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Developing bioactive molecules remains a central, time- and cost-heavy challenge in drug discovery, particularly for novel targets lacking structural or functional data. Pharmacophore modeling presents an alternative for capturing the key…

Machine Learning · Computer Science 2025-05-16 Amira Alakhdar , Barnabas Poczos , Newell Washburn

Generative models have achieved impressive results in many domains including image and text generation. In the natural sciences, generative models have led to rapid progress in automated drug discovery. Many of the current methods focus on…

Machine Learning · Computer Science 2019-09-04 Jordan Hoffmann , Louis Maestrati , Yoshihide Sawada , Jian Tang , Jean Michel Sellier , Yoshua Bengio

We present DIRECT-3D, a diffusion-based 3D generative model for creating high-quality 3D assets (represented by Neural Radiance Fields) from text prompts. Unlike recent 3D generative models that rely on clean and well-aligned 3D data,…

Computer Vision and Pattern Recognition · Computer Science 2024-06-10 Qihao Liu , Yi Zhang , Song Bai , Adam Kortylewski , Alan Yuille

In multi-class histopathology nuclei analysis tasks, the lack of training data becomes a main bottleneck for the performance of learning-based methods. To tackle this challenge, previous methods have utilized generative models to increase…

Computer Vision and Pattern Recognition · Computer Science 2024-09-05 Seonghui Min , Hyun-Jic Oh , Won-Ki Jeong

In this study, we present a novel approach for predicting genomic information from medical imaging modalities using a transformer-based model. We aim to bridge the gap between imaging and genomics data by leveraging transformer networks,…

Computer Vision and Pattern Recognition · Computer Science 2024-08-02 Aiman Farooq , Deepak Mishra , Santanu Chaudhury

We address hyperspectral image (HSI) synthesis, a problem that has garnered growing interest yet remains constrained by the conditional generative paradigms that limit sample diversity. While diffusion models have emerged as a…

Computer Vision and Pattern Recognition · Computer Science 2025-08-20 Shiyu Shen , Bin Pan , Ziye Zhang , Zhenwei Shi

State-of-the-art diffusion models can generate highly realistic images based on various conditioning like text, segmentation, and depth. However, an essential aspect often overlooked is the specific camera geometry used during image…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 Andrey Voynov , Amir Hertz , Moab Arar , Shlomi Fruchter , Daniel Cohen-Or

Electron microscopy (EM) images exhibit anisotropic axial resolution due to the characteristics inherent to the imaging modality, presenting challenges in analysis and downstream tasks.In this paper, we propose a diffusion-model-based…

Computer Vision and Pattern Recognition · Computer Science 2023-08-04 Kyungryun Lee , Won-Ki Jeong

Deep learning-based medical image processing algorithms require representative data during development. In particular, surgical data might be difficult to obtain, and high-quality public datasets are limited. To overcome this limitation and…

Image and Video Processing · Electrical Eng. & Systems 2024-04-05 Siyuan Mei , Fuxin Fan , Fabian Wagner , Mareike Thies , Mingxuan Gu , Yipeng Sun , Andreas Maier

Semantic communications mark a paradigm shift from bit-accurate transmission toward meaning-centric communication, essential as wireless systems approach theoretical capacity limits. The emergence of generative AI has catalyzed generative…

Signal Processing · Electrical Eng. & Systems 2026-05-08 Hai-Long Qin , Jincheng Dai , Guo Lu , Shuo Shao , Sixian Wang , Tongda Xu , Wenjun Zhang , Ping Zhang , Khaled B. Letaief

We present a novel generative modeling framework,Wavelet-Fourier-Diffusion, which adapts the diffusion paradigm to hybrid frequency representations in order to synthesize high-quality, high-fidelity images with improved spatial…

Computer Vision and Pattern Recognition · Computer Science 2025-04-08 Andrew Kiruluta , Andreas Lemos

Diffusion models for continuous data gained widespread adoption owing to their high quality generation and control mechanisms. However, controllable diffusion on discrete data faces challenges given that continuous guidance methods do not…

Human-centric generative models designed for AI-driven storytelling must bring together two core capabilities: identity consistency and precise control over human performance. While recent diffusion-based approaches have made significant…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Foivos Paraperas Papantoniou , Stefanos Zafeiriou

Optimizing conflicting molecular properties while strictly adhering to complex 3D structural constraints constitutes a challenging Constrained Multi-Objective Optimization Problem (CMOP). Traditional Evolutionary Algorithms (EAs) destroy…

Neural and Evolutionary Computing · Computer Science 2026-04-09 Ruiqing Sun , Dawei Feng , Sen Yang , Ronghang Wang , Huaiyuan Song , Bo Ding , Yijie Wang , Huaimin Wang

This paper introduces the first text-guided work for generating the sequence of hand-object interaction in 3D. The main challenge arises from the lack of labeled data where existing ground-truth datasets are nowhere near generalizable in…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Junuk Cha , Jihyeon Kim , Jae Shin Yoon , Seungryul Baek

The task of layout-to-image generation involves synthesizing images based on the captions of objects and their spatial positions. Existing methods still struggle in complex layout generation, where common bad cases include object missing,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-21 Bo Cheng , Yuhang Ma , Liebucha Wu , Shanyuan Liu , Ao Ma , Xiaoyu Wu , Dawei Leng , Yuhui Yin

Due to recent breakthroughs in state-of-the-art DNA sequencing technology, genomics data sets have become ubiquitous. The emergence of large-scale data sets provides great opportunities for better understanding of genomics, especially gene…

Genomics · Quantitative Biology 2020-12-18 Wei Cheng , Ghulam Murtaza , Aaron Wang

Effectively designing molecular geometries is essential to advancing pharmaceutical innovations, a domain, which has experienced great attention through the success of generative models and, in particular, diffusion models. However, current…

Biomolecules · Quantitative Biology 2025-01-07 Sirine Ayadi , Leon Hetzel , Johanna Sommer , Fabian Theis , Stephan Günnemann

We study a fundamental problem in structure-based drug design -- generating molecules that bind to specific protein binding sites. While we have witnessed the great success of deep generative models in drug design, the existing methods are…

Biomolecules · Quantitative Biology 2022-11-15 Shitong Luo , Jiaqi Guan , Jianzhu Ma , Jian Peng

The inverse design of metasurfaces faces inherent challenges due to the nonlinear and highly complex relationship between geometric configurations and their electromagnetic behavior. Traditional optimization approaches often suffer from…

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