Data-Driven Materials Discovery

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4 papers in the last four weeks, up 33% on the four weeks before. 0.0% of all new papers.

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  1. Topology-Stratified Materials Discovery with A Flow-Based Generative Model

    Sep 22, 2026Jingyi Zhou, Oyshee Chowdhury, Noah Oyeniran +1Crystal StructureData-Driven Materials Discovery

    Department of Aerospace Engineering and Mechanics, University of Alabama, Tuscaloosa, 35487, Alabama, United States. · Alabama Materials Institute, The University of Alabama, Tuscaloosa, 35487, Alabama, United States.

  2. OMatG-flash: An All-Atom Flow Map with Reinforce Adjoint Matching for Scalable Materials Discovery

    Sep 22, 2026Thomas Egg, Harry Winston Sullivan, Ellad B. Tadmor +1Data-Driven Materials DiscoveryCrystal Structure Prediction

    New York University · University of Minnesota

  3. Hypothesis-Driven Autonomous Materials Synthesis with Multimodal LLM Agents

    Sep 16, 2026Izumi Takahara, Kazunori Nishio, Akira Aiba +4Data-Driven Materials DiscoverySynthesis

    Institute of Industrial Science, The University of Tokyo, Tokyo 153-8505, Japan · Department of Chemistry, The University of Tokyo, Tokyo 113-0033, Japan · Rigaku Corporation, Tokyo 196-8666, Japan +1

  4. Robust and Efficient AI Frameworks for Scalable Material Design and Property Prediction

    Sep 15, 2026Kishalay DasData-Driven Materials DiscoveryCrystal

  5. Generative artificial intelligence for reliable mechanistic reasoning for corrosion

    Aug 31, 2026Bharath M N, R K Singh Raman, Alankar AlankarData-Driven Materials DiscoveryHypothesis-Driven Model Expansion

    Department of Mechanical Engineering, Indian Institute of Technology Bombay, Mumbai, Maharashtra, 400076, India · Department of Mechanical and Aerospace Engineering, Monash University, Clayton 3800, Victoria, Australia · IITB-Monash Research Academy, Mumbai, Maharashtra, 400076, India +1

  6. Learning Materials Properties from Scarce Labels and Unlabeled Crystals

    Aug 31, 2026Wentao Li, Yizhe Chen, Jiangjie Qiu +3Data-Driven Materials DiscoveryMaterials

    1Beijing Key Laboratory of Artificial Intelligence for Advanced Chemical Engineering Materials, State Key Laboratory of Chemical Engineering and Low-Carbon Technology, Department of Chemical Engineering, Tsinghua University

  7. Multitask Scanning Probe Microscopy

    Aug 10, 2026Aditya Raghavan, Yu Liu, Ian Mercer +2Electron MicroscopyMicroscopy

    University of Tennessee, Knoxville, TN, USA · 2Pennsylvania State University, University Park, PA, USA

  8. CheMLFlow: An Open-Source Platform for Cheminformatics and Materials Informatics Applications

    Aug 5, 2026Brendan Smith, Susana Lopez-Moreno, Eric Dolores-Cuenca +3Scientific WorkflowsAgentic Workflows

    Kernfield Labs, London, United Kingdom. · Department of Mathematics, Pusan National University, Republic of Korea. · Humanoid Olfactory Display Center, Pusan National University, Republic of Korea. +4

  9. Active Learning Guided Design Space Refinement for Scalable Multi-Objective Bayesian Optimization in Materials Discovery

    Aug 5, 2026Alexandros Ntagiantas, Panagiotis Tsilimidos, George Giannakopoulos +2Bayesian OptimizationData-Driven Materials Discovery

    National Centre for Scientific Research “Demokritos”

  10. Physics-Guided Generative AI for Property-Targeted 3D Porous Media Design

    Jul 27, 2026Peng WangGenerative Inverse DesignPorous Media

    Centre for Vision, Speech and Signal Processing (CVSSP), University of Surrey, Guildford, UK

  11. Cost-Aware Recovery-Pathway Identification and Bayesian Optimization for Autonomous Materials Discovery

    Jul 26, 2026Debajyoti Ray, Niranjan SrinivasMulti-Objective Bayesian Optimization AlgorithmsBayesian Optimization

    Coactive Science

  12. Generative and multimodal AI for materials prediction and design: Progress, challenges, and perspectives

    Jul 22, 2026Xianyuan Liu, Charles Anjah, Benjamin E. Jolly +9Data-Driven Materials DiscoveryMaterials Science

    School of Computer Science, University of Sheffield, Sheffield, UK · Centre for Machine Intelligence, University of Sheffield, Sheffield, UK · School of Chemical, Materials and Biological Engineering, University of Sheffield, Sheffield, UK +3

  13. Chemical filters for ultra-high-throughput materials screening and generation

    Jul 20, 2026Kinga O. Mastej, Panyalak Detrattanawichai, Hyunsoo Park +3Data-Driven Materials DiscoveryChemical Structures

    Department of Materials, Imperial College London, London SW7 2AZ, United Kingdom

  14. One-Shot Generative Design for Disordered Metamaterials via Self-Organizing Neural Cellular Automata

    Jul 16, 2026Yujie Xiang, Liwei WangMetamaterialsData-Driven Materials Discovery

    Department of Mechanical Engineering, Carnegie Mellon University, 5000 Forbes Avenue, Pittsburgh, 15213, PA, USA

  15. AutoMatBench: An Automatic Optimization Toolkit for the Acceleration of Material Properties Prediction Benchmarking

    Jul 13, 2026Hongxiao Li, Wanling GaoData-Driven Materials DiscoveryMaterials Science

    Institute of Computing Technology, Chinese Academy of Sciences, Beijing, China · University of Chinese Academy of Sciences, Beijing, China

  16. The evolution of AI from image interpretation toward scientific inference in nanoparticle electron microscopy

    Jul 11, 2026Evropi Toulkeridou, Jiafei Li, Leonardo Lari +1Electron MicroscopyMicroscopy

    Statistical Analysis and Optimal Design of Experiments Group, Department of Mathematics, University of Castilla-La Mancha, 45071 Toledo, Spain · Materials Science and Engineering, Guangdong Technion – Israel Institute of Technology, Shantou, Guangdong 515063, China · LAME Laboratory, Area Science Park Campus di Basovizza, SS14, KM163.5, 34149, Trieste, Italy +2

  17. An Autonomous Scientific Knowledge Generation Framework for AI-Driven Scientific Discovery

    Jul 9, 2026Dibakar DattaScientific DiscoveryData-Driven Materials Discovery

    Department of Mechanical and Industrial Engineering New jersey Institute of Technology (NJIT), Newark, NJ 07052, USA

  18. Reaction-network reasoning with frontier models for experimentally confirmed catalyst-selectivity hypotheses

    Jul 9, 2026Sutanay Choudhury, Anwesha Banerjee, Udishnu Sanyal +7Heterogeneous CatalysisData-Driven Materials Discovery

    Pacific Northwest National Laboratory, USA · Indian Institute of Technology, Bombay, India · Oregon State University, USA +1

  19. Bayesian Optimization of Genetic Algorithm Hyperparameters in a Multi-Fidelity Framework for Efficient Lattice Material Design

    Jul 8, 2026Sergei Zorkaltsev, Maciej Haranczyk, Christina SchenkBayesian OptimizationMulti-Fidelity

    1IMDEA Materials Institute, Eric Kandel 2, Getafe, 28906, Madrid, Spain. · Department of Materials Science and Engineering and Chemical Engineering, Universidad Carlos III de Madrid, Av. Universidad 90, Leganes, 28911, Madrid, Spain.

  20. Graph-Native Reinforcement Learning Enables Traceable Scientific Hypothesis Generation through Conceptual Recombination

    Jul 1, 2026Subhadeep Pal, Shashwat Sourav, Tirthankar Ghosal +1Reasoning GraphsHypothesis-Driven Model Expansion

    Department of Civil and Environmental Engineering MASSACHUSETTS INSTITUTE OF TECHNOLOGY Cambridge, MA, USA · Department of Physics Washington University in St. Louis St. Louis, MO, USA · Computing and Computational Sciences Directorate Oak Ridge National Laboratory Oak Ridge, TN, USA +3

  21. From Materials Database to Materials Bank: Assetizing Data for AI Driven Materials Innovation

    Jun 30, 2026Chenyao Ma, Di Zhang, Weibo Gong +9Data-Driven Materials DiscoveryMaterials Science

    Suzhou MatSource Technology Co., Ltd., Suzhou 215000, Jiangsu, China. · Advanced Institute for Materials Research (WPI-AIMR), Tohoku University, Sendai 980-8577, Japan · Frontier Research Institute for Interdisciplinary Sciences (FRIS), Tohoku University, Sendai, 980-8577, Japan +2

  22. Surrogate-Gated Generation and Foundation-Model Embeddings for Bayesian Materials Design

    Jun 26, 2026Sk Md Ahnaf Akif Alvi, Jan Janssen, Danny Perez +2Data-Driven Materials DiscoveryCrystal

    Department of Materials Science and Engineering, Texas A&M University, College Station, TX 77843, USA · Theoretical Division T-1, Los Alamos National Laboratory, Los Alamos, NM 87544, USA · Max-Planck-Institute for Sustainable Materials, Düsseldorf, Germany 40237 +3

  23. SVGym (SciVerseGym): An Environment for Reinforcement Learning and Bayesian Optimization in Crystal Discovery

    Jun 21, 2026Bin CaoCrystalData-Driven Materials Discovery

    The Hong Kong University of Science and Technology (Guangzhou), China · Huawei Noah’s Ark Lab, UK

  24. ARIA: A Causal-Aware Framework for Rescuing LLM Reasoning in Trustworthy Materials Discovery

    Jun 21, 2026Yi Cao, Liaoyaqi Wang, Jieneng Chen +3Data-Driven Materials DiscoveryLLM Reasoning Strategies

  25. Equivariant Graph Neural Networks Improve Optical Spectra Prediction for Materials Screening

    Jun 17, 2026Kasper Helverskov Petersen, François R J Cornet, Martin Ovesen +3Graph Neural NetworksLaser-Induced Breakdown Spectroscopy

    Department of Applied Mathematics and Computer Science, Technical University of Denmark, Kongens Lyngby, Denmark · Department of Physics, Technical University of Denmark, Kongens Lyngby, Denmark

  26. LLM-Guided Test-Time Discovery of Quantum-Chemical Approximation Algorithms

    Jun 17, 2026Masaya Hagai, Yuta Suzuki, Tomoya Murata +2Quantum ChemistryData-Driven Materials Discovery

    Lattice Lab, Toyota Motor Corporation · Department of Chemistry, Graduate School of Science, Nagoya University · National Institute of Informatics

  27. InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery

    Jun 15, 2026Wen-Kao Li, Ze-Feng Gao, Peng-Jie Guo +2Data-Driven Materials DiscoveryGenerative Inverse Design

    School of Physics and Key Laboratory of Quantum State Construction (Ministry of Education), Renmin University of China, Beijing 100872, China

  28. NIMO: A Software Platform for Closed-Loop Materials Exploration with Diverse AI Algorithms

    Jun 14, 2026Ryo Tamura, Naruki Yoshikawa, Koji Tsuda +1Data-Driven Materials DiscoveryLaboratory

    Center for Basic Research on Materials, National Institute for Materials Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan · Graduate School of Frontier Sciences, The University of Tokyo, 5-1-5 Kashiwa-no-ha, Kashiwa, Chiba 277-8561, Japan · Center for Green Research on Energy and Environmental Materials, National Institute for Material Science, 1-1 Namiki, Tsukuba, Ibaraki 305-0044, Japan

  29. Closed-loop discovery of out-of-distribution processing protocols by evolutionary search and uncertainty-aware learning

    Jun 11, 2026Yu Liu, Stanislav Udovenko, Ching-Che Lin +4Data-Driven Materials DiscoveryClosed Loop

    Department of Materials Science and Engineering, University of Tennessee, Knoxville, Tennessee 37996, USA · Materials Science and Engineering Department, Materials Research Institute, the Pennsylvania State University, University Park, Pennsylvania 16802, USA · Department of Materials Science and NanoEngineering, Rice University, Houston, TX 77005, USA +4

  30. A green solvent screening tool for emerging materials via uncertainty aware, transformer enhanced transfer learning

    Jun 11, 2026Ioannis Kouroudis, Simon Ternes, Zhaosu Gu +5Transferable Implicit Solvent Machine Learning PotentialData-Driven Materials Discovery

    Chair of Simulation of Nanosystems for Energy Conversion, Department of Electrical Engineering, TUM School of Computation, Information and Technology, Atomistic Modeling Center (AMC) · Munich Data Science Institute (MDSI), Technical University of Munich, Hans-Piloty-Straße 1, 85748 Garching, Germany · Institute of Structure of Matter – National Research Council Rome (ISM-CNR), via del Fosso del Cavaliere 100, Rome, 00133, RM,Italy +2

  31. GPT-Micro: A large language paradigm for accelerated, inexpensive, and thermodynamics-consistent discovery of constitutive models in manufacturing

    Jun 6, 2026Soumik Dutta, Kiarash Naghavi Khanghah, Sania Shree +4Data-Driven Materials DiscoveryMaterials

    Department of Mechanical and Aerospace Engineering, Rutgers University, USA · Department of Mechanical, Aerospace & Manufacturing Engineering, University of Connecticut, USA · Edison Welding Institute, USA +2

  32. Towards Automated Discovery: A Review of Generative Models, Multimodal Learning and Closed-Loop Workflows in Inverse Materials Design

    Jun 1, 2026Anand Babu, Rogério Almeida Gouvêa, Gian-Marco RignaneseGenerative Inverse DesignData-Driven Materials Discovery

    Institute of Condensed Matter and Nanosciences, Université Catholique de Louvain, Louvain-la-Neuve, Belgium. · WEL Research Institute, Avenue Pasteur 6, Wavre, Belgium.

  33. Self-Revising Discovery Systems for Science: A Categorical Framework for Agentic Artificial Intelligence

    May 31, 2026Fiona Y. Wang, Markus J. BuehlerAgentic DiscoveryScientific Discovery

    Laboratory for Atomistic and Molecular Mechanics Department of Biological Engineering Massachusetts Institute of Technology Cambridge, MA 02139, USA · Laboratory for Atomistic and Molecular Mechanics Department of Civil and Environmental Engineering Department of Mechanical Engineering Center for Computational Science and Engineering Schwarzman College of Computing Massachusetts Institute of Technology Cambridge, MA 02139, USA

  34. Coupling Language Models with Physics-based Simulation for Synthesis of Inorganic Materials

    May 29, 2026Edward W. Staley, Tom Arbaugh, Michael Pekala +6Data-Driven Materials DiscoverySynthesis

    Johns Hopkins Applied Physics Laboratory, Laurel, MD 20723 · Johns Hopkins University, Baltimore, MD 21218

  35. From Blind Guess to Informed Judgment: Teaching LLMs to Evaluate Materials by Building Knowledge-Augmented Preference Signals

    May 28, 2026Yeyong Yu, Wenya Hu, Xing Wu +1Data-Driven Materials DiscoveryMaterials

    School of Computer Engineering & Science, Shanghai University, Shanghai, 200444, China. · Center of Materials Informatics and Data Science, Materials Genome2026 Institute, Shanghai University, Shanghai, 200444, China. · Key Laboratory of Silicate Cultural Relics Conservation (Shanghai University), Ministry of Education, China. +1

  36. Mixing Vector Model for Copolymer Inference via Mixed Integer Linear Programming

    May 28, 2026Jianshen Zhu, Raveena Rai, Taiyo Sohkawa +4Polymer Property PredictionMolecular Property Prediction

    Department of Information Science and Technology, Tokyo University of Science, Noda 278-8510, Japan · Discrete Mathematics and Computational Intelligence Laboratory, Department of Mathematics, Quaid-i-Azam University, Islamabad 45320, Pakistan · Graduate School of Informatics, Kyoto University, Kyoto 606-8501, Japan +3

  37. MatFormBench: A Benchmarking Evaluation Framework for Target-Driven Materials Formulation

    May 26, 2026Linhan Wu, Chenxi Wang, Chuhan Yang +2Data-Driven Materials DiscoveryGenerative Inverse Design

    DeepVerse

  38. AIMBio-Mat: An AI-Native FAIR Platform for Closed-Loop Materials Discovery and Biomedical Translation

    May 20, 2026D. -M. Mei, K. Acharya, C. M. Adhikari +51Data-Driven Materials DiscoveryBiomedical

  39. Harnessing AtomisticSkills for Agentic Atomistic Research

    May 18, 2026Bowen Deng, Bohan Li, Matthew Cox +20Data-Driven Materials DiscoveryMolecular Dynamics

    Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA · Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, MA 02139, USA · Department of Chemistry, Kookmin University, Seoul 02707, Republic of Korea +5

  40. Atomistic Modeling of Chemical Disorder in Materials: Bridging Classical Methods and AI-Assisted Approaches

    May 18, 2026Jiayu Peng, Peichen ZhongData-Driven Materials DiscoveryMolecular Dynamics

    Department of Materials Design and Innovation, University at Buffalo, Buffalo, NY 14260, USA · Department of Materials Science and Engineering, National University of Singapore, Singapore 117575, Singapore

  41. Real-time Multi-instrument Autonomous Discovery of Novel Phase-change Memory Materials

    May 18, 2026Chih-Yu Lee, Haotong Liang, Ryan Kim +4Data-Driven Materials DiscoveryReram Crossbar

    Department of Materials Science and Engineering, University of Maryland, College Park, MD, USA · Materials Measurement Science, Division of the National Institute of Standards and Technology, Gaithersburg, MD, USA · Institute of Research in Electronics and Applied Physics, University of Maryland, College Park, Maryland, USA +1

  42. PRISMat: Policy-Driven, Permutation-Invariant Autoregressive Material Generation

    May 15, 2026Claire Schlesinger, Circe Hsu, Peter Schindler +1Data-Driven Materials DiscoveryPrism

    Khoury College of Computer Sciences Northeastern University Boston, MA 02115 · College of Engineering Northeastern University Boston, MA 02115

  43. Composable Crystals: Controllable Materials Discovery via Concept Learning

    May 14, 2026Nian Liu, Yuwei Zeng, Ryoji Kubo +7CrystalData-Driven Materials Discovery

    National University of Singapore · Loyola Marymount University

  44. Agentic Design of Compositional Descriptors via Autoresearch for Materials Science Applications

    May 14, 2026Matteo Cobelli, Stefano SanvitoData-Driven Materials DiscoveryMaterials Science

    School of Physics and CRANN Institute, Trinity College, Dublin 2, Dublin, Ireland.

  45. OpenAaaS: An Open Agent-as-a-Service Framework for Distributed Materials-Informatics Research

    May 13, 2026Peng Kang, Bixuan Li, Xiaoya Huang +5Data-Driven Materials DiscoveryScientific Workflows

    National Key Laboratory of AI for Materials Science Beihang University Beijing, China · Tianmushan Laboratory Beihang University Beijing, China

  46. LLM-Guided Open Hypothesis Learning from Autonomous Scanning Probe Microscopy Experiments

    May 7, 2026Boris Slautin, Utkarsh Pratiush, Yu Liu +2Hypothesis-Driven Model ExpansionData-Driven Materials Discovery

    Department of Materials Science and Engineering, University of Tennessee, Knoxville, TN 37923, USA

  47. Building informative materials datasets beyond targeted objectives

    May 6, 2026Rafael Espinosa Castañeda, Ashley Dale, Hongchen Wang +6Data-Driven Materials DiscoveryMaterials

    Department of Materials Science and Engineering, University of Toronto, Canada. · 4Vector Institute for Artificial Intelligence, Toronto, Canada. · Department of Computer Science, Princeton University +2

  48. Born-Qualified: An Autonomous Framework for Deploying Advanced Energy and Electronic Materials

    May 1, 2026Steven R. Spurgeon, Milad Abolhasani, Frederick Baddour +28Data-Driven Materials DiscoveryHydrogen System Components

    National Laboratory of the Rockies, Golden, CO, USA · Metallurgical and Materials Engineering Department, Colorado School of Mines, Golden, CO, USA · University of Colorado–Boulder, Boulder, CO, USA +10

  49. Beyond Structure: Revolutionising Materials Discovery via AI-Driven Synthesis Protocol-Property Relationships

    May 1, 2026Guillaume LambardData-Driven Materials DiscoverySynthesis

    Data-driven materials design group, Center for Basic Research on Materials (CBRM) National Institute for Materials Science (NIMS), Namiki 1-1, Tsukuba, Ibaraki, 305-0044, Japan

  50. Agentic Fusion of Large Atomic and Language Models to Accelerate Superconductor Discovery

    Apr 26, 2026Mingze Li, Yu Rong, Songyou Li +16Data-Driven Materials DiscoveryAtoms

    Gaoling School of Artificial Intelligence, Renmin University of China, Beijing, China. · DAMO Academy, Alibaba Group, Hangzhou, China. · Hupan Lab, Hangzhou, China. +2

  51. Large language model-enabled automated data extraction for concrete materials informatics

    Apr 24, 2026Zhanzhao Li, Kengran Yang, Qiyao He +1Data-Driven Materials DiscoveryLarge Language Model Pipelines

    Department of Civil and Environmental Engineering, Rice University, Houston, TX 77005, USA. · Rice Advanced Materials Institute, Rice University, Houston, TX 77005, USA. · Ken Kennedy Institute, Rice University, Houston, TX 77005, USA. +1

  52. Generative Discovery of Magnetic Insulators under Competing Physical Constraints

    Apr 22, 2026Qiulin Zeng, Tahiya Chowdhury, Md Shafayat HossainData-Driven Materials DiscoveryMagnetic Tunnel Junction

    Department of Math, University of Southern California, Los Angeles, CA, 90007 · Department of Computer Science, Colby College, Waterville, ME, 04901 · Department of Materials Science and Engineering, University of California, Los Angeles, Los Angeles, CA 90095, United States +1

  53. Expanding the extreme-k dielectric materials space through physics-validated generative reasoning

    Apr 22, 2026Hossain Hridoy, Tahiya Chowdhury, Md Shafayat HossainData-Driven Materials DiscoveryMaterials Science

    Department of Chemical Engineering, Bangladesh University of Engineering and Technology, Dhaka, Bangladesh. · Department of Computer Science, Colby College, Waterville, ME, USA. · Department of Materials Science and Engineering, University of California, Los Angeles, CA, USA. +2

  54. Predicting Scale-Up of Metal-Organic Framework Syntheses with Large Language Models

    Apr 21, 2026Peter Walther, Hongrui Sheng, Xinxin Liu +7Data-Driven Materials DiscoverySynthesis

    Department of Chemistry, Washington University, St. Louis, MO 63130, USA. · Department of Chemistry, Fudan University, Shanghai 200438, China. · Department of Computer and Information Science, University of Pennsylvania, PA 19104, USA. +2

  55. PeroMAS: A Multi-agent System of Perovskite Material Discovery

    Feb 10, 2026Yishu Wang, Wei Liu, Yifan Li +8Data-Driven Materials DiscoveryModel-Based Multi-Agent Systems

    Southeast University Nanjing, China · Sun Yat-Sen University Zhuhai, China · The Hong Kong University of Science and Technology Hong Kong, China +2

  56. AGAPI-Agents: An Open-Access Agentic AI Platform for Accelerated Materials Design on AtomGPT.org

    Dec 12, 2025Jaehyung Lee, Justin Ely, Kent Zhang +3Data-Driven Materials DiscoveryBrainagent

    Department of Materials Science and Engineering, Johns Hopkins University, Baltimore, MD 21218, USA · Department of Electrical and Computer Engineering, Johns Hopkins University, Baltimore, MD 21218, USA · Department of Physics and Astronomy, West Virginia University, Morgantown, WV 26506, USA

  57. LeMat-Synth: a multi-modal toolbox to curate broad synthesis procedure databases from scientific literature

    Oct 28, 2025Magdalena Lederbauer, Siddharth Betala, Valerie Gentzke +22Data-Driven Materials DiscoverySynthesis

    Entalpic · ENSA Lyon UMR-MAP Aria · Independent Researcher +8

  58. Learning Magnetic Order Classification from Large-Scale Materials Databases

    Sep 7, 2025Ahmed E. FahmyMagnetic Tunnel JunctionData-Driven Materials Discovery

    Department of Physics, The Ohio State University, Columbus, OH 43210, USA

  59. BEACON: A Bayesian Optimization Inspired Strategy for Efficient Novelty Search

    Jun 5, 2024Wei-Ting Tang, Ankush Chakrabarty, Joel A. PaulsonBayesian OptimizationSearch Algorithms

    University of Wisconsin-Madison, Department of Chemical and Biological Engineering, Madison, WI, USA. · The Ohio State University, Department of Chemical and Biomolecular Engineering, Columbus, OH, USA. · Insulet Corporation, Acton, MA, USA.