Representation Learning for Scale-free Networks

Network embedding aims to learn the low-dimensional representations of vertexes in a network, while structure and inherent properties of the network is preserved. Existing network embedding works primarily focus on preserving the microscopic structure, such as the first- and second-order proximity of vertexes, while the macroscopic scale-free property is largely ignored. Scale-free property depicts the fact that vertex degrees follow a heavy-tailed distribution (i.e., only a few vertexes have high degrees) and is a critical property of real-world networks, such as social networks. In this paper, we study the problem of learning representations for scale-free networks. We first theoretically analyze the difficulty of embedding and reconstructing a scale-free network in the Euclidean space, by converting our problem to the sphere packing problem. Then, we propose the "degree penalty" principle for designing scale-free property preserving network embedding algorithm: punishing the proximity between high-degree vertexes. We introduce two implementations of our principle by utilizing the spectral techniques and a skip-gram model respectively. Extensive experiments on six datasets show that our algorithms are able to not only reconstruct heavy-tailed distributed degree distribution, but also outperform state-of-the-art embedding models in various network mining tasks, such as vertex classification and link prediction.Comment: 8 figures; accepted by AAAI 201

Recurrent Segmentation for Variable Computational Budgets

State-of-the-art systems for semantic image segmentation use feed-forward pipelines with fixed computational costs. Building an image segmentation system that works across a range of computational budgets is challenging and time-intensive as new architectures must be designed and trained for every computational setting. To address this problem we develop a recurrent neural network that successively improves prediction quality with each iteration. Importantly, the RNN may be deployed across a range of computational budgets by merely running the model for a variable number of iterations. We find that this architecture is uniquely suited for efficiently segmenting videos. By exploiting the segmentation of past frames, the RNN can perform video segmentation at similar quality but reduced computational cost compared to state-of-the-art image segmentation methods. When applied to static images in the PASCAL VOC 2012 and Cityscapes segmentation datasets, the RNN traces out a speed-accuracy curve that saturates near the performance of state-of-the-art segmentation methods

Roadmap on Electronic Structure Codes in the Exascale Era

Electronic structure calculations have been instrumental in providing many important insights into a range of physical and chemical properties of various molecular and solid-state systems. Their importance to various fields, including materials science, chemical sciences, computational chemistry and device physics, is underscored by the large fraction of available public supercomputing resources devoted to these calculations. As we enter the exascale era, exciting new opportunities to increase simulation numbers, sizes, and accuracies present themselves. In order to realize these promises, the community of electronic structure software developers will however first have to tackle a number of challenges pertaining to the efficient use of new architectures that will rely heavily on massive parallelism and hardware accelerators. This roadmap provides a broad overview of the state-of-the-art in electronic structure calculations and of the various new directions being pursued by the community. It covers 14 electronic structure codes, presenting their current status, their development priorities over the next five years, and their plans towards tackling the challenges and leveraging the opportunities presented by the advent of exascale computing.Comment: Submitted as a roadmap article to Modelling and Simulation in Materials Science and Engineering; Address any correspondence to Vikram Gavini ([email protected]) and Danny Perez ([email protected]