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| 34 Examples of LLM Applications in Materials Science and Chemistry: Towards Automation, Assistants, Agents, and Accelerated Scientific Discovery | May 5, 2025 | Large Language ModelMolecular Property Prediction | —Unverified | 0 |
| A Survey of Slow Thinking-based Reasoning LLMs using Reinforced Learning and Inference-time Scaling Law | May 5, 2025 | MathMedical Diagnosis | —Unverified | 0 |
| IRIS: Interactive Research Ideation System for Accelerating Scientific Discovery | Apr 23, 2025 | scientific discovery | CodeCode Available | 1 |
| AI Idea Bench 2025: AI Research Idea Generation Benchmark | Apr 19, 2025 | Benchmarkingscientific discovery | —Unverified | 0 |
| Ascribe New Dimensions to Scientific Data Visualization with VR | Apr 18, 2025 | Data Visualizationscientific discovery | —Unverified | 0 |
| Deep literature reviews: an application of fine-tuned language models to migration research | Apr 17, 2025 | Articlesscientific discovery | —Unverified | 0 |
| Causal-Copilot: An Autonomous Causal Analysis Agent | Apr 17, 2025 | Causal DiscoveryCausal Inference | —Unverified | 0 |
| HypoBench: Towards Systematic and Principled Benchmarking for Hypothesis Generation | Apr 15, 2025 | Benchmarkingscientific discovery | CodeCode Available | 2 |
| MLRC-Bench: Can Language Agents Solve Machine Learning Research Challenges? | Apr 13, 2025 | Large Language Modelscientific discovery | —Unverified | 0 |
| Scaling Laws of Graph Neural Networks for Atomistic Materials Modeling | Apr 10, 2025 | Drug Discoveryscientific discovery | —Unverified | 0 |
| The AI Scientist-v2: Workshop-Level Automated Scientific Discovery via Agentic Tree Search | Apr 10, 2025 | scientific discovery | CodeCode Available | 7 |
| The Power of the Pareto Front: Balancing Uncertain Rewards for Adaptive Experimentation in scanning probe microscopy | Apr 9, 2025 | Bayesian OptimizationDecision Making | —Unverified | 0 |
| Foundation Models for Environmental Science: A Survey of Emerging Frontiers | Apr 5, 2025 | Decision MakingManagement | —Unverified | 0 |
| The AI Cosmologist I: An Agentic System for Automated Data Analysis | Apr 4, 2025 | scientific discovery | CodeCode Available | 1 |
| We Need Improved Data Curation and Attribution in AI for Scientific Discovery | Apr 3, 2025 | scientific discovery | —Unverified | 0 |
| How Deep Do Large Language Models Internalize Scientific Literature and Citation Practices? | Apr 3, 2025 | scientific discovery | CodeCode Available | 0 |
| Advancing AI-Scientist Understanding: Making LLM Think Like a Physicist with Interpretable Reasoning | Apr 2, 2025 | scientific discovery | —Unverified | 0 |
| AI-Newton: A Concept-Driven Physical Law Discovery System without Prior Physical Knowledge | Apr 2, 2025 | scientific discovery | CodeCode Available | 2 |
| Detecting Localized Density Anomalies in Multivariate Data via Coin-Flip Statistics | Mar 31, 2025 | Anomaly DetectionComputational Efficiency | CodeCode Available | 0 |
| Towards Scientific Intelligence: A Survey of LLM-based Scientific Agents | Mar 31, 2025 | scientific discoverySurvey | —Unverified | 0 |
| Interpretable Machine Learning in Physics: A Review | Mar 30, 2025 | Interpretable Machine Learningscientific discovery | —Unverified | 0 |
| A Retrieval-Augmented Knowledge Mining Method with Deep Thinking LLMs for Biomedical Research and Clinical Support | Mar 29, 2025 | Answer GenerationArticles | —Unverified | 0 |
| Scaling Laws in Scientific Discovery with AI and Robot Scientists | Mar 28, 2025 | Navigatescientific discovery | —Unverified | 0 |
| Confidence Adjusted Surprise Measure for Active Resourceful Trials (CA-SMART): A Data-driven Active Learning Framework for Accelerating Material Discovery under Resource Constraints | Mar 27, 2025 | Active LearningBayesian Optimization | —Unverified | 0 |
| ResearchBench: Benchmarking LLMs in Scientific Discovery via Inspiration-Based Task Decomposition | Mar 27, 2025 | Benchmarkingscientific discovery | —Unverified | 0 |
| Iterative Hypothesis Generation for Scientific Discovery with Monte Carlo Nash Equilibrium Self-Refining Trees | Mar 25, 2025 | Large Language Modelscientific discovery | —Unverified | 0 |
| SCI-IDEA: Context-Aware Scientific Ideation Using Token and Sentence Embeddings | Mar 25, 2025 | scientific discoverySentence | —Unverified | 0 |
| Structuring Scientific Innovation: A Framework for Modeling and Discovering Impactful Knowledge Combinations | Mar 24, 2025 | Contrastive Learningscientific discovery | —Unverified | 0 |
| AgentRxiv: Towards Collaborative Autonomous Research | Mar 23, 2025 | Mathscientific discovery | CodeCode Available | 9 |
| Offline Model-Based Optimization: Comprehensive Review | Mar 21, 2025 | modelNeural Architecture Search | CodeCode Available | 1 |
| CodeScientist: End-to-End Semi-Automated Scientific Discovery with Code-based Experimentation | Mar 20, 2025 | Articlesscientific discovery | —Unverified | 0 |
| MicroVQA: A Multimodal Reasoning Benchmark for Microscopy-Based Scientific Research | Mar 17, 2025 | ArticlesBenchmarking | CodeCode Available | 1 |
| Lessons from the trenches on evaluating machine-learning systems in materials science | Mar 13, 2025 | scientific discovery | —Unverified | 0 |
| SciHorizon: Benchmarking AI-for-Science Readiness from Scientific Data to Large Language Models | Mar 12, 2025 | BenchmarkingFairness | —Unverified | 0 |
| Representation Retrieval Learning for Heterogeneous Data Integration | Mar 12, 2025 | Data IntegrationMulti-Task Learning | —Unverified | 0 |
| Agentic AI for Scientific Discovery: A Survey of Progress, Challenges, and Future Directions | Mar 12, 2025 | Decision Makingscientific discovery | —Unverified | 0 |
| Accelerating Earth Science Discovery via Multi-Agent LLM Systems | Mar 7, 2025 | Diversityscientific discovery | —Unverified | 0 |
| Large Language Models for Zero-shot Inference of Causal Structures in Biology | Mar 6, 2025 | Articlesscientific discovery | —Unverified | 0 |
| Building Machine Learning Challenges for Anomaly Detection in Science | Mar 3, 2025 | Anomaly Detectionscientific discovery | —Unverified | 0 |
| Enabling AI Scientists to Recognize Innovation: A Domain-Agnostic Algorithm for Assessing Novelty | Mar 3, 2025 | scientific discovery | —Unverified | 0 |
| Can Large Language Models Help Experimental Design for Causal Discovery? | Mar 3, 2025 | Causal DiscoveryExperimental Design | —Unverified | 0 |
| BixBench: a Comprehensive Benchmark for LLM-based Agents in Computational Biology | Feb 28, 2025 | Multiple-choicescientific discovery | CodeCode Available | 2 |
| CS-PaperSum: A Large-Scale Dataset of AI-Generated Summaries for Scientific Papers | Feb 27, 2025 | Information RetrievalRetrieval | —Unverified | 0 |
| Can Language Models Falsify? Evaluating Algorithmic Reasoning with Counterexample Creation | Feb 26, 2025 | Ingenuityscientific discovery | CodeCode Available | 1 |
| Towards an AI co-scientist | Feb 26, 2025 | scientific discovery | —Unverified | 0 |
| A Perspective on Symbolic Machine Learning in Physical Sciences | Feb 25, 2025 | scientific discovery | —Unverified | 0 |
| Auto-Bench: An Automated Benchmark for Scientific Discovery in LLMs | Feb 21, 2025 | scientific discoveryvalid | —Unverified | 0 |
| Protein Large Language Models: A Comprehensive Survey | Feb 21, 2025 | ArticlesProtein Structure Prediction | CodeCode Available | 2 |
| InductionBench: LLMs Fail in the Simplest Complexity Class | Feb 20, 2025 | scientific discovery | CodeCode Available | 1 |