expressed in an organism such as yeast. One…

Machine Learning · Computer Science 2024-09-27 Hannes Stark , Umesh Padia , Julia Balla , Cameron Diao , George Church

Recent progress in image generation has sparked research into controlling these models through condition signals, with various methods addressing specific challenges in conditional generation. Instead of proposing another specialized…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Xirui Li , Charles Herrmann , Kelvin C. K. Chan , Yinxiao Li , Deqing Sun , Chao Ma , Ming-Hsuan Yang

Transcription Factors (TFs) are proteins that regulate gene expression. The regulation mechanism is via the binding of a TF to a specific part of the gene associated with it, the TF's target. The target of a specific TF corresponds to a…

Statistical Mechanics · Physics 2022-09-02 Ori Hachmo , Ariel Amir

Protein language models (PLMs) have shown promise in improving the understanding of protein sequences, contributing to advances in areas such as function prediction and protein engineering. However, training these models from scratch…

Machine Learning · Computer Science 2024-12-19 Shivasankaran Vanaja Pandi , Bharath Ramsundar

Content-based collaborative filtering (CCF) predicts user-item interactions based on both users' interaction history and items' content information. Recently, pre-trained language models (PLM) have been used to extract high-quality item…

Computation and Language · Computer Science 2022-11-23 Yoonseok Yang , Kyu Seok Kim , Minsam Kim , Juneyoung Park

Engineering design tasks often require synthesizing new designs that meet desired performance requirements. The conventional design process, which requires iterative optimization and performance evaluation, is slow and dependent on initial…

Machine Learning · Computer Science 2021-06-08 Amin Heyrani Nobari , Wei Chen , Faez Ahmed

Deep learning has transformed protein design, enabling accurate structure prediction, sequence optimization, and de novo protein generation. Advances in single-chain protein structure prediction via AlphaFold2, RoseTTAFold, ESMFold, and…

Machine Learning · Computer Science 2025-02-27 Gregory W. Kyro , Tianyin Qiu , Victor S. Batista

Query expansion with pseudo-relevance feedback (PRF) is a powerful approach to enhance the effectiveness in information retrieval. Recently, with the rapid advance of deep learning techniques, neural text generation has achieved promising…

Information Retrieval · Computer Science 2021-08-16 Minghui Huang , Dong Wang , Shuang Liu , Meizhen Ding

This paper introduces Multi-Garment Customized Model Generation, a unified framework based on Latent Diffusion Models (LDMs) aimed at addressing the unexplored task of synthesizing images with free combinations of multiple pieces of…

Computer Vision and Pattern Recognition · Computer Science 2024-08-12 Yichen Liu , Penghui Du , Yi Liu Quanwei Zhang

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