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Learning meaningful protein representation is important for a variety of biological downstream tasks such as structure-based drug design. Having witnessed the success of protein sequence pretraining, pretraining for structural data which is…

机器学习 · 计算机科学 2023-02-23 Yufei Huang , Lirong Wu , Haitao Lin , Jiangbin Zheng , Ge Wang , Stan Z. Li

Diffusion models have achieved remarkable success in image and video generation. In this work, we demonstrate that diffusion models can also \textit{generate high-performing neural network parameters}. Our approach is simple, utilizing an…

机器学习 · 计算机科学 2025-01-03 Kai Wang , Dongwen Tang , Boya Zeng , Yida Yin , Zhaopan Xu , Yukun Zhou , Zelin Zang , Trevor Darrell , Zhuang Liu , Yang You

Diffusion models have achieved impressive advancements in various vision tasks. However, these gains often rely on increasing model size, which escalates computational complexity and memory demands, complicating deployment, raising…

计算机视觉与模式识别 · 计算机科学 2026-03-06 Yang Zhang , Er Jin , Wenzhong Liang , Yanfei Dong , Ashkan Khakzar , Philip Torr , Johannes Stegmaier , Kenji Kawaguchi

Noise reduction techniques based on deep learning have demonstrated impressive performance in enhancing the overall quality of recorded speech. While these approaches are highly performant, their application in audio engineering can be…

声音 · 计算机科学 2023-10-18 Christian J. Steinmetz , Thomas Walther , Joshua D. Reiss

Diffusion models have emerged as a promising approach for text generation, with recent works falling into two main categories: discrete and continuous diffusion models. Discrete diffusion models apply token corruption independently using…

计算与语言 · 计算机科学 2025-05-29 Bocheng Li , Zhujin Gao , Linli Xu

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

生物大分子 · 定量生物学 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

A diffusion probabilistic model (DPM), which constructs a forward diffusion process by gradually adding noise to data points and learns the reverse denoising process to generate new samples, has been shown to handle complex data…

计算机视觉与模式识别 · 计算机科学 2023-10-16 Zhengxiong Luo , Dayou Chen , Yingya Zhang , Yan Huang , Liang Wang , Yujun Shen , Deli Zhao , Jingren Zhou , Tieniu Tan

We consider a problem of linear model selection in the presence of both continuous and categorical predictors. Feasible models consist of subsets of numerical variables and partitions of levels of factors. A new algorithm called delete or…

应用统计 · 统计学 2015-12-22 Aleksandra Maj-Kańska , Piotr Pokarowski , Agnieszka Prochenka

We propose self-diffusion, a novel framework for solving inverse problems without relying on pretrained generative models. Traditional diffusion-based approaches require training a model on a clean dataset to learn to reverse the forward…

机器学习 · 计算机科学 2025-12-09 Guanxiong Luo , Shoujin Huang , Yanlong Yang

Denoising diffusion models have emerged as one of the most powerful generative models in recent years. They have achieved remarkable success in many fields, such as computer vision, natural language processing (NLP), and bioinformatics.…

机器学习 · 计算机科学 2023-02-23 Zhiye Guo , Jian Liu , Yanli Wang , Mengrui Chen , Duolin Wang , Dong Xu , Jianlin Cheng

Self-supervised representation learning methods often fail to learn subtle or complex features, which can be dominated by simpler patterns which are much easier to learn. This limitation is particularly problematic in applications to…

计算机视觉与模式识别 · 计算机科学 2025-03-11 Lucas Farndale , Paul Henderson , Edward W Roberts , Ke Yuan

Designing protein sequences with specific biological functions and structural stability is crucial in biology and chemistry. Generative models already demonstrated their capabilities for reliable protein design. However, previous models are…

机器学习 · 计算机科学 2024-02-28 Lin Zongying , Li Hao , Lv Liuzhenghao , Lin Bin , Zhang Junwu , Chen Calvin Yu-Chian , Yuan Li , Tian Yonghong

The capability of accurate prediction of protein functions and properties is essential in the biotechnology industry, e.g. drug development and artificial protein synthesis, etc. The main challenges of protein function prediction are the…

定量方法 · 定量生物学 2021-12-02 Wei-Cheng Tseng , Po-Han Chi , Jia-Hua Wu , Min Sun

Determining protein structures at an atomic level remains a significant challenge in structural biology. We introduce $\texttt{RecCrysFormer}$, a hybrid model that exploits the strengths of transformers with the aim of integrating…

定量方法 · 定量生物学 2026-01-30 Tom Pan , Evan Dramko , Mitchell D. Miller , George N. Phillips , Anastasios Kyrillidis

In recent years, deep learning models have been successfully employed for augmenting low-resolution cosmological simulations with small-scale information, a task known as "super-resolution". So far, these cosmological super-resolution…

宇宙学与河外天体物理 · 物理学 2024-11-14 Andreas Schanz , Florian List , Oliver Hahn

Have you ever been troubled by the complexity and computational cost of SE(3) protein structure modeling and been amazed by the simplicity and power of language modeling? Recent work has shown promise in simplifying protein structures as…

定量方法 · 定量生物学 2023-01-25 Zhangyang Gao , Cheng Tan , Stan Z. Li

Accurate medical image segmentation is fundamental to precision medicine, yet robust delineation remains challenging under heterogeneous appearances, ambiguous boundaries, and large anatomical variability. Similar intensity and texture…

计算机视觉与模式识别 · 计算机科学 2026-05-15 Zhiquan Chen , Haitao Wang , Guowei Zou , Hejun Wu

Deep learning has shown the capability to substantially accelerate MRI reconstruction while acquiring fewer measurements. Recently, diffusion models have gained burgeoning interests as a novel group of deep learning-based generative…

图像与视频处理 · 电气工程与系统科学 2023-06-27 Jiahao Huang , Angelica Aviles-Rivero , Carola-Bibiane Schönlieb , Guang Yang

In post genomic era with the advent of new technologies a huge amount of complex molecular data are generated with high throughput. The management of this biological data is definitely a challenging task due to complexity and heterogeneity…

数据库 · 计算机科学 2014-03-13 Ananya Bose , Suprativ Saha

Generating molecules that bind to specific proteins is an important but challenging task in drug discovery. Previous works usually generate atoms in an auto-regressive way, where element types and 3D coordinates of atoms are generated one…

生物大分子 · 定量生物学 2024-07-16 Haitao Lin , Yufei Huang , Odin Zhang , Siqi Ma , Meng Liu , Xuanjing Li , Lirong Wu , Jishui Wang , Tingjun Hou , Stan Z. Li