Submitted:
04 December 2024
Posted:
06 December 2024
You are already at the latest version
Abstract
Keywords:
1. Introduction
2. Literature Review
2.1. Self-Driving Lab Concepts and Development Process
2.2. Prior Research on Self-Driving Lab and Limitations
3. Materials and Methods
3.1. Data Collection
3.2. Data Preprocessing
3.3. Trend Analysis
3.4. Network Analysis
3.5. Topic Modeling Analysis
4. Results
4.1. Trend Analysis Results
4.2. Network Analysis Results
4.3. Topic Modeling Analysis Results
5. Discussions
6. Conclusions
Author Contributions
Funding
Data Availability Statement
Conflicts of Interest
References
- Garcia Martin, H.; Radivojevic, T.; Zucker, J.; Bouchard, K. E.; Sustarich, J.; Peisert, S.; Arnold, D.; Hillson, N. J.; Babnigg, G.; Martí, J. M.; Mungall, C. J.; Beckham, G. T.; Waldburger, L. M.; Carothers, J. M.; Sundaram, S.; Agarwal, D.; Simmons, B. A.; Backman, T. W. H.; Banerjee, D.; Tanjore, D.; Ramakrishnan, L.; Singh, A. Perspectives for Self-Driving Labs in Synthetic Biology. Current Opinion in Biotechnology. 2022, 79, 102881. [Google Scholar]
- Seifrid, M.; Pollice, R.; Aguilar-Granda, A.; Chan, Z. M.; Hotta, K.; Ser, C. T.; Vestfrid, J.; Wu, T. C.; Aspuru-Guzik, A. Autonomous Chemical Experiments: Challenges and Perspectives on Establishing a Self-Driving Lab. Accounts of Chemical Research. 2022, 55, 2454–2466. [Google Scholar] [CrossRef]
- Abolhasani, M.; Kumacheva, E. The Rise of Self-Driving Labs in Chemical and Materials Sciences. Nature Synthesis. 2023, 2, 483–492. [Google Scholar] [CrossRef]
- Delgado-Licona, F.; Abolhasani, M. Research Acceleration in Self-Driving Labs: Technological Roadmap toward Accelerated Materials and Molecular Discovery. Advanced intelligent systems. 2022, 5, 2200331. [Google Scholar] [CrossRef]
- Da Silva, R.G.L. The advancement of artificial intelligence in biomedical research and health innovation: challenges and opportunities in emerging economies. Global Health. 2024, 20, 44. [Google Scholar] [CrossRef]
- Hysmith, H.; Foadian, E.; Padhy, S. P.; Kalinin, S. V.; Moore, R. G.; Ovchinnikova, O.; Ahmadi, M. The Future of Self-Driving Laboratories: From Human in the Loop Interactive AI to Gamification. Digital discovery. 2024, 3, 621–636. [Google Scholar] [CrossRef]
- MacLeod, B. P.; Parlane, F. G. L.; Berlinguette, C. P. How to Build an Effective Self-Driving Laboratory. Mrs Bulletin. 2023, 48, 173–178. [Google Scholar] [CrossRef]
- Häse, F.; Roch, L. M.; Aspuru-Guzik, A. Next-Generation Experimentation with Self-Driving Laboratories. 2019, 1, 282–291.
- Lo, S.; Baird, S. G.; Schrier, J.; Blaiszik, B. J.; Carson, N.; Foster, I.; Aguilar-Granda, A.; Kalinin, S. V.; Maruyama, B.; Politi, M.; Tran, H.; Sparks, T. D.; Aspuru-Guzik, A. Review of Low-Cost Self-Driving Laboratories in Chemistry and Materials Science: The “Frugal Twin” Concept. Digital discovery. 2024, 3, 842–868. [Google Scholar] [CrossRef]
- Gutierrez, D. P.; Folkmann, L. M.; Tribukait, H.; Roch, L. M. How to Accelerate R&D and Optimize Experiment Planning with Machine Learning and Data Science. Chimia. 2023, 77, 7. [Google Scholar]
- Mabbott, G. A. Teaching Electronics and Laboratory Automation Using Microcontroller Boards. Journal of Chemical Education. 2014, 91, 1458–1463. [Google Scholar] [CrossRef]
- Rapp, J.; Bremer, B. J.; Romero, P. A. Self-Driving Laboratories to Autonomously Navigate the Protein Fitness Landscape. Nature Chemical Engineering. 2024, 1, 97–107. [Google Scholar] [CrossRef] [PubMed]
- Friedrich, R.; Block, S.; Alizadehheidari, M.; Heider, S.; Fritzsche, J.; Esbjörner, E. K.; Westerlund, F.; Bally, M.; Bally, M. A Nano Flow Cytometer for Single Lipid Vesicle Analysis. Lab on a Chip. 2017, 17, 830–841. [Google Scholar] [CrossRef]
- Ji, W.; Deng, S. Autonomous Discovery of Unknown Reaction Pathways from Data by Chemical Reaction Neural Network. Journal of Physical Chemistry A. 2021, 125, 1082–1092. [Google Scholar] [CrossRef]
- Mavoori, J.; Jackson, A.; Diorio, C. J.; Fetz, E. E. An Autonomous Implantable Computer for Neural Recording and Stimulation in Unrestrained Primates. Journal of Neuroscience Methods. 2005, 148, 71–77. [Google Scholar] [CrossRef] [PubMed]
- Janet, J. P.; Liu, F.; Nandy, A.; Duan, C.; Yang, T.; Lin, S.; Kulik, H. J. Designing in the Face of Uncertainty: Exploiting Electronic Structure and Machine Learning Models for Discovery in Inorganic Chemistry. Inorganic Chemistry. 2019, 58, 10592–10606. [Google Scholar] [CrossRef]
- Volk, A. A.; Epps, R. W.; Yonemoto, D. T.; Masters, B. S.; Castellano, F. N.; Reyes, K. G.; Abolhasani, M. AlphaFlow: Autonomous Discovery and Optimization of Multi-Step Chemistry Using a Self-Driven Fluidic Lab Guided by Reinforcement Learning. Nature Communications. 2023, 14, 1403. [Google Scholar] [CrossRef]
- Kavalsky, L.; Hegde, V.; Meredig, B.; Viswanathan, V. A Multiobjective Closed-Loop Approach Towards Autonomous Discovery of Electrocatalysts for Nitrogen Reduction. Digital discovery. 2024, 3, 999–1010. [Google Scholar] [CrossRef]
- Comina, G.; Suska, A.; Filippini, D. Autonomous Chemical Sensing Interface for Universal Cell Phone Readout. Angewandte Chemie. 2015, 54, 8708–8712. [Google Scholar] [CrossRef]
- MacLeod, B. P.; Parlane, F. G. L.; Morrissey, T. D.; Häse, F.; Roch, L. M.; Dettelbach, K. E.; Moreira, R.; Yunker, L. P. E.; Rooney, M. B.; Deeth, J. R.; Lai, V.; Ng, G. J.; Situ, H.; Zhang, R. H.; Elliott, M. S.; Haley, T. H.; Dvorak, D. J.; Aspuru-Guzik, A.; Hein, J. E.; Berlinguette, C. P. Self-Driving Laboratory for Accelerated Discovery of Thin-Film Materials. Science Advances. 2020, 6, 8867. [Google Scholar] [CrossRef]
- Bhowmik, A.; Berecibar, M.; Casas-Cabanas, M.; Csányi, G.; Dominko, R.; Hermansson, K.; Palacín, M. R.; Stein, H. S.; Vegge, T. Implications of the BATTERY 2030+ AI-Assisted Toolkit on Future Low-TRL Battery Discoveries and Chemistries. Advanced Energy Materials. 2021, 2102698. [Google Scholar] [CrossRef]
- Chmielewska-Muciek, D.; Marzec, P.; Jakubczak, J.; Futa, B. Artificial Intelligence and Developments in the Electric Power Industry—A Thematic Analysis of Corporate Communications. Sustainability. 2024, 16, 6865. [Google Scholar] [CrossRef]
- Dave, A.; Mitchell, J.; Kandasamy, K.; Wang, H.; Burke, S.; Paria, B.; Póczos, B.; Whitacre, J.; Viswanathan, V. Autonomous Discovery of Battery Electrolytes with Robotic Experimentation and Machine Learning. 2020, 1, 100264.
- Li, J.; Li, J.; Liu, R.; Tu, Y.; Li, Y.; Cheng, J.; He, T.; Zhu, X. Autonomous Discovery of Optically Active Chiral Inorganic Perovskite Nanocrystals through an Intelligent Cloud Lab. Nature Communications. 2020, 11, 2046. [Google Scholar] [CrossRef]
- Guo, R.; Sui, F.; Yue, W.; Wang, Z.; Pala, S.; Li, K.; Xu, R.; Lin, L. Deep Learning for Non-Parameterized MEMS Structural Design. Microsystems & Nanoengineering. 2022, 8, 91. [Google Scholar]
- Lin, C.-C. , Peng, Y.-C., Chang, Y.-S., & Chang, C.-H. Reentrant hybrid flow shop scheduling with stockers in automated material handling systems using deep reinforcement learning. Computers & Industrial Engineering. 2024, 189, 109995. [Google Scholar]
- Gongora, A. E.; Xu, B.; Perry, W.; Okoye, C.; Riley, P.; Reyes, K. G.; Morgan, E. F.; Brown, K. A. A Bayesian Experimental Autonomous Researcher for Mechanical Design. Science Advances. 2020, 6, 1708. [Google Scholar] [CrossRef]
- Tao, H.; Wu, T.; Kheiri, S.; Aldeghi, M.; Aspuru-Guzik, A.; Kumacheva, E. Self-Driving Platform for Metal Nanoparticle Synthesis: Combining Microfluidics and Machine Learning. Advanced Functional Materials. 2021, 31, 2106725. [Google Scholar] [CrossRef]
- Shields, B. J.; Stevens, J. M.; Li, J.; Parasram, M.; Damani, F.; Martinez Alvarado, J. I.; Janey, J. M.; Adams, R. P.; Doyle, A. G. Bayesian Reaction Optimization as a Tool for Chemical Synthesis. Nature. 2021, 590, 89–96. [Google Scholar] [CrossRef] [PubMed]
- Häse, F.; Aldeghi, M.; Hickman, R. J.; Roch, L. M.; Aspuru-Guzik, A. Gryffin: An Algorithm for Bayesian Optimization of Categorical Variables Informed by Expert Knowledge. Applied physics reviews. 2021, 8, 031406. [Google Scholar] [CrossRef]
- Roch, L. M.; Häse, F.; Kreisbeck, C.; Tamayo-Mendoza, T.; Yunker, L. P. E.; Hein, J. E.; Aspuru-Guzik, A. ChemOS: An Orchestration Software to Democratize Autonomous Discovery. PLOS ONE. 2020, 15, 1–18. [Google Scholar] [CrossRef]
- Langner, S.; Häse, F.; Perea, J. D.; Stubhan, T.; Hauch, J.; Roch, L. M.; Heumueller, T.; Aspuru-Guzik, A.; Brabec, C. J.; Brabec, C. J. Beyond Ternary OPV: High-Throughput Experimentation and Self-Driving Laboratories Optimize Multicomponent Systems. Advanced Materials. 2020, 32, 1907801. [Google Scholar] [CrossRef]
- Szymanski, N. J.; Rendy, B.; Fei, Y.; Kumar, R. E.; He, T.; Milsted, D.; McDermott, M. J.; Gallant, M.; Cubuk, E. D.; Merchant, A.; Kim, H.; Jain, A.; Bartel, C. J.; Persson, K.; Zeng, Y.; Ceder, G. An Autonomous Laboratory for the Accelerated Synthesis of Novel Materials. Nature. 2023, 624, 86–91. [Google Scholar] [CrossRef] [PubMed]
- Bai, J.; Cao, L.; Mosbach, S.; Akroyd, J.; Lapkin, A. A.; Kraft, M. From Platform to Knowledge Graph: Evolution of Laboratory Automation. JACS Au. 2022, 2, 292–309. [Google Scholar] [CrossRef]
- 35. Mongeon, P.; Paul-Hus, A. The Journal Coverage of Web of Science and Scopus: A Comparative Analysis. arXiv: Digital Libraries. 2015, 106, 213-228.
- Falagas, M. E.; Pitsouni, E.; Malietzis, G.; Pappas, G. Comparison of PubMed, Scopus, Web of Science, and Google Scholar: Strengths and Weaknesses. The FASEB Journal. 2007, 22, 338–342. [Google Scholar] [CrossRef] [PubMed]
- Shermon, D. Historical Trend Analysis Analysed. The Journal of Cost Analysis. 2011, 4, 52–62. [Google Scholar] [CrossRef]
- David, F, Feldon. The Development of Expertise in Scientific Research. Emerging Trends in the Social and Behavioral Sciences: An Interdisciplinary, Searchable, and Linkable Resource. 2011, 1, 14.
- Freeman, L. C. Centrality in Social Networks Conceptual Clarification. Social Networks. 1978, 1, 215–239. [Google Scholar] [CrossRef]
- Arsic, B.; Bojić, L.; Milentijevic, I.; Spalević, P.; Rančić, D. Symbols: Software for Social Network Analysis. 2019, 17, 205–222.
- Wolfe, A. W. Social Network Analysis: Methods and Applications. American Ethnologist. 1997, 24, 219–220. [Google Scholar] [CrossRef]
- Singh, A. Significance of Research Process in Research Work. Social Science Research Network. 2021, 30, 15. [Google Scholar] [CrossRef]
- Lee, S-S. A Content Analysis of Journal Articles Using the Language Network Analysis Methods. Journal of The Korean Society for Information Management. 2014, 31, 49–68. [Google Scholar] [CrossRef]
- Choi, Y. G.; Cho, K. T. Analysis of Safety Management Characteristics Using Network Analysis of CEO Messages in the Construction Industry. Sustainability. 2020, 12, 5771. [Google Scholar] [CrossRef]
- Mohr, J. W.; Bogdanov, P. Introduction—Topic Models: What They Are and Why They Matter. Poetics. 2013, 41, 545–569. [Google Scholar] [CrossRef]
- Jeong, D. H.; Song, M. Time Gap Analysis by the Topic Model-Based Temporal Technique. Journal of Informetrics. 2014, 8, 776–790. [Google Scholar] [CrossRef]
- Blei, D. M.; Ng, A. Y.; Jordan, M. I. Latent Dirichlet Allocation. Journal of Machine Learning Research. 2001, 3, 993–1022. [Google Scholar]
- Shi, J.; Fan, M.; Li, W.-L. Topic Analysis Based on LDA Model: Topic Analysis Based on LDA Model. Acta Automatica Sinica. 2010, 35, 1586–1592. [Google Scholar] [CrossRef]
- Akhmedov, F.; Abdusalomov, A.; Makhmudov, F.; Cho, Y. I. LDA-Based Topic Modeling Sentiment Analysis Using Topic/Document/Sentence (TDS) Model. Applied Sciences. 2021, 11, 11091. [Google Scholar]
- Yu, D.; Fang, A.; Xu, Z. Topic Research in Fuzzy Domain: Based on LDA Topic Modelling. Information Sciences. 2023, 648, 119600. [Google Scholar] [CrossRef]







| Search Formula |
|---|
| “self-driving lab" OR “self driving lab” OR “self driven lab” OR “self-driving labs” OR “self driving labs” OR “self driven labs” OR “self driving system” OR “autonomous experimentation” OR “autonomous lab” OR “autonomous discovery” OR “autonomous chemical experiment” OR ”acceleration materials platform“ |
| Additional Similar Words |
|---|
| ”self driving laboratory” OR “self driven laboratory” OR “automated lab” OR “automated experimentation” OR “lab automation” |
| Stop Words | “using,” “used,” “also,” “the,” “a,” “however,” “***,” “well” |
| Meaningless Words | “data,” “system,” “results,” “model,” “time,” “work,” “use,” “two,” “one,” “based,” “***,” “different,” “new” |
| Synonym |
|---|
| “auto”: “automated,” “autonomous,” “automation” “experiments”: “experiment,” “experimental,” “experimentation” “lab”: “laboratory,” “labs,” “laboratories” |
| Nation | Number of Publications (rate) | Nation | Number of Publications (rate) |
|---|---|---|---|
| USA | 86 (39.3%) | France | 2 (0.9%) |
| Germany | 32 (14.6%) | India | 2 (0.9%) |
| China | 14 (6.4%) | Saudi Arabia | 2 (0.9%) |
| Canada | 13 (5.9%) | Bangladesh | 1 (0.5%) |
| England | 10 (4.5%) | Russia | 1 (0.5%) |
| Australia | 9 (4.1%) | Czech Republic | 1 (0.5%) |
| Sweden | 6 (2.7%) | Pakistan | 1 (0.5%) |
| Switzerland | 6 (2.7%) | Hungary | 1 (0.5%) |
| South Korea | 5 (2.4%) | Greece | 1 (0.5%) |
| Spain | 5 (2.4%) | Belgium | 1 (0.5%) |
| Italy | 4 (1.8%) | Taiwan | 1 (0.5%) |
| Brazil | 3 (1.4%) | Thailand | 1 (0.5%) |
| Denmark | 3 (1.4%) | Ukraine | 1 (0.5%) |
| Scotland | 2 (0.9%) | Netherlands | 1 (0.5%) |
| Japan | 2 (0.9%) | Jordan | 1 (0.5%) |
| Topic | Keywords (Weights) |
|---|---|
| Topic 1 | material (0.0400), optimization (0.0314), Synthesis (0.0234), chemical (0.0177), strategies (0.0100), polymer (0.0090), bioprocess (0.0048), atomic (0.0045), gas (0.0032), reactions (0.0030) |
| Topic 2 | cell (0.0360), bioprocess (0.0103), enzyme (0.0052), extraction (0.0046), blood (0.0027), pbmcs (0.0024), susceptibility (0.0023), purification (0.0022), toxicity (0.0022), Suspension (0.0021) |
| Topic 3 | algorithm (0.0131), artificial (0.0119), ai (0.0091), database (0.0048), prediction (0.0057), Bayesian (0.0040), intelligence (0.0025), neural (0.0025), strategies (0.0023), fundamental (0.0018) |
| Topic 4 | microfluidic (0.0121), liquid (0.0078), operation (0.0057), robotic (0.0052), fabrication (0.0046), suspension (0.0042), equipment (0.0024,) sensors (0.0022), modules (0.0024), execution(0.0021) |
| Topic 5 | measurement (0.0100), reproducibility (0.0081), techniques (0.0056), engineering (0.0050), sensitivity (0.0028), electron (0.0028), architecture (0.0025), magnetic (0.0024), beam (0.0022), reliable (0.0021) |
| Author | Publication Count | Affiliations (Nation) |
|---|---|---|
| Aspuru-Guzik, Alan | 8 | University of Toronto (Canada) |
| Roch, Loic M. | 6 | Harvard University (USA) |
| Noack, Marcus M. | 6 | Lawrence Berkeley National Laboratory (USA) |
| Jesse, Stephen | 5 | Oak Ridge National Laboratory (USA) |
| Reyes, Kristofer G. | 5 | University at Buffalo (USA) |
| Hickman, Riley J. | 5 | University of Toronto (Canada) |
| Vasudevan, Rama K. | 4 | Oak Ridge National Laboratory (USA) |
| Abolhasani, Milad | 4 | North Carolina State University (USA) |
| Brown, Keith A. | 4 | Boston University (USA) |
| Kalinin, sergei V. | 3 | Oak Ridge National Laboratory (USA) |
Disclaimer/Publisher’s Note: The statements, opinions and data contained in all publications are solely those of the individual author(s) and contributor(s) and not of MDPI and/or the editor(s). MDPI and/or the editor(s) disclaim responsibility for any injury to people or property resulting from any ideas, methods, instructions or products referred to in the content. |
© 2024 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/).