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

The GitHub Blog
The GitHub Blog
Jina AI
Jina AI
月光博客
月光博客
博客园 - Franky
小众软件
小众软件
奇客Solidot–传递最新科技情报
奇客Solidot–传递最新科技情报
V
Visual Studio Blog
有赞技术团队
有赞技术团队
V
V2EX
IT之家
IT之家
阮一峰的网络日志
阮一峰的网络日志
Stack Overflow Blog
Stack Overflow Blog
H
Help Net Security
Apple Machine Learning Research
Apple Machine Learning Research
腾讯CDC
D
DataBreaches.Net
Hugging Face - Blog
Hugging Face - Blog
Martin Fowler
Martin Fowler
罗磊的独立博客
OSCHINA 社区最新新闻
OSCHINA 社区最新新闻
WordPress大学
WordPress大学
C
Check Point Blog
Microsoft Azure Blog
Microsoft Azure Blog
Microsoft Security Blog
Microsoft Security Blog

cs.AI updates on arXiv.org

Policy Split: Incentivizing Dual-Mode Exploration in LLM Reinforcement with Dual-Mode Entropy Regularization METER: Evaluating Multi-Level Contextual Causal Reasoning in Large Language Models Think Before you Write: QA-Guided Reasoning for Character Descriptions in Books METRO: Towards Strategy Induction from Expert Dialogue Transcripts for Non-collaborative Dialogues Retrieval as Generation: A Unified Framework with Self-Triggered Information Planning Do LLMs Know Tool Irrelevance? Demystifying Structural Alignment Bias in Tool Invocations Enhancing Multimodal Large Language Models for Ancient Chinese Character Evolution Analysis via Glyph-Driven Fine-Tuning Exploring Knowledge Conflicts for Faithful LLM Reasoning: Benchmark and Method CocoaBench: Evaluating Unified Digital Agents in the Wild MathAgent: Adversarial Evolution of Constraint Graphs for Mathematical Reasoning Data Synthesis Efficient Training for Cross-lingual Speech Language Models Shared Emotion Geometry Across Small Language Models: A Cross-Architecture Study of Representation, Behavior, and Methodological Confounds A Systematic Analysis of the Impact of Persona Steering on LLM Capabilities Uncertainty-Aware Web-Conditioned Scientific Fact-Checking When Valid Signals Fail: Regime Boundaries Between LLM Features and RL Trading Policies When Verification Fails: How Compositionally Infeasible Claims Escape Rejection Mem$^2$Evolve: Towards Self-Evolving Agents via Co-Evolutionary Capability Expansion and Experience Distillation AOP-Smart: A RAG-Enhanced Large Language Model Framework for Adverse Outcome Pathway Analysis Advancing Polish Language Modeling through Tokenizer Optimization in the Bielik v3 7B and 11B Series TInR: Exploring Tool-Internalized Reasoning in Large Language Models Do BERT Embeddings Encode Narrative Dimensions? A Token-Level Probing Analysis of Time, Space, Causality, and Character in Fiction Generating Multiple-Choice Knowledge Questions with Interpretable Difficulty Estimation using Knowledge Graphs and Large Language Models Deep-Reporter: Deep Research for Grounded Multimodal Long-Form Generation Too Nice to Tell the Truth: Quantifying Agreeableness-Driven Sycophancy in Role-Playing Language Models Learning and Enforcing Context-Sensitive Control for LLMs Efficient Process Reward Modeling via Contrastive Mutual Information Computational Lesions in Multilingual Language Models Separate Shared and Language-specific Brain Alignment Bridging Linguistic Gaps: Cross-Lingual Mapping in Pre-Training and Dataset for Enhanced Multilingual LLM Performance Early Decisions Matter: Proximity Bias and Initial Trajectory Shaping in Non-Autoregressive Diffusion Language Models LLMs Should Incorporate Explicit Mechanisms for Human Empathy
DPD-Cancer: Explainable Graph-Based Deep Learning for Sma...
Magnus H. Strømme, Alex G. C. de Sá, David B. Ascher · 2026-03-27 · via cs.AI updates on arXiv.org

DPD-Cancer is a graph-attention deep learning framework for predicting small-molecule DPD-Cancer is a graph-attention deep learning framework for predicting small-molecule anti-cancer activity across the NCI-60 panel, trained and evaluated under a strict chemistry-aware data-partitioning scheme. On the hold-out test set, the classifier achieved an Area Under the Receiver Operating Characteristic Curve (AUROC) of 0.87 (95% CI [0.86, 0.88]) and Area Under the Precision-Recall Curve (AUPRC) of 0.73 (95% CI [0.70, 0.76]); per-cell-line regression models for 73 cell lines produced a median Pearson's Correlation Coefficient (Pearson's R) of 0.64 and median Root Mean Squared Error (RMSE) of 0.67 for pGI50-value prediction. Benchmarks against pdCSM-Cancer, MLASM, and ACLPred under matched data conditions yielded consistently higher Matthew's Correlation Coefficient (MCC) scores, an occlusion-based attribution analysis confirmed that model explanations were quantitatively faithful to classifier decisions, and an applicability-domain analysis characterised reliability as a function of chemical distance. To facilitate widespread adoption, DPD-Cancer is available as a free, user-friendly web server for unrestricted use at https://biosig.lab.uq.edu.au/dpd_cancer/.