machine learning

Learn how the Citrine Platform accelerated reformulation of a chassis of cleansing products, reducing ingredient costs, and enabling consistency across new geographies.

The predictive capabilities of machine learning (ML) models used in materials discovery are typically measured using simple statistics such as the root-mean-square error (RMSE) or the coefficient of determination (r2) between ML-predicted materials property values and their known values. A tempting assumption is that models with low error should be effective at guiding materials discovery, […]

Data-driven models are central to scientific discovery. In efforts to achieve state-of-the-art model accuracy, researchers are employing increasingly complex machine learning algorithms that often outperform simple regressions in interpolative settings (e.g. random k-fold cross-validation) but suffer from poor extrapolation performance, portability, and human interpretability, which limits their potential for facilitating novel scientific insight. Here we […]

Accurate uncertainty estimates can significantly improve the performance of iterative design of experiments, as in sequential and reinforcement learning. For many such problems in engineering and the physical sciences, the design task depends on multiple correlated model outputs as objectives and/or constraints. To better solve these problems, we propose a recalibrated bootstrap method to generate […]

The development of transformative technologies for mitigating our global environmental and technological challenges will require significant innovation in the design, development, and manufacturing of advanced materials and chemicals. To achieve this innovation faster than what is possible by traditional human intuition-guided scientific methods, we must transition to a materials informatics-centered paradigm, in which synergies between […]

Read how the Citrine Platform was used to develop new carbon fiber process additives with local ingredients in record time.

Learn how Citrine’s AI Platform was used to rapidly screen 2500+ polymers in just 5 months. See how a new workflow was developed where researchers can now set a target and immediately receive a list of the top 10 polymers most likely to hit the target. 

Companies are thinking through the build versus buy decision on Materials Informatics platforms. This blog outlines what to think about.

Hear from Erin Antono as she describes what she likes about working at Citrine.

Materials innovation is essential to sustainability. Materials Informatics can accelerate that. To speed up adoption of MI we need both education and public research to produce FAIR data.