Yang Li

Yang Li, Yu Shen, Huaijun Jiang et al. · eth-zurich, pku

The tuning of hyperparameters becomes increasingly important as machine learning (ML) models have been extensively applied in data mining applications. Among various approaches, Bayesian optimization (BO) is a successful methodology to tune hyper-parameters automatically. While traditional methods optimize each tuning task in isolation, there has been recent interest in speeding up BO by transferring knowledge across previous tasks. In this work, we introduce an automatic method to design the BO search space with the aid of tuning history from past tasks. This simple yet effective approach can be used to endow many existing BO methods with transfer learning capabilities. In addition, it enjoys the three advantages: universality, generality, and safeness. The extensive experiments show that our approach considerably boosts BO by designing a promising and compact search space instead of using the entire space, and outperforms the state-of-the-arts on a wide range of benchmarks, including machine learning and deep learning tuning tasks, and neural architecture search.

Wentao Zhang, Yu Shen, Zheyu Lin et al.

Graph neural networks (GNNs) have achieved state-of-the-art performance in various graph-based tasks. However, as mainstream GNNs are designed based on the neural message passing mechanism, they do not scale well to data size and message passing steps. Although there has been an emerging interest in the design of scalable GNNs, current researches focus on specific GNN design, rather than the general design space, limiting the discovery of potential scalable GNN models. This paper proposes PasCa, a new paradigm and system that offers a principled approach to systemically construct and explore the design space for scalable GNNs, rather than studying individual designs. Through deconstructing the message passing mechanism, PasCa presents a novel Scalable Graph Neural Architecture Paradigm (SGAP), together with a general architecture design space consisting of 150k different designs. Following the paradigm, we implement an auto-search engine that can automatically search well-performing and scalable GNN architectures to balance the trade-off between multiple criteria (e.g., accuracy and efficiency) via multi-objective optimization. Empirical studies on ten benchmark datasets demonstrate that the representative instances (i.e., PasCa-V1, V2, and V3) discovered by our system achieve consistent performance among competitive baselines. Concretely, PasCa-V3 outperforms the state-of-the-art GNN method JK-Net by 0.4\% in terms of predictive accuracy on our large industry dataset while achieving up to $28.3\times$ training speedups.

Yang Li, Shenglan Yuan, Linghongzhi Lu et al.

In this paper, we present large deviation theory that characterizes the exponential estimate for rare events of stochastic dynamical systems in the limit of weak noise. We aim to consider next-to-leading-order approximation for more accurate calculation of mean exit time via computing large deviation prefactors with the research efforts of machine learning. More specifically, we design a neural network framework to compute quasipotential, most probable paths and prefactors based on the orthogonal decomposition of vector field. We corroborate the higher effectiveness and accuracy of our algorithm with a practical example. Numerical experiments demonstrate its powerful function in exploring internal mechanism of rare events triggered by weak random fluctuations.