Neural Information Processing Systems http://nips.cc/

Neural Information Processing Systems http://nips.cc/

To improve the resilience of distributed training to worst-case, or Byzantine node failures, several recent approaches have replaced gradient averaging with robust aggregation methods. Such techniques can have high computational costs, often quadratic in the number of compute nodes, and only have limited robustness guarantees. Other methods have instead used redundancy to guarantee robustness, but can only tolerate limited number of Byzantine failures. In this work, we present DETOX, a Byzantine-resilient distributed training framework that combines algorithmic redundancy with robust aggregation. DETOX operates in two steps, a filtering step that uses limited redundancy to significantly reduce the effect of Byzantine nodes, and a hierarchical aggregation step that can be used in tandem with any state-of-the-art robust aggregation method. We show theoretically that this leads to a substantial increase in robustness, and has a per iteration runtime that can be nearly linear in the number of compute nodes. We provide extensive experiments over real distributed setups across a variety of large-scale machine learning tasks, showing that DETOX leads to orders of magnitude accuracy and speedup improvements over many state-of-the-art Byzantine-resilient approaches.

Inverse design is an outstanding challenge in disordered systems with multiple length scales such as polymers, particularly when designing polymers with desired phase behavior. We demonstrate high-accuracy tuning of poly(2-oxazoline) cloud point via machine learning. With a design space of four repeating units and a range of molecular masses, we achieve an accuracy of 4 {\deg}C root mean squared error (RMSE) in a temperature range of 24-90 {\deg}C, employing gradient boosting with decision trees. The RMSE is >3x better than linear and polynomial regression. We perform inverse design via particle-swarm optimization, predicting and synthesizing 17 polymers with constrained design at 4 target cloud points from 37 to 80 {\deg}C. Our approach challenges the status quo in polymer design with a machine learning algorithm, that is capable of fast and systematic discovery of new polymers.