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Proteins perform their biological functions through three-dimensional structures encoded by amino acid sequences, and ligand-binding protein co-design requires models that generate sequence-structure compatible proteins under explicit…

生物大分子 · 定量生物学 2026-05-28 Chen Wei , Fanding Xu , Minghao Sun , Zhiyuan Liu , Lin Wang , Tianrui Jia , Yihang Zhou , Yang Zhang

AI-driven design problems, such as DNA/protein sequence design, are commonly tackled from two angles: generative modeling, which efficiently captures the feasible design space (e.g., natural images or biological sequences), and model-based…

Generative Adversarial Networks (GANs) advance face synthesis through learning the underlying distribution of observed data. Despite the high-quality generated faces, some minority groups can be rarely generated from the trained models due…

计算机视觉与模式识别 · 计算机科学 2021-03-30 Shuhan Tan , Yujun Shen , Bolei Zhou

Feature generation can significantly enhance learning outcomes, particularly for tasks with limited data. An effective way to improve feature generation is to expand the current feature space using existing features and enriching the…

计算与语言 · 计算机科学 2025-11-11 Xinhao Zhang , Jinghan Zhang , Fengran Mo , Dakshak Keerthi Chandra , Yu-Zhong Chen , Fei Xie , Kunpeng Liu

Retrieval-Augmented Generation (RAG) has become a standard architectural pattern for incorporating domain-specific knowledge into user-facing chat applications powered by Large Language Models (LLMs). RAG systems are characterized by (1) a…

计算与语言 · 计算机科学 2025-01-17 Robert Friel , Masha Belyi , Atindriyo Sanyal

Large Artificial Neural Network (ANN) models have demonstrated success in various domains, including general text and image generation, drug discovery, and protein-RNA (ribonucleic acid) binding tasks. However, these models typically demand…

生物大分子 · 定量生物学 2025-11-13 Stanislav Selitskiy

We introduce effective training algorithms for Generative Adversarial Networks (GAN) to alleviate mode collapse and gradient vanishing. In our system, we constrain the generator by an Autoencoder (AE). We propose a formulation to consider…

计算机视觉与模式识别 · 计算机科学 2018-12-18 Ngoc-Trung Tran , Tuan-Anh Bui , Ngai-Man Cheung

Proteins power a vast array of functional processes in living cells. The capability to create new proteins with designed structures and functions would thus enable the engineering of cellular behavior and development of protein-based…

生物大分子 · 定量生物学 2023-06-08 Yeqing Lin , Mohammed AlQuraishi

The global demand for sustainable protein sources has accelerated the need for intelligent tools that can rapidly process and synthesise domain-specific scientific knowledge. In this study, we present a proof-of-concept multi-agent…

人工智能 · 计算机科学 2025-06-26 Alexander D. Kalian , Jaewook Lee , Stefan P. Johannesson , Lennart Otte , Christer Hogstrand , Miao Guo

Typical engineering design tasks require the effort to modify designs iteratively until they meet certain constraints, i.e., performance or attribute requirements. Past work has proposed ways to solve the inverse design problem, where…

机器学习 · 计算机科学 2021-03-11 Amin Heyrani Nobari , Wei Chen , Faez Ahmed

Integrating multiple (sub-)systems is essential to create advanced Information Systems (ISs). Difficulties mainly arise when integrating dynamic environments across the IS lifecycle. A traditional approach is a registry that provides the…

软件工程 · 计算机科学 2025-07-29 Robin D. Pesl , Jerin G. Mathew , Massimo Mecella , Marco Aiello

Latent space is one of the key concepts in generative AI, offering powerful means for creative exploration through vector manipulation. However, diffusion models like Stable Diffusion lack the intuitive latent vector control found in GANs,…

机器学习 · 计算机科学 2025-09-29 Zhihua Zhong , Xuanyang Huang

Large language models (LLMs) in biomedicine face a fundamental conflict between static parameter knowledge and the dynamic nature of clinical evidence. Retrieval-Augmented Generation (RAG) addresses this by grounding generation in external…

其他定量生物学 · 定量生物学 2025-12-19 Jiawei He , Boya Zhang , Hossein Rouhizadeh , Yingjian Chen , Rui Yang , Jin Lu , Xudong Chen , Nan Liu , Douglas Teodoro

While retrieval techniques are widely used in practice, they still face significant challenges in cross-domain scenarios. Recently, generation-augmented methods have emerged as a promising solution to this problem. These methods enhance raw…

计算与语言 · 计算机科学 2025-02-18 Chaofan Li , Zheng Liu , Jianlyv Chen , Defu Lian , Yingxia Shao

We present BitDance, a scalable autoregressive (AR) image generator that predicts binary visual tokens instead of codebook indices. With high-entropy binary latents, BitDance lets each token represent up to $2^{256}$ states, yielding a…

计算机视觉与模式识别 · 计算机科学 2026-03-16 Yuang Ai , Jiaming Han , Shaobin Zhuang , Weijia Mao , Xuefeng Hu , Ziyan Yang , Zhenheng Yang , Yali Wang , Huaibo Huang , Xiangyu Yue , Hao Chen

Augmentation by generative modelling yields a promising alternative to the accumulation of surgical data, where ethical, organisational and regulatory aspects must be considered. Yet, the joint synthesis of (image, mask) pairs for…

计算机视觉与模式识别 · 计算机科学 2025-07-02 Yannik Frisch , Christina Bornberg , Moritz Fuchs , Anirban Mukhopadhyay

Latent diffusion models have emerged as the leading approach for generating high-quality images and videos, utilizing compressed latent representations to reduce the computational burden of the diffusion process. While recent advancements…

计算机视觉与模式识别 · 计算机科学 2025-06-10 Ivan Skorokhodov , Sharath Girish , Benran Hu , Willi Menapace , Yanyu Li , Rameen Abdal , Sergey Tulyakov , Aliaksandr Siarohin

In recent years, deep learning techniques have made significant strides in molecular generation for specific targets, driving advancements in drug discovery. However, existing molecular generation methods present significant limitations:…

机器学习 · 计算机科学 2025-03-12 Taojie Kuang , Qianli Ma , Athanasios V. Vasilakos , Yu Wang , Qiang , Cheng , Zhixiang Ren

Generative models such as Generative Adversarial Networks (GANs) and Variational Auto-Encoders (VAEs) are widely utilized to model the generative process of user interactions. However, these generative models suffer from intrinsic…

信息检索 · 计算机科学 2025-06-26 Wenjie Wang , Yiyan Xu , Fuli Feng , Xinyu Lin , Xiangnan He , Tat-Seng Chua

Compared with individual agents, large language model based multi-agent systems have shown great capabilities consistently across diverse tasks, including code generation, mathematical reasoning, and planning, etc. Despite their impressive…

人工智能 · 计算机科学 2026-05-12 Zhen Zhang , Wanjing Zhou , Juncheng Li , Hao Fei , Jun Wen , Wei Ji