He Ma

He Ma, Arunachalam Narayanaswamy, Patrick Riley et al.

Systematic development of accurate density functionals has been a decades-long challenge for scientists. Despite the emerging application of machine learning (ML) in approximating functionals, the resulting ML functionals usually contain more than tens of thousands parameters, which makes a huge gap in the formulation with the conventional human-designed symbolic functionals. We propose a new framework, Symbolic Functional Evolutionary Search (SyFES), that automatically constructs accurate functionals in the symbolic form, which is more explainable to humans, cheaper to evaluate, and easier to integrate to existing density functional theory codes than other ML functionals. We first show that without prior knowledge, SyFES reconstructed a known functional from scratch. We then demonstrate that evolving from an existing functional $ω$B97M-V, SyFES found a new functional, GAS22 (Google Accelerated Science 22), that performs better for the majority of molecular types in the test set of Main Group Chemistry Database (MGCDB84). Our framework opens a new direction in leveraging computing power for the systematic development of symbolic density functionals.

Ruining He, Lukasz Heldt, Lichan Hong et al.

Large Language Models (LLMs) pose a new paradigm of modeling and computation for information tasks. Recommendation systems are a critical application domain poised to benefit significantly from the sequence modeling capabilities and world knowledge inherent in these large models. In this paper, we introduce PLUM, a framework designed to adapt pre-trained LLMs for industry-scale recommendation tasks. PLUM consists of item tokenization using Semantic IDs, continued pre-training (CPT) on domain-specific data, and task-specific fine-tuning for recommendation objectives. For fine-tuning, we focus particularly on generative retrieval, where the model is directly trained to generate Semantic IDs of recommended items based on user context. We conduct comprehensive experiments on large-scale internal video recommendation datasets. Our results demonstrate that PLUM achieves substantial improvements for retrieval compared to a heavily-optimized production model built with large embedding tables. We also present a scaling study for the model's retrieval performance, our learnings about CPT, a few enhancements to Semantic IDs, along with an overview of the training and inference methods that enable launching this framework to billions of users in YouTube.