arXiv subjects

Zhaocheng Zhu

Publications and source records attributed to Zhaocheng Zhu.

23 records · Page 2Linked to original sources

arXiv2020

GraphAF: a Flow-based Autoregressive Model for Molecular Graph Generation

Molecular graph generation is a fundamental problem for drug discovery and has been attracting growing attention. The problem is challenging since it requires not only generating chemically valid molecular structures but also optimizing their chemical properties in the meantime. Inspired by the recent progress in deep generative models, in this paper we propose a flow-based autoregressive model for graph generation called GraphAF. GraphAF combines the advantages of both autoregressive and flow-based approaches and enjoys: (1) high model flexibility for data density estimation; (2) efficient parallel computation for training; (3) an iterative sampling process, which allows leveraging chemical domain knowledge for valency checking. Experimental results show that GraphAF is able to generate 68% chemically valid molecules even without chemical knowledge rules and 100% valid molecules with chemical rules. The training process of GraphAF is two times faster than the existing state-of-the-art approach GCPN. After fine-tuning the model for goal-directed property optimization with reinforcement learning, GraphAF achieves state-of-the-art performance on both chemical property optimization and constrained property optimization.

cs.LG↗

arXiv2019

Self-Adaptive Network Pruning

Deep convolutional neural networks have been proved successful on a wide range of tasks, yet they are still hindered by their large computation cost in many industrial scenarios. In this paper, we propose to reduce such cost for CNNs through a self-adaptive network pruning method (SANP). Our method introduces a general Saliency-and-Pruning Module (SPM) for each convolutional layer, which learns to predict saliency scores and applies pruning for each channel. Given a total computation budget, SANP adaptively determines the pruning strategy with respect to each layer and each sample, such that the average computation cost meets the budget. This design allows SANP to be more efficient in computation, as well as more robust to datasets and backbones. Extensive experiments on 2 datasets and 3 backbones show that SANP surpasses state-of-the-art methods in both classification accuracy and pruning rate.

cs.LG↗

arXiv2019

GraphVite: A High-Performance CPU-GPU Hybrid System for Node Embedding

Learning continuous representations of nodes is attracting growing interest in both academia and industry recently, due to their simplicity and effectiveness in a variety of applications. Most of existing node embedding algorithms and systems are capable of processing networks with hundreds of thousands or a few millions of nodes. However, how to scale them to networks that have tens of millions or even hundreds of millions of nodes remains a challenging problem. In this paper, we propose GraphVite, a high-performance CPU-GPU hybrid system for training node embeddings, by co-optimizing the algorithm and the system. On the CPU end, augmented edge samples are parallelly generated by random walks in an online fashion on the network, and serve as the training data. On the GPU end, a novel parallel negative sampling is proposed to leverage multiple GPUs to train node embeddings simultaneously, without much data transfer and synchronization. Moreover, an efficient collaboration strategy is proposed to further reduce the synchronization cost between CPUs and GPUs. Experiments on multiple real-world networks show that GraphVite is super efficient. It takes only about one minute for a network with 1 million nodes and 5 million edges on a single machine with 4 GPUs, and takes around 20 hours for a network with 66 million nodes and 1.8 billion edges. Compared to the current fastest system, GraphVite is about 50 times faster without any sacrifice on performance.

cs.LG↗

arXiv2018

Saliency Supervision: An Intuitive and Effective Approach for Pain Intensity Regression

Getting pain intensity from face images is an important problem in autonomous nursing systems. However, due to the limitation in data sources and the subjectiveness in pain intensity values, it is hard to adopt modern deep neural networks for this problem without domain-specific auxiliary design. Inspired by human vision priori, we propose a novel approach called saliency supervision, where we directly regularize deep networks to focus on facial area that is discriminative for pain regression. Through alternative training between saliency supervision and global loss, our method can learn sparse and robust features, which is proved helpful for pain intensity regression. We verified saliency supervision with face-verification network backbone on the widely-used dataset, and achieved state-of-art performance without bells and whistles. Our saliency supervision is intuitive in spirit, yet effective in performance. We believe such saliency supervision is essential in dealing with ill-posed datasets, and has potential in a wide range of vision tasks.

cs.CV↗

arXiv2017

Context Aware Document Embedding

Recently, doc2vec has achieved excellent results in different tasks. In this paper, we present a context aware variant of doc2vec. We introduce a novel weight estimating mechanism that generates weights for each word occurrence according to its contribution in the context, using deep neural networks. Our context aware model can achieve similar results compared to doc2vec initialized byWikipedia trained vectors, while being much more efficient and free from heavy external corpus. Analysis of context aware weights shows they are a kind of enhanced IDF weights that capture sub-topic level keywords in documents. They might result from deep neural networks that learn hidden representations with the least entropy.

cs.CL↗