We present a new technique called “t-SNE” that visualizes high-dimensional data by giving each datapoint a location in a two or three-dimensional map. The technique is a variation of Stochastic Neighbor Embedding (Hinton and Roweis, 2002) that is much easier to optimize, and produces significantly better visualizations by reducing the tendency to crowd points together in the center of the map. t-SNE is better than existing techniques at creating a single map that reveals structure at many different scales. This is particularly important for high-dimensional data that lie on several different, but related, low-dimensional manifolds, such as images of objects from multiple classes seen from multiple viewpoints. For visualizing the structure of very large datasets, we show how t-SNE can use random walks on neighborhood graphs to allow the implicit structure of all of the data to influence the way in which a subset of the data is displayed. We illustrate the performance of t-SNE on a wide variety of datasets and compare it with many other non-parametric visualization techniques, including Sammon mapping, Isomap, and Locally Linear Embedding. The visualizations produced by t-SNE are significantly better than those produced by the other techniques on almost all of the datasets.

/pdf/visualizing-data-using-t-sne-2w1n304iq0.pdf

Visualizing Data using t-SNE

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

https://axon.cs.byu.edu/~martinez/classes/678/Presentations/Yao.pdf

Extreme learning machine: Theory and applications

Probability Distributions.- Linear Models for Regression.- Linear Models for Classification.- Neural Networks.- Kernel Methods.- Sparse Kernel Machines.- Graphical Models.- Mixture Models and EM.- Approximate Inference.- Sampling Methods.- Continuous Latent Variables.- Sequential Data.- Combining Models.

Pattern Recognition and Machine Learning

Data Mining - Concepts and Techniques.

This paper presents a novel methodology for time series prediction. It is based on Extreme Learning Machines and an adaptive ensemble techniques. It is tested successfully on the CIF 2016 competition datasets which are composed of 72 time series in total. Among those, 48 time series are artificial with each having 108 training data points and 12 testing points. So for each artificial time series, there are 120 values, which is more than that of the rest 24 real time series.

A Novel ELM Ensemble for Time Series Prediction

Extreme learning machine (ELM) as an emerging branch of shallow networks has shown its excellent generalization and fast learning speed. However, for blended data, the robustness of ELM is weak because its weights and biases of hidden nodes are set randomly. Moreover, the noisy data exert a negative effect. To solve this problem, a new framework called RMSE-ELM is proposed in this paper. It is a two-layer recursive model. In the first layer, the framework trains lots of ELMs in different groups concurrently, then employs selective ensemble to pick out an optimal set of ELMs in each group, which can be merged into a large group of ELMs called candidate pool. In the second layer, selective ensemble is recursively used on candidate pool to acquire the final ensemble. In the experiments, we apply UCI blended datasets to confirm the robustness of our new approach in two key aspects (mean square error and standard deviation). The space complexity of our method is increased to some degree, but the results have shown that RMSE-ELM significantly improves robustness with slightly computational time compared with representative methods (ELM, OP-ELM, GASEN-ELM, GASEN-BP and E-GASEN). It becomes a potential framework to solve robustness issue of ELM for high-dimensional blended data in the future.

RMSE-ELM: Recursive Model based Selective Ensemble of Extreme Learning Machines for Robustness Improvement

14th IEEE international conference on Trust, Security, and Privacy in Computing and Communications (TrustCom), Helsinki, Finland, August 20-22, 2015

Pure feature selection, where variables are chosen or not to be in the training data set, still remains as an unsolved problem, especially when the dimensionality is high. Recently, the Forward-Backward Search algorithm using the Delta Test to evaluate a possible solution was presented, showing a good performance. However, due to the locality of the search procedure, the initial starting point of the search becomes crucial in order to obtain good results. This paper presents new heuristics to find a more adequate starting point that could lead to a better solution. The heuristic is based on the sorting of the variables using the Mutual Information criterion, and then performing parallel local searches. These local searches provide an initial starting point for the actual parallel Forward-Backward algorithm.

/pdf/mutual-information-based-initialization-of-forward-backward-4ns5xvwe3c.pdf

Mutual Information Based Initialization of Forward-Backward Search for Feature Selection in Regression Problems

In this paper, an improvement to the E step of the EM algorithm for nonlinear state-space models is presented. We also propose strategies for model structure selection when the EM-algorithm and state- space models are used for time series prediction. Experiments on the Poland electricity load time series show that the method gives good short- term predictions and can also be used for long-term prediction.

Amaury Lendasse

Papers

A Novel ELM Ensemble for Time Series Prediction

RMSE-ELM: Recursive Model based Selective Ensemble of Extreme Learning Machines for Robustness Improvement

14th IEEE international conference on Trust, Security, and Privacy in Computing and Communications (TrustCom), Helsinki, Finland, August 20-22, 2015

Mutual Information Based Initialization of Forward-Backward Search for Feature Selection in Regression Problems

EM-algorithm for Training of State-space Models with Application to Time Series Prediction