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Designing protein-binding proteins with high affinity is critical in biomedical research and biotechnology. Despite recent advancements targeting specific proteins, the ability to create high-affinity binders for arbitrary protein targets…

Machine Learning · Computer Science 2025-11-03 Zhenqiao Song , Tiaoxiao Li , Lei Li , Martin Renqiang Min

Neural Fields (NFs) have gained momentum as a tool for compressing various data modalities - e.g. images and videos. This work leverages previous advances and proposes a novel NF-based compression algorithm for 3D data. We derive two…

Computer Vision and Pattern Recognition · Computer Science 2023-11-23 Janis Postels , Yannick Strümpler , Klara Reichard , Luc Van Gool , Federico Tombari

We propose to tackle the multiview photometric stereo problem using an extension of Neural Radiance Fields (NeRFs), conditioned on light source direction. The geometric part of our neural representation predicts surface normal direction,…

Computer Vision and Pattern Recognition · Computer Science 2022-07-15 Meghna Asthana , William A. P. Smith , Patrik Huber

Metal-Organic Frameworks (MOFs) are materials with a high degree of porosity that can be used for applications in energy storage, water desalination, gas storage, and gas separation. However, the chemical space of MOFs is close to an…

Machine Learning · Computer Science 2022-10-26 Zhonglin Cao , Rishikesh Magar , Yuyang Wang , Amir Barati Farimani

In contrast to supervised backpropagation-based feature learning in deep neural networks (DNNs), an unsupervised feedforward feature (UFF) learning scheme for joint classification and segmentation of 3D point clouds is proposed in this…

Computer Vision and Pattern Recognition · Computer Science 2020-09-04 Min Zhang , Pranav Kadam , Shan Liu , C. -C. Jay Kuo

Diffusion models have made significant contributions to computer vision, sparking a growing interest in the community recently regarding the application of them to graph generation. Existing discrete graph diffusion models exhibit…

Machine Learning · Computer Science 2024-05-07 Xingcheng Fu , Yisen Gao , Yuecen Wei , Qingyun Sun , Hao Peng , Jianxin Li , Xianxian Li

Neural networks have achieved remarkable performance across a wide range of tasks, yet they remain susceptible to adversarial perturbations, which pose significant risks in safety-critical applications. With the rise of multimodality,…

Computer Vision and Pattern Recognition · Computer Science 2024-10-21 Xinxin Liu , Zhongliang Guo , Siyuan Huang , Chun Pong Lau

Diffusion models have emerged as the best approach for generative modeling of 2D images. Part of their success is due to the possibility of training them on millions if not billions of images with a stable learning objective. However,…

Computer Vision and Pattern Recognition · Computer Science 2023-05-23 Animesh Karnewar , Andrea Vedaldi , David Novotny , Niloy Mitra

Cancer drug response varies widely across tumors due to multi-layer molecular heterogeneity, motivating computational decision support for precision oncology. Despite recent progress in deep CDR models, robust alignment between…

Machine Learning · Computer Science 2026-03-26 Yuhan Zhao , Jacob Tennant , James Yang , Zhishan Guo , Young Whang , Ning Sui

Low-field to high-field MRI synthesis has emerged as a cost-effective strategy to enhance image quality under hardware and acquisition constraints, particularly in scenarios where access to high-field scanners is limited or impractical.…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Zhenxuan Zhang , Peiyuan Jing , Ruicheng Yuan , Liwei Hu , Anbang Wang , Fanwen Wang , Yinzhe Wu , Kh Tohidul Islam , Zhaolin Chen , Zi Wang , Peter Lally , Guang Yang

Curved objects pose a fundamental challenge for skill transfer in robotics: unlike planar surfaces, they do not admit a global reference frame. As a result, task-relevant directions such as "toward" or "along" the surface vary with position…

Robotics · Computer Science 2025-11-25 Cem Bilaloglu , Tobias Löw , Sylvain Calinon

The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Materials Science · Physics 2021-11-22 Vadim V. Korolev , Yurii M. Nevolin , Thomas A. Manz , Pavel V. Protsenko

Sheaf Neural Networks (SNNs) naturally extend Graph Neural Networks (GNNs) by endowing a cellular sheaf over the graph, equipping nodes and edges with vector spaces and defining linear mappings between them. While the attached geometric…

Machine Learning · Computer Science 2024-07-31 Ferran Hernandez Caralt , Guillermo Bernárdez Gil , Iulia Duta , Pietro Liò , Eduard Alarcón Cot

Improving the quality of hyperspectral images (HSIs), such as through super-resolution, is a crucial research area. However, generative modeling for HSIs presents several challenges. Due to their high spectral dimensionality, HSIs are too…

Computer Vision and Pattern Recognition · Computer Science 2025-11-11 Sirui Wang , Jiang He , Natàlia Blasco Andreo , Xiao Xiang Zhu

Incomplete data are common in real-world tabular applications, where numerical, categorical, and discrete attributes coexist within a single dataset. This heterogeneous structure presents significant challenges for existing diffusion-based…

Machine Learning · Computer Science 2025-11-19 Youran Zhou , Mohamed Reda Bouadjenek , Sunil Aryal

Diffusion models (DMs) excel in photorealism, image editing, and solving inverse problems, aided by classifier-free guidance and image inversion techniques. However, rectified flow models (RFMs) remain underexplored for these tasks.…

Computer Vision and Pattern Recognition · Computer Science 2024-12-03 Maitreya Patel , Song Wen , Dimitris N. Metaxas , Yezhou Yang

The advancements in automatic text-to-3D generation have been remarkable. Most existing methods use pre-trained text-to-image diffusion models to optimize 3D representations like Neural Radiance Fields (NeRFs) via latent-space denoising…

Computer Vision and Pattern Recognition · Computer Science 2024-03-12 Junzhe Zhu , Peiye Zhuang , Sanmi Koyejo

We introduce DiffRF, a novel approach for 3D radiance field synthesis based on denoising diffusion probabilistic models. While existing diffusion-based methods operate on images, latent codes, or point cloud data, we are the first to…

Computer Vision and Pattern Recognition · Computer Science 2023-03-28 Norman Müller , Yawar Siddiqui , Lorenzo Porzi , Samuel Rota Bulò , Peter Kontschieder , Matthias Nießner

Diffusion MRI (dMRI) is a critical non-invasive technique to estimate fiber orientation distribution (FOD) for characterizing white matter integrity. Estimating FOD from single-shell low angular resolution dMRI (LAR-FOD) is limited by…

Computer Vision and Pattern Recognition · Computer Science 2025-12-19 Hao Tang , Hanyu Liu , Alessandro Perelli , Xi Chen , Chao Li

Traditional molecule generation methods often rely on sequence- or graph-based representations, which can limit their expressive power or require complex permutation-equivariant architectures. This paper introduces a novel paradigm for…

Machine Learning · Computer Science 2025-02-18 Van Khoa Nguyen , Maciej Falkiewicz , Giangiacomo Mercatali , Alexandros Kalousis
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