Statistical Learning
The Implicit Regularization of Momentum Gradient Descent with Early Stopping
Wang, Li, Zhou, Yingcong, Fu, Zhiguo
The study on the implicit regularization induced by gradient-based optimization is a longstanding pursuit. In the present paper, we characterize the implicit regularization of momentum gradient descent (MGD) with early stopping by comparing with the explicit $\ell_2$-regularization (ridge). In details, we study MGD in the continuous-time view, so-called momentum gradient flow (MGF), and show that its tendency is closer to ridge than the gradient descent (GD) [Ali et al., 2019] for least squares regression. Moreover, we prove that, under the calibration $t=\sqrt{2/\lambda}$, where $t$ is the time parameter in MGF and $\lambda$ is the tuning parameter in ridge regression, the risk of MGF is no more than 1.54 times that of ridge. In particular, the relative Bayes risk of MGF to ridge is between 1 and 1.035 under the optimal tuning. The numerical experiments support our theoretical results strongly.
Machine Learning for Multi-Output Regression: When should a holistic multivariate approach be preferred over separate univariate ones?
Schmid, Lena, Gerharz, Alexander, Groll, Andreas, Pauly, Markus
The hope of such multivariate analyses is, that the consideration of possible dependencies between the outcomes may lead to procedures with better power (in case of inference) or accuracy (in case of prediction) compared to separate univariate analyses. While the need for the development and use of valid and distributional robust or nonparametric multivariate methods has been recognized and addressed in inferential statistic (Dobler et al., 2020; Friedrich et al., 2019; Konietschke et al., 2015; Smaga, 2017; Vallejo and Ato, 2012; Zimmermann et al., 2020), there do not exist exhausting studies that exploit the potential of multivariate regression methods for prediction. Focussing on tree-based ensemble methods as the Random Forest, it is the aim of this manuscript to close this gap. In particular, we want to answer our research-motivating question: When should a holistic multivariate regression approach be preferred over separate univariate predictions? Corresponding Author Email address: lena.schmid@tu-dortmund.de (Lena Schmid)
A Kernel-Expanded Stochastic Neural Network
The deep neural network suffers from many fundamental issues in machine learning. For example, it often gets trapped into a local minimum in training, and its prediction uncertainty is hard to be assessed. To address these issues, we propose the so-called kernel-expanded stochastic neural network (K-StoNet) model, which incorporates support vector regression (SVR) as the first hidden layer and reformulates the neural network as a latent variable model. The former maps the input vector into an infinite dimensional feature space via a radial basis function (RBF) kernel, ensuring absence of local minima on its training loss surface. The latter breaks the high-dimensional nonconvex neural network training problem into a series of low-dimensional convex optimization problems, and enables its prediction uncertainty easily assessed. The K-StoNet can be easily trained using the imputation-regularized optimization (IRO) algorithm. Compared to traditional deep neural networks, K-StoNet possesses a theoretical guarantee to asymptotically converge to the global optimum and enables the prediction uncertainty easily assessed. The performances of the new model in training, prediction and uncertainty quantification are illustrated by simulated and real data examples.
Spatiotemporal Clustering with Neyman-Scott Processes via Connections to Bayesian Nonparametric Mixture Models
Wang, Yixin, Degleris, Anthony, Williams, Alex H., Linderman, Scott W.
Neyman-Scott processes (NSPs) are point process models that generate clusters of points in time or space. They are natural models for a wide range of phenomena, ranging from neural spike trains to document streams. The clustering property is achieved via a doubly stochastic formulation: first, a set of latent events is drawn from a Poisson process; then, each latent event generates a set of observed data points according to another Poisson process. This construction is similar to Bayesian nonparametric mixture models like the Dirichlet process mixture model (DPMM) in that the number of latent events (i.e. clusters) is a random variable, but the point process formulation makes the NSP especially well suited to modeling spatiotemporal data. While many specialized algorithms have been developed for DPMMs, comparatively fewer works have focused on inference in NSPs. Here, we present novel connections between NSPs and DPMMs, with the key link being a third class of Bayesian mixture models called mixture of finite mixture models (MFMMs). Leveraging this connection, we adapt the standard collapsed Gibbs sampling algorithm for DPMMs to enable scalable Bayesian inference on NSP models. We demonstrate the potential of Neyman-Scott processes on a variety of applications including sequence detection in neural spike trains and event detection in document streams.
Reasoning Through Memorization: Nearest Neighbor Knowledge Graph Embeddings
Zhang, Ningyu, Xie, Xin, Chen, Xiang, Deng, Shumin, Tan, Chuanqi, Huang, Fei, Cheng, Xu, Chen, Huajun
Previous knowledge graph embedding approaches usually map entities to representations and utilize score functions to predict the target entities, yet they struggle to reason rare or emerging unseen entities. In this paper, we propose kNN-KGE, a new knowledge graph embedding approach, by linearly interpolating its entity distribution with k-nearest neighbors. We compute the nearest neighbors based on the distance in the entity embedding space from the knowledge store. Our approach can allow rare or emerging entities to be memorized explicitly rather than implicitly in model parameters. Experimental results demonstrate that our approach can improve inductive and transductive link prediction results and yield better performance for low-resource settings with only a few triples, which might be easier to reason via explicit memory.
Synthesising Electronic Health Records: Cystic Fibrosis Patient Group
Muller, Emily, Zheng, Xu, Hayes, Jer
Class imbalance can often degrade predictive performance of supervised learning algorithms. Balanced classes can be obtained by oversampling exact copies, with noise, or interpolation between nearest neighbours (as in traditional SMOTE methods). Oversampling tabular data using augmentation, as is typical in computer vision tasks, can be achieved with deep generative models. Deep generative models are effective data synthesisers due to their ability to capture complex underlying distributions. Synthetic data in healthcare can enhance interoperability between healthcare providers by ensuring patient privacy. Equipped with large synthetic datasets which do well to represent small patient groups, machine learning in healthcare can address the current challenges of bias and generalisability. This paper evaluates synthetic data generators ability to synthesise patient electronic health records. We test the utility of synthetic data for patient outcome classification, observing increased predictive performance when augmenting imbalanced datasets with synthetic data.
Artificial Intelligence in Software Testing : Impact, Problems, Challenges and Prospect
Khaliq, Zubair, Farooq, Sheikh Umar, Khan, Dawood Ashraf
Artificial Intelligence (AI) is making a significant impact in multiple areas like medical, military, industrial, domestic, law, arts as AI is capable to perform several roles such as managing smart factories, driving autonomous vehicles, creating accurate weather forecasts, detecting cancer and personal assistants, etc. Software testing is the process of putting the software to test for some abnormal behaviour of the software. Software testing is a tedious, laborious and most time-consuming process. Automation tools have been developed that help to automate some activities of the testing process to enhance quality and timely delivery. Over time with the inclusion of continuous integration and continuous delivery (CI/CD) pipeline, automation tools are becoming less effective. The testing community is turning to AI to fill the gap as AI is able to check the code for bugs and errors without any human intervention and in a much faster way than humans. In this study, we aim to recognize the impact of AI technologies on various software testing activities or facets in the STLC. Further, the study aims to recognize and explain some of the biggest challenges software testers face while applying AI to testing. The paper also proposes some key contributions of AI in the future to the domain of software testing.
Probabilistic spatial clustering based on the Self Discipline Learning (SDL) model of autonomous learning
Gu, Zecang, Sun, Xiaoqi, Sun, Yuan, Zhang, Fuquan
Unsupervised clustering algorithm can effectively reduce the dimension of high-dimensional unlabeled data, thus reducing the time and space complexity of data processing. However, the traditional clustering algorithm needs to set the upper bound of the number of categories in advance, and the deep learning clustering algorithm will fall into the problem of local optimum. In order to solve these problems, a probabilistic spatial clustering algorithm based on the Self Discipline Learning(SDL) model is proposed. The algorithm is based on the Gaussian probability distribution of the probability space distance between vectors, and uses the probability scale and maximum probability value of the probability space distance as the distance measurement judgment, and then determines the category of each sample according to the distribution characteristics of the data set itself. The algorithm is tested in Laboratory for Intelligent and Safe Automobiles(LISA) traffic light data set, the accuracy rate is 99.03%, the recall rate is 91%, and the effect is achieved.
Machine Learning of polymer types from the spectral signature of Raman spectroscopy microplastics data
Ramanna, Sheela, Morozovskii, Danila, Swanson, Sam, Bruneau, Jennifer
The tools and technology that are currently used to analyze chemical compound structures that identify polymer types in microplastics are not well-calibrated for environmentally weathered microplastics. Microplastics that have been degraded by environmental weathering factors can offer less analytic certainty than samples of microplastics that have not been exposed to weathering processes. Machine learning tools and techniques allow us to better calibrate the research tools for certainty in microplastics analysis. In this paper, we investigate whether the signatures (Raman shift values) are distinct enough such that well studied machine learning (ML) algorithms can learn to identify polymer types using a relatively small amount of labeled input data when the samples have not been impacted by environmental degradation. Several ML models were trained on a well-known repository, Spectral Libraries of Plastic Particles (SLOPP), that contain Raman shift and intensity results for a range of plastic particles, then tested on environmentally aged plastic particles (SloPP-E) consisting of 22 polymer types. After extensive preprocessing and augmentation, the trained random forest model was then tested on the SloPP-E dataset resulting in an improvement in classification accuracy of 93.81% from 89%.
Clustering : The Craft of Segmentation
Clustering is the unsupervised learning process of segmenting observations, or dataset into number of groups such that data points have more similarity within the groups than those to the data points in other groups. It is one of the most frequently used analytical process. It helps tremendously in finding of homogeneous groups across the dataset. Clustering algorithms uses different measures to check similarity in order to cluster the observations. The type of similarity measure plays an important role in the final cluster formation.