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Machine Learning-guided solutions for protein learning tasks have made significant headway in recent years. However, success in scientific discovery tasks is limited by the accessibility of well-defined and labeled in-domain data. To tackle…

机器学习 · 计算机科学 2023-01-06 Ria Vinod , Pin-Yu Chen , Payel Das

The task of RNA design given a target structure aims to find a sequence that can fold into that structure. It is a computationally hard problem where some version(s) have been proven to be NP-hard. As a result, heuristic methods such as…

生物大分子 · 定量生物学 2024-12-13 Wei Yu Tang , Ning Dai , Tianshuo Zhou , David H. Mathews , Liang Huang

Dynamical system models (including RNNs) often lack the ability to adapt the sequence generation or prediction to a given context, limiting their real-world application. In this paper we show that hierarchical multi-task dynamical systems…

机器学习 · 计算机科学 2019-10-14 Alex Bird , Christopher K. I. Williams

Reasoning Large Language Models (LLMs) with enhanced accuracy and explainability are increasingly being adopted in the medical domain, as the life-critical nature of clinical decision-making demands reliable support. Despite these…

计算与语言 · 计算机科学 2025-11-12 Sung-Min Lee , Siyoon Lee , Juyeon Kim , Kyoungmin Roh

RNA plays a pivotal role in diverse biological processes, ranging from gene regulation to catalysis. Recent advances in RNA design, such as RfamGen, Ribodiffusion and RDesign, have demonstrated promising results, with successful designs of…

生物大分子 · 定量生物学 2025-03-11 Letian Gao , Zhi John Lu

Controlling the degree of stylization in the Neural Style Transfer (NST) is a little tricky since it usually needs hand-engineering on hyper-parameters. In this paper, we propose the first deep Reinforcement Learning (RL) based architecture…

计算机视觉与模式识别 · 计算机科学 2024-08-15 Chengming Feng , Jing Hu , Xin Wang , Shu Hu , Bin Zhu , Xi Wu , Hongtu Zhu , Siwei Lyu

Controlling the output of Large Language Models (LLMs) through context-sensitive constraints has emerged as a promising approach to overcome the limitations of Context-Free Grammars (CFGs) in guaranteeing generation validity. However, such…

计算与语言 · 计算机科学 2026-04-14 Mohammad Albinhassan , Pranava Madhyastha , Mark Law , Alessandra Russo

Gene regulatory networks (GRNs) play a central role in cellular decision-making. Understanding their structure and how it impacts their dynamics constitutes thus a fundamental biological question. GRNs are frequently modeled as Boolean…

分子网络 · 定量生物学 2024-01-19 Claus Kadelka , Taras-Michael Butrie , Evan Hilton , Jack Kinseth , Addison Schmidt , Haris Serdarevic

Controlling the generative model to adapt a new domain with limited samples is a difficult challenge and it is receiving increasing attention. Recently, methods based on meta-learning have shown promising results for few-shot domain…

计算与语言 · 计算机科学 2023-09-07 Pengsen Cheng , Jinqiao Dai , Jiamiao Liu , Jiayong Liu , Peng Jia

Code generation, which aims to automatically generate source code from given programming requirements, has the potential to substantially improve software development efficiency. With the rapid advancement of large language models (LLMs),…

软件工程 · 计算机科学 2026-05-04 Shouyu Yin , Zhao Tian , Junjie Chen , Shikai Guo

In contemporary radiotherapy planning (RTP), a key module leaf sequencing is predominantly addressed by optimization-based approaches. In this paper, we propose a novel deep reinforcement learning (DRL) model termed as Reinforced Leaf…

机器学习 · 计算机科学 2024-06-05 Riqiang Gao , Florin C. Ghesu , Simon Arberet , Shahab Basiri , Esa Kuusela , Martin Kraus , Dorin Comaniciu , Ali Kamen

Understanding and manipulating bioelectric signaling could present a new wave of progress in developmental biology, regenerative medicine, and synthetic biology. Bioelectric signals, defined as voltage gradients across cell membranes caused…

人工智能 · 计算机科学 2025-03-20 Gonçalo Hora de Carvalho

Constrained generative modeling is fundamental to applications such as robotic control and autonomous driving, where models must respect physical laws and safety-critical constraints. In real-world settings, these constraints rarely take…

机器学习 · 计算机科学 2026-03-10 Xiaoxuan Liang , Saeid Naderiparizi , Yunpeng Liu , Berend Zwartsenberg , Frank Wood

The control of traffic signals is crucial for improving transportation efficiency. Recently, learning-based methods, especially Deep Reinforcement Learning (DRL), garnered substantial success in the quest for more efficient traffic signal…

人工智能 · 计算机科学 2025-06-18 Xiao-Cheng Liao , Yi Mei , Mengjie Zhang

Designing controllers for complex industrial electronic systems is challenging due to nonlinearities and parameter uncertainties, and traditional methods are often slow and costly. To address this, we propose a novel autonomous design…

系统与控制 · 电气工程与系统科学 2025-07-23 Chenggang Cui , Jiaming Liu , Peifeng Hui , Pengfeng Lin , Chuanlin Zhang

In many RL applications, ensuring an agent's actions adhere to constraints is crucial for safety. Most previous methods in Action-Constrained Reinforcement Learning (ACRL) employ a projection layer after the policy network to correct the…

机器学习 · 计算机科学 2025-02-18 Janaka Chathuranga Brahmanage , Jiajing Ling , Akshat Kumar

Estimating individualized treatment rules (ITRs) is fundamental to precision medicine, where the goal is to tailor treatment decisions to individual patient characteristics. While numerous methods have been developed for ITR estimation,…

统计方法学 · 统计学 2026-05-15 Eun Jeong Oh , Min Qian

Accurate gene regulatory networks can be used to explain the emergence of different phenotypes, disease mechanisms, and other biological functions. Many methods have been proposed to infer networks from gene expression data but have been…

定量方法 · 定量生物学 2018-12-11 Phan Nguyen , Rosemary Braun

Building virtual cells with generative models to simulate cellular behavior in silico is emerging as a promising paradigm for accelerating drug discovery. However, prior image-based generative approaches can produce implausible cell images…

机器学习 · 计算机科学 2026-05-22 Dongxia Wu , Shiye Su , Yuhui Zhang , Elaine Sui , Emma Lundberg , Emily B. Fox , Serena Yeung-Levy

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential…

机器学习 · 计算机科学 2023-02-10 Zaixiang Zheng , Yifan Deng , Dongyu Xue , Yi Zhou , Fei YE , Quanquan Gu