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| OlympicArena: Benchmarking Multi-discipline Cognitive Reasoning for Superintelligent AI | Jun 18, 2024 | Benchmarkingscientific discovery | CodeCode Available | 2 |
| 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 |
| Accelerating Legacy Numerical Solvers by Non-intrusive Gradient-based Meta-solving | May 5, 2024 | Meta-Learningscientific discovery | —Unverified | 0 |
| Why Tabular Foundation Models Should Be a Research Priority | May 2, 2024 | scientific discovery | —Unverified | 0 |
| Generative Active Learning for the Search of Small-molecule Protein Binders | May 2, 2024 | Active LearningDeep Reinforcement Learning | —Unverified | 0 |
| LLM-SR: Scientific Equation Discovery via Programming with Large Language Models | Apr 29, 2024 | Equation DiscoveryInterpretable Machine Learning | CodeCode Available | 1 |
| Autonomous LLM-driven research from data to human-verifiable research papers | Apr 24, 2024 | scientific discovery | CodeCode Available | 4 |
| Integrating Chemistry Knowledge in Large Language Models via Prompt Engineering | Apr 22, 2024 | HallucinationPrompt Engineering | CodeCode Available | 0 |
| Shape Arithmetic Expressions: Advancing Scientific Discovery Beyond Closed-Form Equations | Apr 15, 2024 | Additive modelsForm | CodeCode Available | 0 |
| Accelerating Scientific Discovery with Generative Knowledge Extraction, Graph-Based Representation, and Multimodal Intelligent Graph Reasoning | Mar 18, 2024 | Graph SamplingKnowledge Graphs | CodeCode Available | 3 |
| Conditional computation in neural networks: principles and research trends | Mar 12, 2024 | Mixture-of-Expertsscientific discovery | —Unverified | 0 |
| Pruning neural network models for gene regulatory dynamics using data and domain knowledge | Mar 5, 2024 | General KnowledgeNetwork Pruning | CodeCode Available | 0 |
| Seeing Unseen: Discover Novel Biomedical Concepts via Geometry-Constrained Probabilistic Modeling | Mar 2, 2024 | Computational EfficiencyNovel Class Discovery | —Unverified | 0 |
| Data-driven Discovery with Large Generative Models | Feb 21, 2024 | scientific discovery | —Unverified | 0 |
| Virtual Reality for Understanding Artificial-Intelligence-driven Scientific Discovery with an Application in Quantum Optics | Feb 20, 2024 | scientific discovery | CodeCode Available | 0 |
| Quantitative causality, causality-guided scientific discovery, and causal machine learning | Feb 20, 2024 | scientific discovery | —Unverified | 0 |
| Toward a Team of AI-made Scientists for Scientific Discovery from Gene Expression Data | Feb 15, 2024 | Language ModelingLanguage Modelling | —Unverified | 0 |
| Multi-Fidelity Methods for Optimization: A Survey | Feb 15, 2024 | BenchmarkingComputational Efficiency | —Unverified | 0 |
| Retrieve to Explain: Evidence-driven Predictions with Language Models | Feb 6, 2024 | AttributeLanguage Modelling | CodeCode Available | 0 |
| Trillion Parameter AI Serving Infrastructure for Scientific Discovery: A Survey and Vision | Feb 5, 2024 | scientific discovery | —Unverified | 0 |
| Institutional Platform for Secure Self-Service Large Language Model Exploration | Feb 1, 2024 | Language ModelingLanguage Modelling | —Unverified | 0 |
| Diverse Explanations From Data-Driven and Domain-Driven Perspectives in the Physical Sciences | Feb 1, 2024 | DiversityExplainable artificial intelligence | CodeCode Available | 0 |
| Scientific Large Language Models: A Survey on Biological & Chemical Domains | Jan 26, 2024 | scientific discoverySurvey | CodeCode Available | 3 |
| Interactive Mars Image Content-Based Search with Interpretable Machine Learning | Jan 19, 2024 | DiversityInterpretable Machine Learning | —Unverified | 0 |
| PubTator 3.0: an AI-powered Literature Resource for Unlocking Biomedical Knowledge | Jan 19, 2024 | ArticlesNavigate | —Unverified | 0 |
| SciInstruct: a Self-Reflective Instruction Annotated Dataset for Training Scientific Language Models | Jan 15, 2024 | MathMathematical Reasoning | CodeCode Available | 2 |
| Closed-Form Interpretation of Neural Network Classifiers with Symbolic Gradients | Jan 10, 2024 | Formregression | CodeCode Available | 0 |