Hierarchical Reinforcement Learning in Complex 3D Environments

Hierarchical Reinforcement Learning (HRL) agents have the potential to demonstrate appealing capabilities such as planning and exploration with abstraction, transfer, and skill reuse. Recent successes with HRL across different domains provide evidence that practical, effective HRL agents are possible, even if existing agents do not yet fully realize the potential of HRL. Despite these successes, visually complex partially observable 3D environments remained a challenge for HRL agents. We address this issue with Hierarchical Hybrid Offline-Online (H2O2), a hierarchical deep reinforcement learning agent that discovers and learns to use options from scratch using its own experience. We show that H2O2 is competitive with a strong non-hierarchical Muesli baseline in the DeepMind Hard Eight tasks and we shed new light on the problem of learning hierarchical agents in complex environments. Our empirical study of H2O2 reveals previously unnoticed practical challenges and brings new perspective to the current understanding of hierarchical agents in complex domains.

Large-scale graph representation learning with very deep GNNs and self-supervision

Effectively and efficiently deploying graph neural networks (GNNs) at scale remains one of the most challenging aspects of graph representation learning. Many powerful solutions have only ever been validated on comparatively small datasets, often with counter-intuitive outcomes -- a barrier which has been broken by the Open Graph Benchmark Large-Scale Challenge (OGB-LSC). We entered the OGB-LSC with two large-scale GNNs: a deep transductive node classifier powered by bootstrapping, and a very deep (up to 50-layer) inductive graph regressor regularised by denoising objectives. Our models achieved an award-level (top-3) performance on both the MAG240M and PCQM4M benchmarks. In doing so, we demonstrate evidence of scalable self-supervised graph representation learning, and utility of very deep GNNs -- both very important open issues. Our code is publicly available at: https://github.com/deepmind/deepmind-research/tree/master/ogb_lsc.

Podracer architectures for scalable Reinforcement Learning

Supporting state-of-the-art AI research requires balancing rapid prototyping, ease of use, and quick iteration, with the ability to deploy experiments at a scale traditionally associated with production systems.Deep learning frameworks such as TensorFlow, PyTorch and JAX allow users to transparently make use of accelerators, such as TPUs and GPUs, to offload the more computationally intensive parts of training and inference in modern deep learning systems. Popular training pipelines that use these frameworks for deep learning typically focus on (un-)supervised learning. How to best train reinforcement learning (RL) agents at scale is still an active research area. In this report we argue that TPUs are particularly well suited for training RL agents in a scalable, efficient and reproducible way. Specifically we describe two architectures designed to make the best use of the resources available on a TPU Pod (a special configuration in a Google data center that features multiple TPU devices connected to each other by extremely low latency communication channels).

Solving Mixed Integer Programs Using Neural Networks

Mixed Integer Programming (MIP) solvers rely on an array of sophisticated heuristics developed with decades of research to solve large-scale MIP instances encountered in practice. Machine learning offers to automatically construct better heuristics from data by exploiting shared structure among instances in the data. This paper applies learning to the two key sub-tasks of a MIP solver, generating a high-quality joint variable assignment, and bounding the gap in objective value between that assignment and an optimal one. Our approach constructs two corresponding neural network-based components, Neural Diving and Neural Branching, to use in a base MIP solver such as SCIP. Neural Diving learns a deep neural network to generate multiple partial assignments for its integer variables, and the resulting smaller MIPs for un-assigned variables are solved with SCIP to construct high quality joint assignments. Neural Branching learns a deep neural network to make variable selection decisions in branch-and-bound to bound the objective value gap with a small tree. This is done by imitating a new variant of Full Strong Branching we propose that scales to large instances using GPUs. We evaluate our approach on six diverse real-world datasets, including two Google production datasets and MIPLIB, by training separate neural networks on each. Most instances in all the datasets combined have $10^3-10^6$ variables and constraints after presolve, which is significantly larger than previous learning approaches. Comparing solvers with respect to primal-dual gap averaged over a held-out set of instances, the learning-augmented SCIP is 2x to 10x better on all datasets except one on which it is $10^5$x better, at large time limits. To the best of our knowledge, ours is the first learning approach to demonstrate such large improvements over SCIP on both large-scale real-world application datasets and MIPLIB.

Machine Learning in High Energy Physics Community White Paper

Machine learning is an important research area in particle physics, beginning with applications to high-level physics analysis in the 1990s and 2000s, followed by an explosion of applications in particle and event identification and reconstruction in the 2010s. In this document we discuss promising future research and development areas in machine learning in particle physics with a roadmap for their implementation, software and hardware resource requirements, collaborative initiatives with the data science community, academia and industry, and training the particle physics community in data science. The main objective of the document is to connect and motivate these areas of research and development with the physics drivers of the High-Luminosity Large Hadron Collider and future neutrino experiments and identify the resource needs for their implementation. Additionally we identify areas where collaboration with external communities will be of great benefit.

FastBDT: A speed-optimized and cache-friendly implementation of stochastic gradient-boosted decision trees for multivariate classification

Stochastic gradient-boosted decision trees are widely employed for multivariate classification and regression tasks. This paper presents a speed-optimized and cache-friendly implementation for multivariate classification called FastBDT. FastBDT is one order of magnitude faster during the fitting-phase and application-phase, in comparison with popular implementations in software frameworks like TMVA, scikit-learn and XGBoost. The concepts used to optimize the execution time and performance studies are discussed in detail in this paper. The key ideas include: An equal-frequency binning on the input data, which allows replacing expensive floating-point with integer operations, while at the same time increasing the quality of the classification; a cache-friendly linear access pattern to the input data, in contrast to usual implementations, which exhibit a random access pattern. FastBDT provides interfaces to C/C++, Python and TMVA. It is extensively used in the field of high energy physics by the Belle II experiment.