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| Graph Value Iteration | Sep 20, 2022 | Deep Reinforcement LearningReinforcement Learning (RL) | —Unverified | 0 |
| Quantitative probing: Validating causal models using quantitative domain knowledge | Sep 7, 2022 | scientific discovery | CodeCode Available | 1 |
| Ab-initio quantum chemistry with neural-network wavefunctions | Aug 26, 2022 | Quantizationscientific discovery | —Unverified | 0 |
| AI-coupled HPC Workflows | Aug 24, 2022 | scientific discovery | —Unverified | 0 |
| MLExchange: A web-based platform enabling exchangeable machine learning workflows for scientific studies | Aug 20, 2022 | scientific discovery | CodeCode Available | 1 |
| RIBBON: Cost-Effective and QoS-Aware Deep Learning Model Inference using a Diverse Pool of Cloud Computing Instances | Jul 23, 2022 | Bayesian OptimizationCloud Computing | —Unverified | 0 |
| DeepSNR: A deep learning foundation for offline gravitational wave detection | Jul 11, 2022 | Computational EfficiencyDeep Learning | —Unverified | 0 |
| Accelerating Material Design with the Generative Toolkit for Scientific Discovery | Jul 8, 2022 | Drug DiscoveryMaterials Screening | CodeCode Available | 2 |
| Deep Learning and Symbolic Regression for Discovering Parametric Equations | Jul 1, 2022 | BIG-bench Machine LearningDeep Learning | CodeCode Available | 1 |
| PhySRNet: Physics informed super-resolution network for application in computational solid mechanics | Jun 30, 2022 | Image Super-Resolutionscientific discovery | —Unverified | 0 |
| Rethinking Symbolic Regression Datasets and Benchmarks for Scientific Discovery | Jun 21, 2022 | regressionscientific discovery | CodeCode Available | 1 |
| AutoML Two-Sample Test | Jun 17, 2022 | AutoMLscientific discovery | CodeCode Available | 1 |
| Deep Learning Opacity in Scientific Discovery | Jun 1, 2022 | Deep Learningscientific discovery | —Unverified | 0 |
| Going From Molecules to Genomic Variations to Scientific Discovery: Intelligent Algorithms and Architectures for Intelligent Genome Analysis | May 16, 2022 | scientific discovery | CodeCode Available | 1 |
| A Computational Inflection for Scientific Discovery | May 4, 2022 | Retrievalscientific discovery | —Unverified | 0 |
| To be or not to be an Integer? Encoding Variables for Mathematical Text | May 1, 2022 | Natural Language Inferencescientific discovery | —Unverified | 0 |
| Predicting Real-time Scientific Experiments Using Transformer models and Reinforcement Learning | Apr 25, 2022 | reinforcement-learningReinforcement Learning (RL) | CodeCode Available | 0 |
| Automated Learning of Interpretable Models with Quantified Uncertainty | Apr 12, 2022 | BIG-bench Machine LearningInterpretable Machine Learning | —Unverified | 0 |
| Evaluating the Adversarial Robustness for Fourier Neural Operators | Apr 8, 2022 | Adversarial Robustnessscientific discovery | —Unverified | 0 |
| Bayesian optimization with known experimental and design constraints for chemistry applications | Mar 29, 2022 | Bayesian Optimizationscientific discovery | CodeCode Available | 1 |
| AbductionRules: Training Transformers to Explain Unexpected Inputs | Mar 23, 2022 | Common Sense ReasoningLogical Reasoning | CodeCode Available | 1 |
| Satellite Image and Machine Learning based Knowledge Extraction in the Poverty and Welfare Domain | Mar 2, 2022 | BIG-bench Machine Learningscientific discovery | —Unverified | 0 |
| From Unstructured Text to Causal Knowledge Graphs: A Transformer-Based Approach | Feb 23, 2022 | ArticlesKnowledge Graphs | —Unverified | 0 |
| Unsupervised physics-informed disentanglement of multimodal data for high-throughput scientific discovery | Feb 7, 2022 | DecoderDisentanglement | —Unverified | 0 |
| Rediscovering orbital mechanics with machine learning | Feb 4, 2022 | BIG-bench Machine LearningGraph Neural Network | —Unverified | 0 |
| AI Research Associate for Early-Stage Scientific Discovery | Feb 2, 2022 | scientific discovery | —Unverified | 0 |
| Combinatorial Scientific Discovery: Finding New Concept Combinations Beyond Link Prediction | Jan 16, 2022 | Link PredictionPrediction | —Unverified | 0 |
| Reproducible, incremental representation learning with Rosetta VAE | Jan 13, 2022 | Representation Learningscientific discovery | —Unverified | 0 |
| Uniform-in-Phase-Space Data Selection with Iterative Normalizing Flows | Dec 28, 2021 | Data CompressionDimensionality Reduction | CodeCode Available | 0 |
| Scientific Discovery and the Cost of Measurement -- Balancing Information and Cost in Reinforcement Learning | Dec 14, 2021 | Reinforcement Learning (RL)scientific discovery | —Unverified | 0 |
| Simulation Intelligence: Towards a New Generation of Scientific Methods | Dec 6, 2021 | Probabilistic Programmingscientific discovery | —Unverified | 0 |
| Learning from learning machines: a new generation of AI technology to meet the needs of science | Nov 27, 2021 | scientific discovery | —Unverified | 0 |
| From Kepler to Newton: Explainable AI for Science | Nov 24, 2021 | scientific discovery | —Unverified | 0 |
| AbductionRules: Training Transformers to Explain Unexpected Inputs | Nov 16, 2021 | Common Sense ReasoningLogical Reasoning | —Unverified | 0 |
| ChemNER: Fine-Grained Chemistry Named Entity Recognition with Ontology-Guided Distant Supervision | Nov 1, 2021 | named-entity-recognitionNamed Entity Recognition | CodeCode Available | 0 |
| Interpretable and Explainable Machine Learning for Materials Science and Chemistry | Nov 1, 2021 | BIG-bench Machine LearningInterpretable Machine Learning | —Unverified | 0 |
| RZiMM-scRNA: A regularized zero-inflated mixture model framework for single-cell RNA-seq data | Oct 25, 2021 | Clusteringscientific discovery | —Unverified | 0 |
| Applications and Techniques for Fast Machine Learning in Science | Oct 25, 2021 | BIG-bench Machine Learningscientific discovery | —Unverified | 0 |
| Learning quantum dynamics with latent neural ODEs | Oct 20, 2021 | scientific discovery | CodeCode Available | 1 |
| Deep learning models for predicting RNA degradation via dual crowdsourcing | Oct 14, 2021 | Data AugmentationDeep Learning | CodeCode Available | 0 |
| A Field Guide to Scientific XAI: Transparent and Interpretable Deep Learning for Bioinformatics Research | Oct 13, 2021 | Deep LearningExplainable Artificial Intelligence (XAI) | —Unverified | 0 |
| Molformer: Motif-based Transformer on 3D Heterogeneous Molecular Graphs | Oct 4, 2021 | 3D geometrygraph construction | CodeCode Available | 1 |
| Fast Generic Interaction Detection for Model Interpretability and Compression | Sep 29, 2021 | Deep Learningscientific discovery | —Unverified | 0 |
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| Automatic Discovery and Description of Human Planning Strategies | Sep 29, 2021 | Imitation LearningIngenuity | CodeCode Available | 0 |
| Towards trustworthy explanations with gradient-based attribution methods | Sep 24, 2021 | Feature ImportanceModel Selection | —Unverified | 0 |
| Scientific Argument with Supervised Learning | Sep 24, 2021 | BIG-bench Machine Learningscientific discovery | —Unverified | 0 |
| A Computable Piece of Uncomputable Art whose Expansion May Explain the Universe in Software Space | Sep 15, 2021 | NavigatePhilosophy | —Unverified | 0 |
| Secondary control activation analysed and predicted with explainable AI | Sep 10, 2021 | BIG-bench Machine Learningscientific discovery | CodeCode Available | 0 |