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Proteins play essential roles in nature, from catalyzing biochemical reactions to binding specific targets. Advances in protein engineering have the potential to revolutionize biotechnology and healthcare by designing proteins with tailored…

Biomolecules · Quantitative Biology 2025-05-05 Hocheol Lim , Geon-Ho Lee , Kyoung Tai No

Protein inverse folding aims to design an amino acid sequence that will fold into a given backbone structure, serving as a central task in protein design. Two main paradigms have been widely explored. Template-based methods exploit…

Machine Learning · Computer Science 2026-03-17 Yiran Zhu , Changxi Chi , Hongxin Xiang , Wenjie Du , Xiaoqi Wang , Jun Xia

Protein design is a fundamental challenge in biotechnology, aiming to design novel sequences with specific functions within the vast space of possible proteins. Recent advances in deep generative models have enabled function-based protein…

Machine Learning · Computer Science 2025-10-15 Nuowei Liu , Jiahao Kuang , Yanting Liu , Tao Ji , Changzhi Sun , Man Lan , Yuanbin Wu

Proteins are dynamic molecular machines whose biological functions, spanning enzymatic catalysis, signal transduction, and structural adaptation, are intrinsically linked to their motions. Designing proteins with targeted dynamic…

Biomolecules · Quantitative Biology 2025-02-17 Bo Ni , Markus J. Buehler

Vision Transformers (ViTs) have achieved strong performance in visual recognition, yet their deployment in resource-constrained industrial environments remains limited. Some main challenges are their high computational cost, memory…

Computer Vision and Pattern Recognition · Computer Science 2026-05-05 Phat Nguyen , Xue Geng , Kaixin Xu , Wang Zhe , Xulei Yang , Ngai-Man Cheung

Effective representations of protein sequences are widely recognized as a cornerstone of machine learning-based protein design. Yet, protein bioengineering poses unique challenges for sequence representation, as experimental datasets…

Quantitative Methods · Quantitative Biology 2026-04-07 Ana F. Rodrigues , Lucas Ferraz , Laura Balbi , Pedro Giesteira Cotovio , Catia Pesquita

Capturing sharp, evolving interfaces remains a central challenge in reduced-order modeling, especially when data is limited and the system exhibits localized nonlinearities or discontinuities. We propose LaSDI-IT (Latent Space Dynamics…

Computational Physics · Physics 2026-04-21 Seung Whan Chung , Christopher Miller , Youngsoo Choi , Paul Tranquilli , H. Keo Springer , Kyle Sullivan

Tokenizers are a key component of state-of-the-art generative image models, extracting the most important features from the signal while reducing data dimension and redundancy. Most current tokenizers are based on KL-regularized variational…

Computer Vision and Pattern Recognition · Computer Science 2025-10-07 Théophane Vallaeys , Jakob Verbeek , Matthieu Cord

Existing video tokenizers typically use the traditional Variational Autoencoder (VAE) architecture for video compression and reconstruction. However, to achieve good performance, its training process often relies on complex multi-stage…

Computer Vision and Pattern Recognition · Computer Science 2025-03-28 Nianzu Yang , Pandeng Li , Liming Zhao , Yang Li , Chen-Wei Xie , Yehui Tang , Xudong Lu , Zhihang Liu , Yun Zheng , Yu Liu , Junchi Yan

Recently, extensive deep learning architectures and pretraining strategies have been explored to support downstream protein applications. Additionally, domain-specific models incorporating biological knowledge have been developed to enhance…

Biomolecules · Quantitative Biology 2026-03-03 Shuo Yan , Yuliang Yan , Bin Ma , Chenao Li , Haochun Tang , Jiahua Lu , Minhua Lin , Yuyuan Feng , Enyan Dai

This paper presents the Large Vision Diffusion Transformer (LaVin-DiT), a scalable and unified foundation model designed to tackle over 20 computer vision tasks in a generative framework. Unlike existing large vision models directly adapted…

Computer Vision and Pattern Recognition · Computer Science 2025-03-07 Zhaoqing Wang , Xiaobo Xia , Runnan Chen , Dongdong Yu , Changhu Wang , Mingming Gong , Tongliang Liu

Diffusion Transformers have emerged as the preeminent models for a wide array of generative tasks, demonstrating superior performance and efficacy across various applications. The promising results come at the cost of slow inference, as…

Machine Learning · Computer Science 2025-03-24 Xuan Shen , Zhao Song , Yufa Zhou , Bo Chen , Yanyu Li , Yifan Gong , Kai Zhang , Hao Tan , Jason Kuen , Henghui Ding , Zhihao Shu , Wei Niu , Pu Zhao , Yanzhi Wang , Jiuxiang Gu

Recently, token-based generation have demonstrated their effectiveness in image synthesis. As a representative example, non-autoregressive Transformers (NATs) can generate decent-quality images in a few steps. NATs perform generation in a…

Computer Vision and Pattern Recognition · Computer Science 2024-11-12 Zanlin Ni , Yulin Wang , Renping Zhou , Yizeng Han , Jiayi Guo , Zhiyuan Liu , Yuan Yao , Gao Huang

We present an end-to-end Transformer based Latent Diffusion model for image synthesis. On the ImageNet class conditioned generation task we show that a Transformer based Latent Diffusion model achieves a 14.1FID which is comparable to the…

Computer Vision and Pattern Recognition · Computer Science 2023-01-02 Princy Chahal

Ensuring fairness in machine learning remains a significant challenge, as models often inherit biases from their training data. Generative models have recently emerged as a promising approach to mitigate bias at the data level while…

Machine Learning · Computer Science 2025-09-25 Emmanouil Panagiotou , Benoît Ronval , Arjun Roy , Ludwig Bothmann , Bernd Bischl , Siegfried Nijssen , Eirini Ntoutsi

The proliferation of 2D foundation models has sparked research into adapting them for open-world 3D instance segmentation. Recent methods introduce a paradigm that leverages superpoints as geometric primitives and incorporates 2D multi-view…

Computer Vision and Pattern Recognition · Computer Science 2024-11-07 Xi Yang , Xu Gu , Xingyilang Yin , Xinbo Gao

Deep generative models that learn from the distribution of natural protein sequences and structures may enable the design of new proteins with valuable functions. While the majority of today's models focus on generating either sequences or…

Biomolecules · Quantitative Biology 2024-10-03 Chentong Wang , Sarah Alamdari , Carles Domingo-Enrich , Ava Amini , Kevin K. Yang

We introduce SANDesc, a Streamlined Attention-Based Network for Descriptor extraction that aims to improve on existing architectures for keypoint description. Our descriptor network learns to compute descriptors that improve matching…

Computer Vision and Pattern Recognition · Computer Science 2026-01-21 Mattia D'Urso , Emanuele Santellani , Christian Sormann , Mattia Rossi , Andreas Kuhn , Friedrich Fraundorfer

Diffusion transformers (DiTs) achieve high generative quality but lock FLOPs to image resolution, limiting principled latency-quality trade-offs, and allocate computation uniformly across input spatial tokens, wasting resource allocation to…

Computer Vision and Pattern Recognition · Computer Science 2026-03-13 Moayed Haji-Ali , Willi Menapace , Ivan Skorokhodov , Dogyun Park , Anil Kag , Michael Vasilkovsky , Sergey Tulyakov , Vicente Ordonez , Aliaksandr Siarohin

Designing novel protein sequences for a desired 3D topological fold is a fundamental yet non-trivial task in protein engineering. Challenges exist due to the complex sequence--fold relationship, as well as the difficulties to capture the…

Machine Learning · Computer Science 2021-06-25 Yue Cao , Payel Das , Vijil Chenthamarakshan , Pin-Yu Chen , Igor Melnyk , Yang Shen