Figure 1 from the article text. The caption reads: Schematic illustration of the three-phase validation and evaluation pipeline for crystal structure submissions in LAM Crystal Philately: pre-submission validation, random sampling quality check, and final evaluation with LAM-based energy calculations. The process includes: (1) an optional pre-submission phase, where original structures can be optimized using LAM to improve submission validity; (2) a sampling phase for quality checking the submissions; and (3) a final evaluation phase, where deduplication, scoring, and database ingestion take place.
🚨Challenges article alert!🚨
In this paper, Zhang, Wang and coworkers describe the #OpenLAMChallenges, competitions designed to benchmark #machinelearning methods and accelerate ML-driven discovery. Read the #MachineLearningScienceandTechnology article here: bit.ly/3TTlZtP 1/2