Wonho Song

Lars A. Bratholm, Will Gerrard, Brandon Anderson et al.

The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to a particular domain, it can be difficult to assess in advance what strategy to adopt within a vast space of possibilities. Here we outline the results of an online community-powered effort to swarm search the space of ML strategies and develop algorithms for predicting atomic-pairwise nuclear magnetic resonance (NMR) properties in molecules. Using an open-source dataset, we worked with Kaggle to design and host a 3-month competition which received 47,800 ML model predictions from 2,700 teams in 84 countries. Within 3 weeks, the Kaggle community produced models with comparable accuracy to our best previously published "in-house" efforts. A meta-ensemble model constructed as a linear combination of the top predictions has a prediction accuracy which exceeds that of any individual model, 7-19x better than our previous state-of-the-art. The results highlight the potential of transformer architectures for predicting quantum mechanical (QM) molecular properties.

Dahyun Kim, Chanjun Park, Sanghoon Kim et al.

We introduce SOLAR 10.7B, a large language model (LLM) with 10.7 billion parameters, demonstrating superior performance in various natural language processing (NLP) tasks. Inspired by recent efforts to efficiently up-scale LLMs, we present a method for scaling LLMs called depth up-scaling (DUS), which encompasses depthwise scaling and continued pretraining. In contrast to other LLM up-scaling methods that use mixture-of-experts, DUS does not require complex changes to train and inference efficiently. We show experimentally that DUS is simple yet effective in scaling up high-performance LLMs from small ones. Building on the DUS model, we additionally present SOLAR 10.7B-Instruct, a variant fine-tuned for instruction-following capabilities, surpassing Mixtral-8x7B-Instruct. SOLAR 10.7B is publicly available under the Apache 2.0 license, promoting broad access and application in the LLM field.