Scientific machine learning (SciML) employs various methods for data handling, including innovative methodological solutions for domain-specific data challenges4. It draws tools from both machine learning and scientific computing to develop scalable, domain-aware, robust, reliable, and interpretable learning and data analysis techniques4. SciML also incorporates physical laws, constraints, and domain knowledge into the learning process, ensuring adherence to scientific principles4.
The scalable AI for science landscape is being shaped by several trends, including the shift towards mixture-of-experts (MoE) models, which are sparsely connected and more cost-effective than monolithic models. Additionally, the concept of an autonomous laboratory driven by AI is gaining traction, with integrated research infrastructures (IRIs) and foundation models enabling real-time experiments and analyses. There is also a renewed interest in linear recurrent neural networks (RNNs) for their efficiency with long token lengths, and operator-based models for solving PDEs are becoming more prominent.
Parallel scaling techniques accelerate AI training by distributing the computational workload across multiple GPUs or devices. Data-parallel training divides large batches of data among GPUs, processing them simultaneously. Model-parallel training distributes different parts of the model across devices when it exceeds the memory capacity of a single GPU. These techniques reduce training time and enhance model performance, enabling faster scientific discoveries.