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| A Comprehensive Survey of Scientific Large Language Models and Their Applications in Scientific Discovery | Jun 16, 2024 | scientific discoverySurvey | CodeCode Available | 4 |
| Explain the Black Box for the Sake of Science: the Scientific Method in the Era of Generative Artificial Intelligence | Jun 15, 2024 | scientific discovery | —Unverified | 0 |
| On the Robustness of Global Feature Effect Explanations | Jun 13, 2024 | Diagnosticscientific discovery | CodeCode Available | 0 |
| Generative Inverse Design of Crystal Structures via Diffusion Models with Transformers | Jun 13, 2024 | scientific discovery | —Unverified | 0 |
| DISCOVERYWORLD: A Virtual Environment for Developing and Evaluating Automated Scientific Discovery Agents | Jun 10, 2024 | Benchmarkingscientific discovery | CodeCode Available | 3 |
| How Useful is Intermittent, Asynchronous Expert Feedback for Bayesian Optimization? | Jun 10, 2024 | Bayesian OptimizationBlocking | CodeCode Available | 0 |
| Flow of Reasoning:Training LLMs for Divergent Problem Solving with Minimal Examples | Jun 9, 2024 | ARCDiversity | CodeCode Available | 2 |
| Open Problem: Active Representation Learning | Jun 6, 2024 | Representation Learningscientific discovery | —Unverified | 0 |
| Expressive Symbolic Regression for Interpretable Models of Discrete-Time Dynamical Systems | Jun 5, 2024 | regressionscientific discovery | —Unverified | 0 |
| Meta-Designing Quantum Experiments with Language Models | Jun 4, 2024 | Language ModelingLanguage Modelling | —Unverified | 0 |
| BioDiscoveryAgent: An AI Agent for Designing Genetic Perturbation Experiments | May 27, 2024 | AI AgentBayesian Optimization | CodeCode Available | 2 |
| Smoke and Mirrors in Causal Downstream Tasks | May 27, 2024 | Causal InferenceRepresentation Learning | CodeCode Available | 0 |
| Learning Beyond Pattern Matching? Assaying Mathematical Understanding in LLMs | May 24, 2024 | In-Context LearningLanguage Modeling | —Unverified | 0 |
| Less for More: Enhanced Feedback-aligned Mixed LLMs for Molecule Caption Generation and Fine-Grained NLI Evaluation | May 22, 2024 | Caption GenerationHallucination | —Unverified | 0 |
| "Turing Tests" For An AI Scientist | May 22, 2024 | AI AgentData Compression | —Unverified | 0 |
| Integration of Scanning Probe Microscope with High-Performance Computing: fixed-policy and reward-driven workflows implementation | May 20, 2024 | scientific discovery | —Unverified | 0 |
| KnowledgeHub: An end-to-end Tool for Assisted Scientific Discovery | May 16, 2024 | named-entity-recognitionNamed Entity Recognition | —Unverified | 0 |
| Active Learning with Fully Bayesian Neural Networks for Discontinuous and Nonstationary Data | May 16, 2024 | Active Learningscientific discovery | CodeCode Available | 2 |
| LLM and Simulation as Bilevel Optimizers: A New Paradigm to Advance Physical Scientific Discovery | May 16, 2024 | Bilevel Optimizationscientific discovery | CodeCode Available | 2 |
| ALMol: Aligned Language-Molecule Translation LLMs through Offline Preference Contrastive Optimisation | May 14, 2024 | Hallucinationscientific discovery | —Unverified | 0 |
| Boolean matrix logic programming for active learning of gene functions in genome-scale metabolic network models | May 10, 2024 | Active LearningExperimental Design | CodeCode Available | 0 |
| Causality Pursuit from Heterogeneous Environments via Neural Adversarial Invariance Learning | May 7, 2024 | regressionscientific discovery | CodeCode Available | 0 |
| Opportunities for machine learning in scientific discovery | May 7, 2024 | scientific discovery | —Unverified | 0 |