We introduce an algorithm for computing geodesics on sampled manifolds that relies on simulation of quantum dynamics on a graph embedding of the sampled data. Our approach exploits classic results in semiclassical analysis and the quantum-classical correspondence, and forms a basis for techniques to learn the manifold from which a dataset is sampled, and subsequently for nonlinear dimensionality reduction of high-dimensional datasets. We illustrate the new algorithm with data sampled from model manifolds and also by a clustering demonstration based on COVID-19 mobility data. Finally, our method reveals interesting connections between the discretization provided by data sampling and quantization.

Existing explanation methods for black-box supervised learning models generally work by building local models that explain the models behaviour for a particular data item. It is possible to make global explanations, but the explanations may have low fidelity for complex models. Most of the prior work on explainable models has been focused on classification problems, with less attention on regression. We propose a new manifold visualization method, SLISEMAP, that at the same time finds local explanations for all of the data items and builds a two-dimensional visualization of model space such that the data items explained by the same model are projected nearby. We provide an open source implementation of our methods, implemented by using GPU-optimized PyTorch library. SLISEMAP works both on classification and regression models. We compare SLISEMAP to most popular dimensionality reduction methods and some local explanation methods. We provide mathematical derivation of our problem and show that SLISEMAP provides fast and stable visualizations that can be used to explain and understand black box regression and classification models.

Self-supervised representation learning (SSL) on biomedical networks provides new opportunities for drug discovery which is lack of available biological or clinic phenotype. However, how to effectively combine multiple SSL models is challenging and rarely explored. Therefore, we propose multi-task joint strategies of self-supervised representation learning on biomedical networks for drug discovery, named MSSL2drug. We design six basic SSL tasks that are inspired by various modality features including structures, semantics, and attributes in biomedical heterogeneous networks. In addition, fifteen combinations of multiple tasks are evaluated by a graph attention-based adversarial multi-task learning framework in two drug discovery scenarios. The results suggest two important findings. (1) The combinations of multimodal tasks achieve the best performance compared to other multi-task joint strategies. (2) The joint training of local and global SSL tasks yields higher performance than random task combinations. Therefore, we conjecture that the multimodal and local-global combination strategies can be regarded as a guideline for multi-task SSL to drug discovery.

This is Part II of the two-part comprehensive survey devoted to a computing framework most commonly known under the names Hyperdimensional Computing and Vector Symbolic Architectures (HDC/VSA). Both names refer to a family of computational models that use high-dimensional distributed representations and rely on the algebraic properties of their key operations to incorporate the advantages of structured symbolic representations and vector distributed representations. Holographic Reduced Representations is an influential HDC/VSA model that is well-known in the machine learning domain and often used to refer to the whole family. However, for the sake of consistency, we use HDC/VSA to refer to the area. Part I of this survey covered foundational aspects of the area, such as historical context leading to the development of HDC/VSA, key elements of any HDC/VSA model, known HDC/VSA models, and transforming input data of various types into high-dimensional vectors suitable for HDC/VSA. This second part surveys existing applications, the role of HDC/VSA in cognitive computing and architectures, as well as directions for future work. Most of the applications lie within the machine learning/artificial intelligence domain, however we also cover other applications to provide a thorough picture. The survey is written to be useful for both newcomers and practitioners.

Jupyter notebooks that walk you through the fundamentals of Machine Learning and Deep Learning in Python using Scikit-Learn, Keras and TensorFlow 2.  Source: from the Support Vector Machines chapter, here Content The machine learning landscape End to end machine learning project Classification Training linear models Support vector machines Decision trees Ensemble learning and random forests… Read More »Jupyter Notebooks: Fundamentals of Machine Learning and Deep Learning

Master Apache Spark - Hands On! - Learn how to slice and dice data using the next generation big data platform - Apache Spark! Some basic Java programming experience is required. A crash course on Java 8 lambdas is included You will need a personal computer with an internet connection. The software needed for this course is completely freely and I'll walk you through the steps on how to get it installed on your computer Some basic Java programming experience is required. You will need a personal computer with an internet connection.

Data transformation (DT) is a process that transfers the original data into a form which supports a particular classification algorithm and helps to analyze the data for a special purpose. To improve the prediction performance we investigated various data transform methods. This study is conducted in a customer churn prediction (CCP) context in the telecommunication industry (TCI), where customer attrition is a common phenomenon. We have proposed a novel approach of combining data transformation methods with the machine learning models for the CCP problem. We conducted our experiments on publicly available TCI datasets and assessed the performance in terms of the widely used evaluation measures (e.g. AUC, precision, recall, and F-measure). In this study, we presented comprehensive comparisons to affirm the effect of the transformation methods. The comparison results and statistical test proved that most of the proposed data transformation based optimized models improve the performance of CCP significantly. Overall, an efficient and optimized CCP model for the telecommunication industry has been presented through this manuscript.

This paper present a strong data mining method based on rough set, which can realize feature selection, classification and knowledge representation at the same time. Rough set has good interpretability, and is a popular method for feature selections. But low efficiency and low accuracy are its main drawbacks that limits its application ability. In this paper,corresponding to the accuracy, we first find the ineffectiveness of rough set because of overfitting, especially in processing noise attribute, and propose a robust measurement for an attribute, called relative importance.we proposed the concept of "rough concept tree" for knowledge representation and classification. Experimental results on public benchmark data sets show that the proposed framework achieves higher accurcy than seven popular or the state-of-the-art feature selection methods.

Despite the widespread adoption of neural networks, their training dynamics remain poorly understood. We show experimentally that as the size of the dataset increases, a point forms where the magnitude of the gradient of the loss becomes unbounded. Gradient descent rapidly brings the network close to this singularity in parameter space, and further training takes place near it. This singularity explains a variety of phenomena recently observed in the Hessian of neural network loss functions, such as training on the edge of stability and the concentration of the gradient in a top subspace. Once the network approaches the singularity, the top subspace contributes little to learning, even though it constitutes the majority of the gradient.

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a threshold on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (W In our experiments, ATC estimates target performance 2-4ˆ more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works. Machine learning models deployed in the real world typically encounter examples from previously unseen distributions. While the IID assumption enables us to evaluate models using held-out data from the source distribution (from which training data is sampled), this estimate is no longer valid in presence of a distribution shift. Moreover, under such shifts, model accuracy tends to degrade (Szegedy et al., 2014; Recht et al., 2019; Koh et al., 2021). Commonly, the only data available to the practitioner are a labeled training set (source) and unlabeled deployment-time data which makes the problem more difficult. In this setting, detecting shifts in the distribution of covariates is known to be possible (but difficult) in theory (Ramdas et al., 2015), and in practice (Rabanser et al., 2018). However, producing an optimal predictor using only labeled source and unlabeled target data is well-known to be impossible absent further assumptions (Ben-David et al., 2010; Lipton et al., 2018). Two vital questions that remain are: (i) the precise conditions under which we can estimate a classifier's target-domain accuracy; and (ii) which methods are most practically useful. To begin, the straightforward way to assess the performance of a model under distribution shift would be to collect labeled (target domain) examples and then to evaluate the model on that data. However, collecting fresh labeled data from the target distribution is prohibitively expensive and time-consuming, especially if the target distribution is non-stationary.