Abstract:In the early stage of deep neural network training, the loss decreases rapidly before gradually leveling off. Extensive research has shown that during this stage, the model parameters undergo significant changes and their distribution is largely established. Existing studies suggest that the introduction of noise during early training can degrade model performance. We identify a critical "enlightenment period" encompassing up to the first 4% of the training cycle (1--20 epochs for 500-epoch training schedules), a phase characterized by intense parameter fluctuations and heightened noise sensitivity. Our findings reveal that strategically reducing noise during this brief phase--by disabling data augmentation techniques such as Mixup or removing high-loss samples--leads to statistically significant improvements in model performance. This work opens new avenues for exploring the relationship between the enlightenment period and network training dynamics across diverse model architectures and tasks.
Abstract:The prediction of chemical synthesis pathways plays a pivotal role in materials science research. Challenges, such as the complexity of synthesis pathways and the lack of comprehensive datasets, currently hinder our ability to predict these chemical processes accurately. However, recent advancements in generative artificial intelligence (GAI), including automated text generation and question-answering systems, coupled with fine-tuning techniques, have facilitated the deployment of large-scale AI models tailored to specific domains. In this study, we harness the power of the LLaMA2-7B model and enhance it through a learning process that incorporates 13,878 pieces of structured material knowledge data. This specialized AI model, named MatChat, focuses on predicting inorganic material synthesis pathways. MatChat exhibits remarkable proficiency in generating and reasoning with knowledge in materials science. Although MatChat requires further refinement to meet the diverse material design needs, this research undeniably highlights its impressive reasoning capabilities and innovative potential in the field of materials science. MatChat is now accessible online and open for use, with both the model and its application framework available as open source. This study establishes a robust foundation for collaborative innovation in the integration of generative AI in materials science.