There is, I think, something ethereal about i —the square root of minus one. I remember first hearing about it at school. It seemed an odd beast at that time—an intruder hovering on the edge of reality.

Usually familiarity dulls this sense of the bizarre, but in the case of i it was the reverse: over the years the sense of its surreal nature intensified. It seemed that it was impossible to write mathematics that described the real world in …

I and i

Three parallel algorithms for classical molecular dynamics are presented. The first assigns each processor a fixed subset of atoms; the second assigns each a fixed subset of inter-atomic forces to compute; the third assigns each a fixed spatial region. The algorithms are suitable for molecular dynamics models which can be difficult to parallelize efficiently—those with short-range forces where the neighbors of each atom change rapidly. They can be implemented on any distributed-memory parallel machine which allows for message-passing of data between independently executing processors. The algorithms are tested on a standard Lennard-Jones benchmark problem for system sizes ranging from 500 to 100,000,000 atoms on several parallel supercomputers--the nCUBE 2, Intel iPSC/860 and Paragon, and Cray T3D. Comparing the results to the fastest reported vectorized Cray Y-MP and C90 algorithm shows that the current generation of parallel machines is competitive with conventional vector supercomputers even for small problems. For large problems, the spatial algorithm achieves parallel efficiencies of 90% and a 1840-node Intel Paragon performs up to 165 faster than a single Cray C9O processor. Trade-offs between the three algorithms and guidelines for adapting them to more complex molecular dynamics simulations are also discussed.

Fast parallel algorithms for short-range molecular dynamics

The increasing volume of data in modern business and science calls for more complex and sophisticated tools. Although advances in data mining technology have made extensive data collection much easier, it's still always evolving and there is a constant need for new techniques and tools that can help us transform this data into useful information and knowledge. Since the previous edition's publication, great advances have been made in the field of data mining. Not only does the third of edition of Data Mining: Concepts and Techniques continue the tradition of equipping you with an understanding and application of the theory and practice of discovering patterns hidden in large data sets, it also focuses on new, important topics in the field: data warehouses and data cube technology, mining stream, mining social networks, and mining spatial, multimedia and other complex data. Each chapter is a stand-alone guide to a critical topic, presenting proven algorithms and sound implementations ready to be used directly or with strategic modification against live data. This is the resource you need if you want to apply today's most powerful data mining techniques to meet real business challenges. * Presents dozens of algorithms and implementation examples, all in pseudo-code and suitable for use in real-world, large-scale data mining projects. * Addresses advanced topics such as mining object-relational databases, spatial databases, multimedia databases, time-series databases, text databases, the World Wide Web, and applications in several fields. *Provides a comprehensive, practical look at the concepts and techniques you need to get the most out of real business data

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Data Mining: Concepts and Techniques

A major assumption in many machine learning and data mining algorithms is that the training and future data must be in the same feature space and have the same distribution. However, in many real-world applications, this assumption may not hold. For example, we sometimes have a classification task in one domain of interest, but we only have sufficient training data in another domain of interest, where the latter data may be in a different feature space or follow a different data distribution. In such cases, knowledge transfer, if done successfully, would greatly improve the performance of learning by avoiding much expensive data-labeling efforts. In recent years, transfer learning has emerged as a new learning framework to address this problem. This survey focuses on categorizing and reviewing the current progress on transfer learning for classification, regression, and clustering problems. In this survey, we discuss the relationship between transfer learning and other related machine learning techniques such as domain adaptation, multitask learning and sample selection bias, as well as covariate shift. We also explore some potential future issues in transfer learning research.

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A Survey on Transfer Learning

Tree boosting is a highly effective and widely used machine learning method. In this paper, we describe a scalable end-to-end tree boosting system called XGBoost, which is used widely by data scientists to achieve state-of-the-art results on many machine learning challenges. We propose a novel sparsity-aware algorithm for sparse data and weighted quantile sketch for approximate tree learning. More importantly, we provide insights on cache access patterns, data compression and sharding to build a scalable tree boosting system. By combining these insights, XGBoost scales beyond billions of examples using far fewer resources than existing systems.

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XGBoost: A Scalable Tree Boosting System

Cross-domain sentiment classification aims to leverage useful information in a source domain to help do sentiment classification in a target domain that has no or little supervised information. Existing cross-domain sentiment classification methods cannot automatically capture non-pivots, i.e., the domain-specific sentiment words, and pivots, i.e., the domain-shared sentiment words, simultaneously. In order to solve this problem, we propose a Hierarchical Attention Transfer Network (HATN) for cross-domain sentiment classification. The proposed HATN provides a hierarchical attention transfer mechanism which can transfer attentions for emotions across domains by automatically capturing pivots and non-pivots. Besides, the hierarchy of the attention mechanism mirrors the hierarchical structure of documents, which can help locate the pivots and non-pivots better. The proposed HATN consists of two hierarchical attention networks, with one named P-net aiming to find the pivots and the other named NP-net aligning the non-pivots by using the pivots as a bridge. Specifically, P-net firstly conducts individual attention learning to provide positive and negative pivots for NP-net. Then, P-net and NP-net conduct joint attention learning such that the HATN can simultaneously capture pivots and non-pivots and realize transferring attentions for emotions across domains. Experiments on the Amazon review dataset demonstrate the effectiveness of HATN.

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Hierarchical Attention Transfer Network for Cross-domain Sentiment Classification

The efficient condition monitoring and accurate module defect detection in large-scale photovoltaic (PV) farms demand for novel inspection method and analysis tools. This paper presents a deep learning based solution for defect pattern recognition by the use of aerial images obtained from unmanned aerial vehicles. The convolutional neural network is used in the machine learning process to classify various forms of module defects. Such a supervised learning process can extract a range of deep features of operating PV modules. It significantly improves the efficiency and accuracy of asset inspection and health assessment for large-scale PV farms in comparison with the conventional solutions. The proposed algorithmic solution is extensively evaluated from different aspects, and the numerical result clearly demonstrates its effectiveness for efficient defect detection of PV modules.

Deep Learning Based Module Defect Analysis for Large-Scale Photovoltaic Farms

Fast charging stations are critical infrastructures to enable high penetration of plug-in electric vehicles (PEVs) into future distribution networks. They need to be carefully planned to meet charging demand as well as ensure economic benefits. Accurate estimation of PEV charging demand is the prerequisite of such planning, but a nontrivial task. This paper addresses the sizing (number of chargers and waiting spaces) problem of fast charging stations and presents an optimal planning solution based on an explicit temporal-state of charge characterization of PEV fast charging demand. The characteristics of PEV charging demand are derived through a vehicle travel behavior analysis using available statistics. The PEV dynamics in charging stations is modelled with a Markov chain and queuing theory. As a result, the optimal number of chargers and waiting spaces in fast charging stations can be jointly determined to maximize expected operator profits, considering profit of charging service, penalty of waiting and rejection, as well as maintenance cost of idle facilities. The proposed solution is validated through a case study with mathematical justifications and simulation results.

Optimal Sizing of PEV Fast Charging Stations With Markovian Demand Characterization

Bike-sharing systems are widely deployed in many major cities, while the jammed and empty stations in them lead to severe customer loss. Currently, operators try to constantly reposition bikes among stations when the system is operating. However, how to efficiently reposition to minimize the customer loss in a long period remains unsolved. We propose a spatio-temporal reinforcement learning based bike reposition model to deal with this problem. Firstly, an inter-independent inner-balance clustering algorithm is proposed to cluster stations into groups. Clusters obtained have two properties, i.e. each cluster is inner-balanced and independent from the others. As there are many trikes repositioning in a very large system simultaneously, clustering is necessary to reduce the problem complexity. Secondly, we allocate multiple trikes to each cluster to conduct inner-cluster bike reposition. A spatio-temporal reinforcement learning model is designed for each cluster to learn a reposition policy in it, targeting at minimizing its customer loss in a long period. To learn each model, we design a deep neural network to estimate its optimal long-term value function, from which the optimal policy can be easily inferred. Besides formulating the model in a multi-agent way, we further reduce its training complexity by two spatio-temporal pruning rules. Thirdly, we design a system simulator based on two predictors to train and evaluate the reposition model. Experiments on real-world datasets from Citi Bike are conducted to confirm the effectiveness of our model.

Qiang Yang

Papers

Hierarchical Attention Transfer Network for Cross-domain Sentiment Classification

Deep Learning Based Module Defect Analysis for Large-Scale Photovoltaic Farms

Optimal Sizing of PEV Fast Charging Stations With Markovian Demand Characterization

Dynamic Bike Reposition: A Spatio-Temporal Reinforcement Learning Approach

PRICAI 2006: Trends in Artificial Intelligence