惯性聚合 高效追踪和阅读你感兴趣的博客、新闻、科技资讯
阅读原文 在惯性聚合中打开

推荐订阅源

J
Java Code Geeks
Jina AI
Jina AI
小众软件
小众软件
WordPress大学
WordPress大学
Last Week in AI
Last Week in AI
美团技术团队
V
V2EX
酷 壳 – CoolShell
酷 壳 – CoolShell
奇客Solidot–传递最新科技情报
奇客Solidot–传递最新科技情报
博客园 - 聂微东
博客园 - 【当耐特】
人人都是产品经理
人人都是产品经理
雷峰网
雷峰网
博客园 - 司徒正美
量子位
freeCodeCamp Programming Tutorials: Python, JavaScript, Git & More
钛媒体:引领未来商业与生活新知
钛媒体:引领未来商业与生活新知
宝玉的分享
宝玉的分享
月光博客
月光博客
IT之家
IT之家
博客园 - 三生石上(FineUI控件)
大猫的无限游戏
大猫的无限游戏
T
Tailwind CSS Blog
博客园 - Franky

cs.HC updates on arXiv.org

Quantitative Movement Testing: Measuring Patient Movements from a Single Smartphone Video Vision-Language Models Suppress Female Representations Under Ambiguous Input The New Social Image: How AI Competency and AI Proactivity Influence Self- and Peer-Perceptions in the Workplace TUX: Measuring Human--AI Tacit Understanding LLUMI: Improving LLM Writing Assistance for Mental Health Support with Online Community Feedback VideoFDB: Evaluating Full-Duplex Vision-Speech Capabilities in Conversational Agents Label Over Logic? How Source Cues Bias Human Fallacy Judgments More Than LLMs Inform, Coach, Relate, Listen: Auditing LLM Caregiving Support Roles How Coding Agents Fail Their Users: A Large-Scale Analysis of Developer-Agent Misalignment in 20,574 Real-World Sessions MetaRanker: Human-in-the-loop Active Ranking for Metalens Image Quality Analyzing Persona Effects in Generated Explanations from Multimodal LLM Agents in Urban Perception First head-to-head comparison of agentic AI applied to the analysis of simulated data of the Einstein Telescope Granuscore: A Reference-Free Measure of Granularity for Text Analysis and Question Answering The Timing Dependencies of Trust: Speed, Accuracy, and cBCI Neuro-Decoupling in Human-AI Teams Bayesian Distributional Models of Executive Functioning Visual Matters: Connecting Aesthetic Appeal and Production Quality of Photos, Infographics and Data Visualizations to Credibility of Social Media Posts Data-driven Head Motion Generation through Natural Gaze-Head Coordination Agreement Metrics for LLM-as-Judge Evaluation: What to Report and Why Perceptually Lossless Tactile Texture Synthesis with Compact Spectral Envelope Models MambaGaze: Bidirectional Mamba with Explicit Missing Data Modeling for Cognitive Load Assessment from Eye-Gaze Tracking Data CogAdapt: Transferring Clinical ECG Foundation Models to Wearable Cognitive Load Assessment via Lead Adaptation Augmented Analytics and Decision Quality: The Role of Trust among Non-Technical BI Users Faster Completion, Less Learning: Generative AI Reduced Study Time on Math Problems and the Knowledge They Build PaintCopilot: Modeling Painting as Autonomous Artistic Continuation Personality Engineering with AI Agents: A New Methodology for Negotiation Research PULSE: Agentic Investigation with Passive Sensing for Proactive Intervention in Cancer Survivorship Access Timing as Scaffolding: A Reinforcement Learning Approach to GenAI in Education Conversations in Space: Structuring Non-Linear LLM Interactions on a Canvas MAPLE: Self-Supervised Learning-Enhanced Nonlinear Dimensionality Reduction for Visual Analysis nASR: An End-to-End Trainable Neural Layer for Channel-Level EEG Artifact Subspace Reconstruction in Real-Time BCI
Preferential Multi-Objective Bayesian Optimization for Dr...
Tai Dang, Long-Hung Pham, Sang T. Truong, Ari Glenn, Wendy Nguye · 2025-03-21 · via cs.HC updates on arXiv.org

Despite decades of advancements in automated ligand screening, large-scale drug discovery remains resource-intensive and requires post-processing hit selection, a step where chemists manually select a few promising molecules based on their chemical intuition. This creates a major bottleneck in the virtual screening process for drug discovery, demanding experts to repeatedly balance complex trade-offs among drug properties across a vast pool of candidates. To improve the efficiency and reliability of this process, we propose a novel human-centered framework named CheapVS that allows chemists to guide the ligand selection process by providing preferences regarding the trade-offs between drug properties via pairwise comparison. Our framework combines preferential multi-objective Bayesian optimization with a docking model for measuring binding affinity to capture human chemical intuition for improving hit identification. Specifically, on a library of 100K chemical candidates targeting EGFR and DRD2, CheapVS outperforms state-of-the-art screening methods in identifying drugs within a limited computational budget. Notably, our method can recover up to 16/37 EGFR and 37/58 DRD2 known drugs while screening only 6% of the library, showcasing its potential to significantly advance drug discovery.