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Multilayer Perceptrons (MLPs) have long been a cornerstone in deep learning, known for their capacity to model complex relationships. Recently, Kolmogorov-Arnold Networks (KANs) have emerged as a compelling alternative, utilizing highly flexible learnable activation functions directly on network edges, a departure from the neuron-centric approach of MLPs. However, KANs significantly increase the number of learnable parameters, raising concerns about their effectiveness in data-scarce environments. This paper presents a comprehensive comparative study of MLPs and KANs from both algorithmic and experimental perspectives, with a focus on low-data regimes. We introduce an effective technique for designing MLPs with unique, parameterized activation functions for each neuron, enabling a more balanced comparison with KANs. Using empirical evaluations on simulated data and two real-world data sets from medicine and engineering, we explore the trade-offs between model complexity and accuracy, with particular attention to the role of network depth. Our findings show that MLPs with individualized activation functions achieve significantly higher predictive accuracy with only a modest increase in parameters, especially when the sample size is limited to around one hundred. For example, in a three-class classification problem within additive manufacturing, MLPs achieve a median accuracy of 0.91, significantly outperforming KANs, which only reach a median accuracy of 0.53 with default hyperparameters. These results offer valuable insights into the impact of activation function selection in neural networks., Comment: 15 pages, 9 figures

This paper investigates the use of probabilistic neural networks (PNNs) to model aleatoric uncertainty, which refers to the inherent variability in the input-output relationships of a system, often characterized by unequal variance or heteroscedasticity. Unlike traditional neural networks that produce deterministic outputs, PNNs generate probability distributions for the target variable, allowing the determination of both predicted means and intervals in regression scenarios. Contributions of this paper include the development of a probabilistic distance metric to optimize PNN architecture, and the deployment of PNNs in controlled data sets as well as a practical material science case involving fiber-reinforced composites. The findings confirm that PNNs effectively model aleatoric uncertainty, proving to be more appropriate than the commonly employed Gaussian process regression for this purpose. Specifically, in a real-world scientific machine learning context, PNNs yield remarkably accurate output mean estimates with R-squared scores approaching 0.97, and their predicted intervals exhibit a high correlation coefficient of nearly 0.80, closely matching observed data intervals. Hence, this research contributes to the ongoing exploration of leveraging the sophisticated representational capacity of neural networks to delineate complex input-output relationships in scientific problems., Comment: 9 figures

This paper introduces a novel two-stage machine learning-based surrogate modeling framework to address inverse problems in scientific and engineering fields. In the first stage of the proposed framework, a machine learning model termed the "learner" identifies a limited set of candidates within the input design space whose predicted outputs closely align with desired outcomes. Subsequently, in the second stage, a separate surrogate model, functioning as an "evaluator," is employed to assess the reduced candidate space generated in the first stage. This evaluation process eliminates inaccurate and uncertain solutions, guided by a user-defined coverage level. The framework's distinctive contribution is the integration of conformal inference, providing a versatile and efficient approach that can be widely applicable. To demonstrate the effectiveness of the proposed framework compared to conventional single-stage inverse problems, we conduct several benchmark tests and investigate an engineering application focused on the micromechanical modeling of fiber-reinforced composites. The results affirm the superiority of our proposed framework, as it consistently produces more reliable solutions. Therefore, the introduced framework offers a unique perspective on fostering interactions between machine learning-based surrogate models in real-world applications., Comment: 23 pages, 11 figures

Continual learning -- accumulating knowledge from a sequence of learning experiences -- is an important yet challenging problem. In this paradigm, the model's performance for previously encountered instances may substantially drop as additional data are seen. When dealing with class-imbalanced data, forgetting is further exacerbated. Prior work has proposed replay-based approaches which aim at reducing forgetting by intelligently storing instances for future replay. Although Class-Balancing Reservoir Sampling (CBRS) has been successful in dealing with imbalanced data, the intra-class diversity has not been accounted for, implicitly assuming that each instance of a class is equally informative. We present Diverse-CBRS (D-CBRS), an algorithm that allows us to consider within class diversity when storing instances in the memory. Our results show that D-CBRS outperforms state-of-the-art memory management continual learning algorithms on data sets with considerable intra-class diversity., Comment: To appear in IEEE ICIP 2022

A fundamental task in machine learning involves visualizing high-dimensional data sets that arise in high-impact application domains. When considering the context of large imbalanced data, this problem becomes much more challenging. In this paper, the t-Distributed Stochastic Neighbor Embedding (t-SNE) algorithm is used to reduce the dimensions of an earthquake engineering related data set for visualization purposes. Since imbalanced data sets greatly affect the accuracy of classifiers, we employ Synthetic Minority Oversampling Technique (SMOTE) to tackle the imbalanced nature of such data set. We present the result obtained from t-SNE and SMOTE and compare it to the basic approaches with various aspects. Considering four options and six classification algorithms, we show that using t-SNE on the imbalanced data and SMOTE on the training data set, neural network classifiers have promising results without sacrificing accuracy. Hence, we can transform the studied scientific data into a two-dimensional (2D) space, enabling the visualization of the classifier and the resulting decision surface using a 2D plot., Comment: This paper has been accepted for publication in IEEE International Conference on Machine Learning and Applications 2021

Scalable kernel methods, including kernel ridge regression, often rely on low-rank matrix approximations using the Nystrom method, which involves selecting landmark points from large data sets. The existing approaches to selecting landmarks are typically computationally demanding as they require manipulating and performing computations with large matrices in the input or feature space. In this paper, our contribution is twofold. The first contribution is to propose a novel landmark selection method that promotes diversity using an efficient two-step approach. Our landmark selection technique follows a coarse to fine strategy, where the first step computes importance scores with a single pass over the whole data. The second step performs K-means clustering on the constructed coreset to use the obtained centroids as landmarks. Hence, the introduced method provides tunable trade-offs between accuracy and efficiency. Our second contribution is to investigate the performance of several landmark selection techniques using a novel application of kernel methods for predicting structural responses due to earthquake load and material uncertainties. Our experiments exhibit the merits of our proposed landmark selection scheme against baselines., Comment: Accepted for publication in IEEE International Conference on Machine Learning and Applications (ICMLA)

Quantification of the impact of uncertainty in material properties as well as the input ground motion on structural responses is an important step in implementing a performance-based earthquake engineering (PBEE) framework. Among various sources of uncertainty, the variability in the input ground motions, a.k.a. record-to-record, greatly affects the assessment results. The objective of this paper is to quantify the uncertainty in structural response with hybrid uncertainty sources. In this paper, multiple matrix completion methods are proposed and applied on a case study structure. The matrix completion method is a means to estimate the analyses results for the entire set of input parameters by conducting analysis for only a small subset of analyses. The main algorithmic contributions of our proposed method are twofold. First, we develop a sampling technique for choosing a subset of representative simulations, which allows improving the accuracy of the estimated response. An unsupervised machine learning technique is used for this purpose. Next, the proposed matrix completion method for uncertainty quantification is further refined by incorporating a regression model that is trained on the available partial simulations. The regression model improves the initial sampling as it provides a rough estimation of the structural responses. Finally, the proposed algorithm is applied to a multi-degree-of-freedom system, and the structural responses (i.e., displacements and base shear) are estimated. Results show that the proposed algorithm can effectively estimate the response from a full set of nonlinear simulations by conducting analyses only on a small portion of the set., Comment: 11 pages

This article proposes a novel Nonlinear Model Predictive Control (NMPC) framework for Micro Aerial Vehicle (MAV) autonomous navigation in constrained environments. The introduced framework allows us to consider the nonlinear dynamics of MAVs and guarantees real-time performance. Our first contribution is to design a computationally efficient subspace clustering method to reveal from geometrical constraints to underlying constraint planes within a 3D point cloud, obtained from a 3D lidar scanner. The second contribution of our work is to incorporate the extracted information into the nonlinear constraints of NMPC for avoiding collisions. Our third contribution focuses on making the controller robust by considering the uncertainty of localization and NMPC using the Shannon entropy. This step enables us to track either the position or velocity references, or none of them if necessary. As a result, the collision avoidance constraints are defined in the local coordinates of MAVs and it remains active and guarantees collision avoidance, despite localization uncertainties, e.g., position estimation drifts. Additionally, as the platform continues the mission, this will result in less uncertain position estimations, due to the feature extraction and loop closure. The efficacy of the suggested framework has been evaluated using various simulations in the Gazebo environment.

Spectral clustering techniques are valuable tools in signal processing and machine learning for partitioning complex data sets. The effectiveness of spectral clustering stems from constructing a non-linear embedding based on creating a similarity graph and computing the spectral decomposition of the Laplacian matrix. However, spectral clustering methods fail to scale to large data sets because of high computational cost and memory usage. A popular approach for addressing these problems utilizes the Nystrom method, an efficient sampling-based algorithm for computing low-rank approximations to large positive semi-definite matrices. This paper demonstrates how the previously popular approach of Nystrom-based spectral clustering has severe limitations. Existing time-efficient methods ignore critical information by prematurely reducing the rank of the similarity matrix associated with sampled points. Also, current understanding is limited regarding how utilizing the Nystrom approximation will affect the quality of spectral embedding approximations. To address the limitations, this work presents a principled spectral clustering algorithm that exploits spectral properties of the similarity matrix associated with sampled points to regulate accuracy-efficiency trade-offs. We provide theoretical results to reduce the current gap and present numerical experiments with real and synthetic data. Empirical results demonstrate the efficacy and efficiency of the proposed method compared to existing spectral clustering techniques based on the Nystrom method and other efficient methods. The overarching goal of this work is to provide an improved baseline for future research directions to accelerate spectral clustering., Comment: Published in IEEE Open Journal of Signal Processing

This article proposes a novel unsupervised learning framework for detecting the number of tunnel junctions in subterranean environments based on acquired 2D point clouds. The implementation of the framework provides valuable information for high level mission planners to navigate an aerial platform in unknown areas or robot homing missions. The framework utilizes spectral clustering, which is capable of uncovering hidden structures from connected data points lying on non-linear manifolds. The spectral clustering algorithm computes a spectral embedding of the original 2D point cloud by utilizing the eigen decomposition of a matrix that is derived from the pairwise similarities of these points. We validate the developed framework using multiple data-sets, collected from multiple realistic simulations, as well as from real flights in underground environments, demonstrating the performance and merits of the proposed methodology.

The high cost of acquiring labels is one of the main challenges in deploying supervised machine learning algorithms. Active learning is a promising approach to control the learning process and address the difficulties of data labeling by selecting labeled training examples from a large pool of unlabeled instances. In this paper, we propose a new data-driven approach to active learning by choosing a small set of labeled data points that are both informative and representative. To this end, we present an efficient geometric technique to select a diverse core-set in a low-dimensional latent space obtained by training a Variational Autoencoder (VAE). Our experiments demonstrate an improvement in accuracy over two related techniques and, more importantly, signify the representation power of generative modeling for developing new active learning methods in high-dimensional data settings., Comment: 8 pages

Subspace clustering methods based on expressing each data point as a linear combination of all other points in a dataset are popular unsupervised learning techniques. However, existing methods incur high computational complexity on large-scale datasets as they require solving an expensive optimization problem and performing spectral clustering on large affinity matrices. This paper presents an efficient approach to subspace clustering by selecting a small subset of the input data called landmarks. The resulting subspace clustering method in the reduced domain runs in linear time with respect to the size of the original data. Numerical experiments on synthetic and real data demonstrate the effectiveness of our method., Comment: 9 pages, accepted for publication in 2019 IEEE International Workshop on Machine Learning for Signal Processing (MLSP)

Sparse subspace clustering (SSC) clusters $n$ points that lie near a union of low-dimensional subspaces. The SSC model expresses each point as a linear or affine combination of the other points, using either $\ell_1$ or $\ell_0$ regularization. Using $\ell_1$ regularization results in a convex problem but requires $O(n^2)$ storage, and is typically solved by the alternating direction method of multipliers which takes $O(n^3)$ flops. The $\ell_0$ model is non-convex but only needs memory linear in $n$, and is solved via orthogonal matching pursuit and cannot handle the case of affine subspaces. This paper shows that a proximal gradient framework can solve SSC, covering both $\ell_1$ and $\ell_0$ models, and both linear and affine constraints. For both $\ell_1$ and $\ell_0$, algorithms to compute the proximity operator in the presence of affine constraints have not been presented in the SSC literature, so we derive an exact and efficient algorithm that solves the $\ell_1$ case with just $O(n^2)$ flops. In the $\ell_0$ case, our algorithm retains the low-memory overhead, and is the first algorithm to solve the SSC-$\ell_0$ model with affine constraints. Experiments show our algorithms do not rely on sensitive regularization parameters, and they are less sensitive to sparsity misspecification and high noise., Comment: This paper is accepted for publication in Signal Processing

The Nystrom method is a popular technique that uses a small number of landmark points to compute a fixed-rank approximation of large kernel matrices that arise in machine learning problems. In practice, to ensure high quality approximations, the number of landmark points is chosen to be greater than the target rank. However, for simplicity the standard Nystrom method uses a sub-optimal procedure for rank reduction. In this paper, we examine the drawbacks of the standard Nystrom method in terms of poor performance and lack of theoretical guarantees. To address these issues, we present an efficient modification for generating improved fixed-rank Nystrom approximations. Theoretical analysis and numerical experiments are provided to demonstrate the advantages of the modified method over the standard Nystrom method. Overall, the aim of this paper is to convince researchers to use the modified method, as it has nearly identical computational complexity, is easy to code, has greatly improved accuracy in many cases, and is optimal in a sense that we make precise., Comment: Accepted in Neurocomputing. arXiv admin note: text overlap with arXiv:1612.06470

The Nystrom method has been popular for generating the low-rank approximation of kernel matrices that arise in many machine learning problems. The approximation quality of the Nystrom method depends crucially on the number of selected landmark points and the selection procedure. In this paper, we present a novel algorithm to compute the optimal Nystrom low-approximation when the number of landmark points exceed the target rank. Moreover, we introduce a randomized algorithm for generating landmark points that is scalable to large-scale data sets. The proposed method performs K-means clustering on low-dimensional random projections of a data set and, thus, leads to significant savings for high-dimensional data sets. Our theoretical results characterize the tradeoffs between the accuracy and efficiency of our proposed method. Extensive experiments demonstrate the competitive performance as well as the efficiency of our proposed method.

Kernel-based K-means clustering has gained popularity due to its simplicity and the power of its implicit non-linear representation of the data. A dominant concern is the memory requirement since memory scales as the square of the number of data points. We provide a new analysis of a class of approximate kernel methods that have more modest memory requirements, and propose a specific one-pass randomized kernel approximation followed by standard K-means on the transformed data. The analysis and experiments suggest the method is accurate, while requiring drastically less memory than standard kernel K-means and significantly less memory than Nystrom based approximations., Comment: To appear in IEEE GlobalSIP 2016

This paper focuses on the estimation of the sample covariance matrix from low-dimensional random projections of data known as compressive measurements. In particular, we present an unbiased estimator to extract the covariance structure from compressive measurements obtained by a general class of random projection matrices consisting of i.i.d. zero-mean entries and finite first four moments. In contrast to previous works, we make no structural assumptions about the underlying covariance matrix such as being low-rank. In fact, our analysis is based on a non-Bayesian data setting which requires no distributional assumptions on the set of data samples. Furthermore, inspired by the generality of the projection matrices, we propose an approach to covariance estimation that utilizes sparse Rademacher matrices. Therefore, our algorithm can be used to estimate the covariance matrix in applications with limited memory and computation power at the acquisition devices. Experimental results demonstrate that our approach allows for accurate estimation of the sample covariance matrix on several real-world data sets, including video data., Comment: IET Signal Processing

We analyze a compression scheme for large data sets that randomly keeps a small percentage of the components of each data sample. The benefit is that the output is a sparse matrix and therefore subsequent processing, such as PCA or K-means, is significantly faster, especially in a distributed-data setting. Furthermore, the sampling is single-pass and applicable to streaming data. The sampling mechanism is a variant of previous methods proposed in the literature combined with a randomized preconditioning to smooth the data. We provide guarantees for PCA in terms of the covariance matrix, and guarantees for K-means in terms of the error in the center estimators at a given step. We present numerical evidence to show both that our bounds are nearly tight and that our algorithms provide a real benefit when applied to standard test data sets, as well as providing certain benefits over related sampling approaches., Comment: 28 pages, 10 figures

Performing signal processing tasks on compressive measurements of data has received great attention in recent years. In this paper, we extend previous work on compressive dictionary learning by showing that more general random projections may be used, including sparse ones. More precisely, we examine compressive K-means clustering as a special case of compressive dictionary learning and give theoretical guarantees for its performance for a very general class of random projections. We then propose a memory and computation efficient dictionary learning algorithm, specifically designed for analyzing large volumes of high-dimensional data, which learns the dictionary from very sparse random projections. Experimental results demonstrate that our approach allows for reduction of computational complexity and memory/data access, with controllable loss in accuracy., Comment: 5 pages, 2 figures, accepted in Sampling Theory and Applications (SampTA) 2015