A fundamental question in many data analysis settings is the problem of discerning the ``natural'' dimension of a data set. That is, when a data set is drawn from a manifold (possibly with noise), a meaningful aspect of the data is the dimension of that manifold. Various approaches exist for estimating this dimension, such as the method of SecantAvoidance Projection (SAP). Intuitively, the SAP algorithm seeks to determine a projection which best preserves the lengths of all secants between points in a data set; by applying the algorithm to find the best projections to vector spaces of various dimensions, one may infer the dimension of the manifold of origination. That is, one may learn the dimension at which it is possible to construct a diffeomorphic copy of the data in a lowerdimensional Euclidean space. Using Whitney's embedding theorem, we can relate this information to the natural dimension of the data. A drawback of the SAP algorithm is that a data set with $n$ points has $n(n1)/2$ secants, making the computation and storage of all secants infeasible for very large data sets. In this paper, we propose a novel algorithm that generalizes the SAP algorithm with an emphasis on addressing this issue. That is, we propose a hierarchical secantbased dimensionalityreduction method, which can be employed for data sets where explicitly calculating all secants is not feasible.
more »
« less
Too many secants: a hierarchical approach to secantbased dimensionality reduction on large data sets
A fundamental question in many data analysis settings is the problem of discerning the “natural” dimension of a data set. That is, when a data set is drawn from a manifold (possibly with noise), a meaningful aspect of the data is the dimension of that manifold. Various approaches exist for estimating this dimension, such as the method of SecantAvoidance Projection (SAP). Intuitively, the SAP algorithm seeks to determine a projection which best preserves the lengths of all secants between points in a data set; by applying the algorithm to find the best projections to vector spaces of various dimensions, one may infer the dimension of the manifold of origination. That is, one may learn the dimension at which it is possible to construct a diffeomorphic copy of the data in a lowerdimensional Euclidean space. Using Whitney's embedding theorem, we can relate this information to the natural dimension of the data. A drawback of the SAP algorithm is that a data set with T points has O(T 2 ) secants, making the computation and storage of all secants infeasible for very large data sets. In this paper, we propose a novel algorithm that generalizes the SAP algorithm with an emphasis on addressing this issue. That is, we propose a hierarchical secantbased dimensionalityreduction method, which can be employed for data sets where explicitly calculating all secants is not feasible.
more »
« less
 Award ID(s):
 1633830
 NSFPAR ID:
 10099075
 Date Published:
 Journal Name:
 2018 IEEE High Performance extreme Computing Conference (HPEC)
 Page Range / eLocation ID:
 1 to 7
 Format(s):
 Medium: X
 Sponsoring Org:
 National Science Foundation
More Like this


Dimensionalityreduction techniques are a fundamental tool for extracting useful information from highdimensional data sets. Because secant sets encode manifold geometry, they are a useful tool for designing meaningful datareduction algorithms. In one such approach, the goal is to construct a projection that maximally avoids secant directions and hence ensures that distinct data points are not mapped too close together in the reduced space. This type of algorithm is based on a mathematical framework inspired by the constructive proof of Whitney's embedding theorem from differential topology. Computing all (unit) secants for a set of points is by nature computationally expensive, thus opening the door for exploitation of GPU architecture for achieving fast versions of these algorithms. We present a polynomialtime datareduction algorithm that produces a meaningful lowdimensional representation of a data set by iteratively constructing improved projections within the framework described above. Key to our algorithm design and implementation is the use of GPUs which, among other things, minimizes the computational time required for the calculation of all secant lines. One goal of this report is to share ideas with GPU experts and to discuss a class of mathematical algorithms that may be of interest to the broader GPU community.more » « less

Dimensionalityreduction methods are a fundamental tool in the analysis of large datasets. These algorithms work on the assumption that the "intrinsic dimension" of the data is generally much smaller than the ambient dimension in which it is collected. Alongside their usual purpose of mapping data into a smallerdimensional space with minimal information loss, dimensionalityreduction techniques implicitly or explicitly provide information about the dimension of the dataset.In this paper, we propose a new statistic that we call the kappaprofile for analysis of large datasets. The kappaprofile arises from a dimensionalityreduction optimization problem: namely that of finding a projection that optimally preserves the secants between points in the dataset. From this optimal projection we extract kappa, the norm of the shortest projected secant from among the set of all normalized secants. This kappa can be computed for any dimension k; thus the tuple of kappa values (indexed by dimension) becomes a kappaprofile. Algorithms such as the SecantAvoidance Projection algorithm and the Hierarchical SecantAvoidance Projection algorithm provide a computationally feasible means of estimating the kappaprofile for large datasets, and thus a method of understanding and monitoring their behavior. As we demonstrate in this paper, the kappaprofile serves as a useful statistic in several representative settings: weather data, soundscape data, and dynamical systems data.more » « less

Obeid, I. ; Selesnik, I. ; Picone, J. (Ed.)The Neuronix highperformance computing cluster allows us to conduct extensive machine learning experiments on big data [1]. This heterogeneous cluster uses innovative scheduling technology, Slurm [2], that manages a network of CPUs and graphics processing units (GPUs). The GPU farm consists of a variety of processors ranging from lowend consumer grade devices such as the Nvidia GTX 970 to higherend devices such as the GeForce RTX 2080. These GPUs are essential to our research since they allow extremely computeintensive deep learning tasks to be executed on massive data resources such as the TUH EEG Corpus [2]. We use TensorFlow [3] as the core machine learning library for our deep learning systems, and routinely employ multiple GPUs to accelerate the training process. Reproducible results are essential to machine learning research. Reproducibility in this context means the ability to replicate an existing experiment – performance metrics such as error rates should be identical and floatingpoint calculations should match closely. Three examples of ways we typically expect an experiment to be replicable are: (1) The same job run on the same processor should produce the same results each time it is run. (2) A job run on a CPU and GPU should produce identical results. (3) A job should produce comparable results if the data is presented in a different order. System optimization requires an ability to directly compare error rates for algorithms evaluated under comparable operating conditions. However, it is a difficult task to exactly reproduce the results for large, complex deep learning systems that often require more than a trillion calculations per experiment [5]. This is a fairly wellknown issue and one we will explore in this poster. Researchers must be able to replicate results on a specific data set to establish the integrity of an implementation. They can then use that implementation as a baseline for comparison purposes. A lack of reproducibility makes it very difficult to debug algorithms and validate changes to the system. Equally important, since many results in deep learning research are dependent on the order in which the system is exposed to the data, the specific processors used, and even the order in which those processors are accessed, it becomes a challenging problem to compare two algorithms since each system must be individually optimized for a specific data set or processor. This is extremely timeconsuming for algorithm research in which a single run often taxes a computing environment to its limits. Wellknown techniques such as crossvalidation [5,6] can be used to mitigate these effects, but this is also computationally expensive. These issues are further compounded by the fact that most deep learning algorithms are susceptible to the way computational noise propagates through the system. GPUs are particularly notorious for this because, in a clustered environment, it becomes more difficult to control which processors are used at various points in time. Another equally frustrating issue is that upgrades to the deep learning package, such as the transition from TensorFlow v1.9 to v1.13, can also result in large fluctuations in error rates when rerunning the same experiment. Since TensorFlow is constantly updating functions to support GPU use, maintaining an historical archive of experimental results that can be used to calibrate algorithm research is quite a challenge. This makes it very difficult to optimize the system or select the best configurations. The overall impact of all of these issues described above is significant as error rates can fluctuate by as much as 25% due to these types of computational issues. Crossvalidation is one technique used to mitigate this, but that is expensive since you need to do multiple runs over the data, which further taxes a computing infrastructure already running at max capacity. GPUs are preferred when training a large network since these systems train at least two orders of magnitude faster than CPUs [7]. Largescale experiments are simply not feasible without using GPUs. However, there is a tradeoff to gain this performance. Since all our GPUs use the NVIDIA CUDA® Deep Neural Network library (cuDNN) [8], a GPUaccelerated library of primitives for deep neural networks, it adds an element of randomness into the experiment. When a GPU is used to train a network in TensorFlow, it automatically searches for a cuDNN implementation. NVIDIA’s cuDNN implementation provides algorithms that increase the performance and help the model train quicker, but they are nondeterministic algorithms [9,10]. Since our networks have many complex layers, there is no easy way to avoid this randomness. Instead of comparing each epoch, we compare the average performance of the experiment because it gives us a hint of how our model is performing per experiment, and if the changes we make are efficient. In this poster, we will discuss a variety of issues related to reproducibility and introduce ways we mitigate these effects. For example, TensorFlow uses a random number generator (RNG) which is not seeded by default. TensorFlow determines the initialization point and how certain functions execute using the RNG. The solution for this is seeding all the necessary components before training the model. This forces TensorFlow to use the same initialization point and sets how certain layers work (e.g., dropout layers). However, seeding all the RNGs will not guarantee a controlled experiment. Other variables can affect the outcome of the experiment such as training using GPUs, allowing multithreading on CPUs, using certain layers, etc. To mitigate our problems with reproducibility, we first make sure that the data is processed in the same order during training. Therefore, we save the data from the last experiment and to make sure the newer experiment follows the same order. If we allow the data to be shuffled, it can affect the performance due to how the model was exposed to the data. We also specify the float data type to be 32bit since Python defaults to 64bit. We try to avoid using 64bit precision because the numbers produced by a GPU can vary significantly depending on the GPU architecture [1113]. Controlling precision somewhat reduces differences due to computational noise even though technically it increases the amount of computational noise. We are currently developing more advanced techniques for preserving the efficiency of our training process while also maintaining the ability to reproduce models. In our poster presentation we will demonstrate these issues using some novel visualization tools, present several examples of the extent to which these issues influence research results on electroencephalography (EEG) and digital pathology experiments and introduce new ways to manage such computational issues.more » « less

Principal Component Analysis (PCA) and Kernel Principal Component Analysis (KPCA) are fundamental methods in machine learning for dimensionality reduction. The former is a technique for finding this approximation in finite dimensions and the latter is often in an infinite dimensional Reproducing Kernel Hilbertspace (RKHS). In this paper, we present a geometric framework for computing the principal linear subspaces in both situations as well as for the robust PCA case, that amounts to computing the intrinsic average on the space of all subspaces: the Grassmann manifold. Points on this manifold are defined as the subspaces spanned by K tuples of observations. The intrinsic Grassmann average of these subspaces are shown to coincide with the principal components of the observations when they are drawn from a Gaussian distribution. We show similar results in the RKHS case and provide an efficient algorithm for computing the projection onto the this average subspace. The result is a method akin to KPCA which is substantially faster. Further, we present a novel online version of the KPCA using our geometric framework. Competitive performance of all our algorithms are demonstrated on a variety of real and synthetic data sets.more » « less