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Tuesday, November 12, 2024

Speeding up Commercial R&D Labs with AI

A recent preprint from an economics PhD student at MIT was published [1] on his homepage earlier this week. Its an interesting read because it assessed the impact of AI tools on a very large materials science commercial R&D lab1. The major takeaways I took from the paper are:

  • Increased Output: AI tool(s) led to a significant increase in the number of new materials discovered, patent filings, and product prototypes.
  • Maintained Quality: New materials produced by AI tools meet the required standards without compromising quality.
  • Enhanced Novelty: Claim that AI tool facilitated the creation of more novel materials, patents, and products compared to those developed without AI.
  • Unequal Benefits: The benefits were not evenly distributed across scientists. Those with greater expertise and experience, particularly in evaluating potential materials, saw the most significant productivity gains.
  • Shift in Tasks: Automation of the ideation phase allowed scientists to focus more on evaluating and refining material candidates.
  • Importance of Expertise: The paper emphasizes the importance of domain knowledge, especially for assessing/refining AI-generated suggestions.

As usual with AI (hype or not), the impact and scope of the paper was discussing how AI will revolutionize the way researchers discover and develop new materials. The study highlights how AI did indeed boost such activity in a commercial R&D lab, but it was closely tied to the skills and expertise of the scientist and engineers leveraging the AI tools. The AI tools discussed assisted in the materials discovery process by allowing scientists to input desired properties with the model generating candidate compounds that are predicted to possess those properties. This interaction streamlines the research process and enhances productivity.

The papers reports that the introduction of the AI tool led to notable positive effects, including increased materials discovery, patent filings, and product prototypes. The study indicates that there was no evidence of quality compromises, but its not clearly what quality means here other than indicating that there was no sacrificing of standards. One important note, is that while the AI tool provides significant benefits, the advantages are not evenly distributed. More senior staff with expertise, particularly in materials evaluation and selection, saw the most substantial productivity gains. The most gained value comes from the perceived shift in research tasks to AI tools. This allows scientists to focus on refining candidate options rather than searching, but underscores the need for the users domain knowledge in the evaluation process.

Implications for the Future of R&D

In my opinion, theres no doubt ML/AI will be mainstays in scientific R&D, but I'm still uncertain how good current ML/AI tools are at accelerating scientific discovery, but it will undoubtedly get better. Maybe one exception is AlphaFold 32 as its success is unparalleled. I do see the tremendous value in the initial ideation phase, because many times you have a inkling of what your thinking in terms of design, but to actuate on it is often difficult because of lacking specific knowledge for a physical (i.e., material/chemical) system. With generative AI you can now more easily access such knowledge. I'm excited to see how this will all evolve as indicated by my regular post on this topic.

Probably the best visual for the impact can be seen in figure 5 (below) from the paper, which showcases how promising or impactful AI can potentially be.

Adapted from ref. [1]

In Panel A, the impact of AI tool(s) (labeled as "treatment effect" on y-axis) at the end of the study period: a 44.1% increase in new materials discoveries, 39.4% more patent filings, and 17.2% growth in product prototypes. It basically shows how the AI tools used in the commercial R&D lab fast-tracked each stage of innovation over a long period.

With Panel B we see more details in how the value is added over time. The effect on materials discovery and patents kicks in after about eight months, while product development takes a over a year to hit full stride. The data points prior to adoption of AI show where the baseline for the efforts were.Its a pretty impressive illustration of the gradual yet the impact of AI on innovation.

Its an interesting read and preprint to mull over as AI continues to enter our everyday research activities. The paper is pretty long and I didn't include all the research methodology specifics but its all there in the paper.

Footnotes


  1. The paper does not specify the company only that it was a large R&D lab. 

  2. AlphaFold 3 is a deep learning-based protein structure prediction tool that is poised to revolutionize the field of biochemistry. The lead authors of the AlphaFold paper were awarded the 2024 Nobel Prize in Chemistry for their work and it was recently released as an open source tool for non-commercial use. 

References

[1] A. Toner-Rodgers, Artificial Intelligence, Scientific Discovery, and Product Innovation, (2024). URL.


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