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

MUCKE aims to mine a large volume of images, to structure them conceptually and to use this conceptual structuring in order to improve large-scale image retrieval. The last decade witnessed important progress concerning low-level image representations. However, there are a number problems which need to be solved in order to unleash the full potential of image mining in applications. The central problem with low-level representations is the mismatch between them and the human interpretation of image content. This problem can be instantiated, for instance, by the incapability of existing descriptors to capture spatial relationships between the concepts represented or by their incapability to convey an explanation of why two images are similar in a content-based image retrieval framework. We start by assessing existing local descriptors for image classification and by proposing to use co-occurrence matrices to better capture spatial relationships in images. The main focus in MUCKE is on cleaning large scale Web image corpora and on proposing image representations which are closer to the human interpretation of images. Consequently, we introduce methods which tackle these two problems and compare results to state of the art methods. Note: some aspects of this deliverable are withheld at this time as they are pending review. Please contact the authors for a preview.

http://ieeexplore.ieee.org/iel2/4524/12820/00592460.pdf

Image Processing

Applications of machine learning to machine fault diagnosis: A review and roadmap

Wavelets for fault diagnosis of rotary machines: A review with applications

Feature selection (FS) methods can be used in data pre-processing to achieve efficient data reduction. This is useful for finding accurate data models. Since exhaustive search for optimal feature subset is infeasible in most cases, many search strategies have been proposed in literature. The usual applications of FS are in classification, clustering, and regression tasks. This review considers most of the commonly used FS techniques. Particular emphasis is on the application aspects. In addition to standard filter, wrapper, and embedded methods, we also provide insight into FS for recent hybrid approaches and other advanced topics.

/pdf/a-review-of-feature-selection-methods-with-applications-5g944kurae.pdf

A review of feature selection methods with applications

Fault diagnosis of wind turbine based on Long Short-term memory networks

In recent years, an increasing popularity of deep learning model for intelligent condition monitoring and diagnosis as well as prognostics used for mechanical systems and structures has been observed. In the previous studies, however, a major assumption accepted by default, is that the training and testing data are taking from same feature distribution. Unfortunately, this assumption is mostly invalid in real application, resulting in a certain lack of applicability for the traditional diagnosis approaches. Inspired by the idea of transfer learning that leverages the knowledge learnt from rich labeled data in source domain to facilitate diagnosing a new but similar target task, a new intelligent fault diagnosis framework, i.e., deep transfer network (DTN), which generalizes deep learning model to domain adaptation scenario, is proposed in this paper. By extending the marginal distribution adaptation (MDA) to joint distribution adaptation (JDA), the proposed framework can exploit the discrimination structures associated with the labeled data in source domain to adapt the conditional distribution of unlabeled target data, and thus guarantee a more accurate distribution matching. Extensive empirical evaluations on three fault datasets validate the applicability and practicability of DTN, while achieving many state-of-the-art transfer results in terms of diverse operating conditions, fault severities and fault types.

Deep transfer network with joint distribution adaptation: A new intelligent fault diagnosis framework for industry application.

In recent years, deep learning has become an emerging research orientation in the field of intelligent monitoring and fault diagnosis for industry equipment. Generally, the success of supervised deep models is largely attributed to a mass of typically labeled data, while it is often limited in real diagnosis tasks. In addition, the diagnostic model trained with data from limited conditions may generalize poorly for conditions not observed during training. To tackle these challenges, adversarial learning is introduced as a regularization into the convolutional neural network (CNN), and a novel deep adversarial convolutional neural network (DACNN) is accordingly proposed in this paper. By adding an additional discriminative classifier, an adversarial learning framework can be developed to train the convolutional blocks with the split data subsets, leading to a minimax two-player game. This process contributes to making the feature representation robust, boosting the generalization ability of the trained model as well as avoiding overfitting with a small size of labeled samples. The comparison studies with respect to conventional deep models on two fault datasets demonstrate the applicability and superiority of proposed method.

Chao Liu

Papers

Fault diagnosis of wind turbine based on Long Short-term memory networks

Deep transfer network with joint distribution adaptation: A new intelligent fault diagnosis framework for industry application.

A novel adversarial learning framework in deep convolutional neural network for intelligent diagnosis of mechanical faults

An adaptive spatiotemporal feature learning approach for fault diagnosis in complex systems

Short-term prediction of wind power using EMD and chaotic theory