| Towards Explainable Artificial Intelligence (XAI): A Data Mining Perspective | Jan 9, 2024 | Data ValuationDecision Making | —Unverified | 0 |
| A Novel Paradigm for Neural Computation: X-Net with Learnable Neurons and Adaptable Structure | Jan 3, 2024 | scientific discovery | —Unverified | 0 |
| Beyond Regrets: Geometric Metrics for Bayesian Optimization | Jan 3, 2024 | Bayesian OptimizationExperimental Design | —Unverified | 0 |
| FISBe: A Real-World Benchmark Dataset for Instance Segmentation of Long-Range Thin Filamentous Structures | Jan 1, 2024 | BenchmarkingInstance Segmentation | —Unverified | 0 |
| GraphGPT: Graph Learning with Generative Pre-trained Transformers | Dec 31, 2023 | DecoderGraph Learning | CodeCode Available | 1 |
| Deep Generative Symbolic Regression | Dec 30, 2023 | FormHeuristic Search | CodeCode Available | 1 |
| Vertical Symbolic Regression | Dec 19, 2023 | regressionscientific discovery | —Unverified | 0 |
| Harnessing Retrieval-Augmented Generation (RAG) for Uncovering Knowledge Gaps | Dec 12, 2023 | Information RetrievalRAG | CodeCode Available | 0 |
| Image and Data Mining in Reticular Chemistry Using GPT-4V | Dec 9, 2023 | ArticlesLanguage Modelling | —Unverified | 0 |
| AI Competitions and Benchmarks: The life cycle of challenges and benchmarks | Dec 8, 2023 | scientific discovery | —Unverified | 0 |
| A Transformer Model for Symbolic Regression towards Scientific Discovery | Dec 7, 2023 | regressionscientific discovery | CodeCode Available | 1 |
| Dyport: Dynamic Importance-based Hypothesis Generation Benchmarking Technique | Dec 6, 2023 | BenchmarkingKnowledge Graphs | CodeCode Available | 0 |
| Uncertainty in Additive Feature Attribution methods | Nov 29, 2023 | scientific discovery | —Unverified | 0 |
| Machine-Guided Discovery of a Real-World Rogue Wave Model | Nov 21, 2023 | Model Selectionregression | CodeCode Available | 1 |
| Chemist-X: Large Language Model-empowered Agent for Reaction Condition Recommendation in Chemical Synthesis | Nov 16, 2023 | AI AgentContrastive Learning | —Unverified | 0 |
| The Impact of Large Language Models on Scientific Discovery: a Preliminary Study using GPT-4 | Nov 13, 2023 | Computational chemistryDrug Discovery | —Unverified | 0 |
| Large Language Models are Zero Shot Hypothesis Proposers | Nov 10, 2023 | scientific discovery | CodeCode Available | 1 |
| Modelling Cellular Perturbations with the Sparse Additive Mechanism Shift Variational Autoencoder | Nov 5, 2023 | DisentanglementDrug Discovery | CodeCode Available | 1 |
| Data Science for Social Good | Nov 2, 2023 | Articlesscientific discovery | —Unverified | 0 |
| Enhancing Low-Order Discontinuous Galerkin Methods with Neural Ordinary Differential Equations for Compressible Navier--Stokes Equations | Oct 29, 2023 | scientific discovery | —Unverified | 0 |
| AI for Open Science: A Multi-Agent Perspective for Ethically Translating Data to Knowledge | Oct 28, 2023 | scientific discoveryTranslation | —Unverified | 0 |
| Large-scale Foundation Models and Generative AI for BigData Neuroscience | Oct 27, 2023 | Data AugmentationNatural Language Understanding | —Unverified | 0 |
| Sum-of-Parts: Faithful Attributions for Groups of Features | Oct 25, 2023 | Decision Makingscientific discovery | CodeCode Available | 0 |
| Large Language Models for Scientific Synthesis, Inference and Explanation | Oct 12, 2023 | Code GenerationLanguage Modeling | CodeCode Available | 1 |
| Transformers and Large Language Models for Chemistry and Drug Discovery | Oct 9, 2023 | Drug DiscoveryLanguage Modeling | —Unverified | 0 |
| Physics-tailored machine learning reveals unexpected physics in dusty plasmas | Oct 8, 2023 | Physical Intuitionscientific discovery | CodeCode Available | 0 |
| A Comprehensive Performance Study of Large Language Models on Novel AI Accelerators | Oct 6, 2023 | scientific discovery | —Unverified | 0 |
| DeepSpeed4Science Initiative: Enabling Large-Scale Scientific Discovery through Sophisticated AI System Technologies | Oct 6, 2023 | scientific discovery | —Unverified | 0 |
| BrainSCUBA: Fine-Grained Natural Language Captions of Visual Cortex Selectivity | Oct 6, 2023 | Image GenerationLanguage Modeling | —Unverified | 0 |
| Pre-Training and Fine-Tuning Generative Flow Networks | Oct 5, 2023 | scientific discoveryUnsupervised Pre-training | —Unverified | 0 |
| Knowledge Graphs for the Life Sciences: Recent Developments, Challenges and Opportunities | Sep 29, 2023 | Knowledge GraphsManagement | —Unverified | 0 |
| Neural Operators for Accelerating Scientific Simulations and Design | Sep 27, 2023 | scientific discoverySuper-Resolution | —Unverified | 0 |
| DeepROCK: Error-controlled interaction detection in deep neural networks | Sep 26, 2023 | scientific discovery | —Unverified | 0 |
| End-to-end Phase Field Model Discovery Combining Experimentation, Crowdsourcing, Simulation and Learning | Sep 13, 2023 | Model Discoveryscientific discovery | —Unverified | 0 |
| Efficient Learning of PDEs via Taylor Expansion and Sparse Decomposition into Value and Fourier Domains | Sep 13, 2023 | scientific discovery | —Unverified | 0 |
| Deep Quantum Graph Dreaming: Deciphering Neural Network Insights into Quantum Experiments | Sep 13, 2023 | scientific discovery | CodeCode Available | 0 |
| Inferring physical laws by artificial intelligence based causal models | Sep 8, 2023 | Causal Inferencescientific discovery | —Unverified | 0 |
| Breaking Boundaries: Distributed Domain Decomposition with Scalable Physics-Informed Neural PDE Solvers | Aug 28, 2023 | scientific discovery | —Unverified | 0 |
| Genomic reproducibility in the bioinformatics era | Aug 18, 2023 | scientific discovery | —Unverified | 0 |
| Evolving Scientific Discovery by Unifying Data and Background Knowledge with AI Hilbert | Aug 18, 2023 | Equation DiscoveryLogical Reasoning | CodeCode Available | 1 |
| Towards Lightweight Data Integration using Multi-workflow Provenance and Data Observability | Aug 17, 2023 | CPUData Integration | CodeCode Available | 1 |
| Serendipity in Science | Aug 15, 2023 | scientific discovery | —Unverified | 0 |
| APACE: AlphaFold2 and advanced computing as a service for accelerated discovery in biophysics | Aug 15, 2023 | Drug DiscoveryPrediction | CodeCode Available | 0 |
| Probabilistic Phase Labeling and Lattice Refinement for Autonomous Material Research | Aug 15, 2023 | scientific discoveryX-Ray Diffraction (XRD) | CodeCode Available | 0 |
| Constructing Custom Thermodynamics Using Deep Learning | Aug 8, 2023 | Deep LearningPhysical Intuition | CodeCode Available | 1 |
| Large-scale Generative Simulation Artificial Intelligence: the Next Hotspot in Generative AI | Aug 3, 2023 | scientific discovery | —Unverified | 0 |
| Towards Generalist Biomedical AI | Jul 26, 2023 | Medical Question AnsweringQuestion Answering | —Unverified | 0 |
| Representation Learning in Anomaly Detection: Successes, Limits and a Grand Challenge | Jul 20, 2023 | Anomaly DetectionRepresentation Learning | —Unverified | 0 |
| The Future of Fundamental Science Led by Generative Closed-Loop Artificial Intelligence | Jul 9, 2023 | Model Discoveryscientific discovery | —Unverified | 0 |
| Better Research Software Tools to Elevate the Rate of Scientific Discovery -- or why we need to invest in research software engineering | Jul 8, 2023 | scientific discovery | —Unverified | 0 |