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Showing 101–150 of 464 papers

TitleStatusHype
Geometric Representation Condition Improves Equivariant Molecule GenerationCode1
HSG-12M: A Large-Scale Spatial Multigraph DatasetCode1
SafeScientist: Toward Risk-Aware Scientific Discoveries by LLM AgentsCode1
Constructing Custom Thermodynamics Using Deep LearningCode1
Applications of Gaussian Processes at Extreme Lengthscales: From Molecules to Black HolesCode1
Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material ResearchCode0
Reinforcement Learning in a Physics-Inspired Semi-Markov EnvironmentCode0
PlasmoFAB: A Benchmark to Foster Machine Learning for Plasmodium falciparum Protein Antigen Candidate PredictionCode0
Physics-guided Neural Networks (PGNN): An Application in Lake Temperature ModelingCode0
APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysicsCode0
Predicting Real-time Scientific Experiments Using Transformer models and Reinforcement LearningCode0
On the Robustness of Global Feature Effect ExplanationsCode0
Capturing Structure Implicitly from Time-Series having Limited DataCode0
Can Transformers Do Enumerative Geometry?Code0
An LLM-based Knowledge Synthesis and Scientific Reasoning Framework for Biomedical DiscoveryCode0
OKRidge: Scalable Optimal k-Sparse Ridge RegressionCode0
Unsupervised Machine Learning for Scientific Discovery: Workflow and Best PracticesCode0
Causality Pursuit from Heterogeneous Environments via Neural Adversarial Invariance LearningCode0
Physics-Guided Foundation Model for Scientific Discovery: An Application to Aquatic ScienceCode0
Active Symbolic Discovery of Ordinary Differential Equations via Phase Portrait SketchingCode0
ChemNER: Fine-Grained Chemistry Named Entity Recognition with Ontology-Guided Distant SupervisionCode0
Bridging AI and Science: Implications from a Large-Scale Literature Analysis of AI4ScienceCode0
Closed-Form Interpretation of Neural Network Classifiers with Symbolic GradientsCode0
Deep learning models for predicting RNA degradation via dual crowdsourcingCode0
Automated Design of Deep Learning Methods for Biomedical Image SegmentationCode0
NEBULA: Neural Empirical Bayes Under Latent Representations for Efficient and Controllable Design of Molecular LibrariesCode0
ALINE: Joint Amortization for Bayesian Inference and Active Data AcquisitionCode0
Pruning neural network models for gene regulatory dynamics using data and domain knowledgeCode0
BoxingGym: Benchmarking Progress in Automated Experimental Design and Model DiscoveryCode0
Boolean matrix logic programming for active learning of gene functions in genome-scale metabolic network modelsCode0
MOOSE-Chem3: Toward Experiment-Guided Hypothesis Ranking via Simulated Experimental FeedbackCode0
BiomedSQL: Text-to-SQL for Scientific Reasoning on Biomedical Knowledge BasesCode0
AiSciVision: A Framework for Specializing Large Multimodal Models in Scientific Image ClassificationCode0
MolXPT: Wrapping Molecules with Text for Generative Pre-trainingCode0
OCSU: Optical Chemical Structure Understanding for Molecule-centric Scientific DiscoveryCode0
Retrieve to Explain: Evidence-driven Predictions with Language ModelsCode0
Leveraging large language models for nano synthesis mechanism explanation: solid foundations or mere conjectures?Code0
Learning to discover: expressive Gaussian mixture models for multi-dimensional simulation and parameter inference in the physical sciencesCode0
LGEM^+: a first-order logic framework for automated improvement of metabolic network models through abductionCode0
Automatic Discovery and Description of Human Planning StrategiesCode0
Automated Gadget Discovery in ScienceCode0
Interpretable Scientific Discovery with Symbolic Regression: A ReviewCode0
InterFeat: An Automated Pipeline for Finding Interesting Hypotheses in Structured Biomedical DataCode0
Interpretable models for extrapolation in scientific machine learningCode0
KnowledgeShovel: An AI-in-the-Loop Document Annotation System for Scientific Knowledge Base ConstructionCode0
Physics-tailored machine learning reveals unexpected physics in dusty plasmasCode0
Matter-of-Fact: A Benchmark for Verifying the Feasibility of Literature-Supported Claims in Materials ScienceCode0
IdeaBench: Benchmarking Large Language Models for Research Idea GenerationCode0
Integrating Chemistry Knowledge in Large Language Models via Prompt EngineeringCode0
How Deep Do Large Language Models Internalize Scientific Literature and Citation Practices?Code0
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