In the previous post, we explained how we can reduce the dimensions by applying PCA and t-SNE and how we can apply Non-Negative Matrix Factorization for the same scope. In this post, we will provide a concrete example of how we can apply Autoeconders for Dimensionality Reduction. We will work with Python and TensorFlow 2.x. We will use the MNIST dataset of TensorFlow, where the images are 28 x 28 dimensions, in other words, if we flatten the dimensions, we are dealing with 784 dimensions. Our goal is to reduce the dimensions, from 784 to 2, by including as much information as possible.

Splitting and scaling a dataset seems easy. Well, it is admittedly not that hard, however it can be tricky. Today we will see how to properly split and scale a dataset, as this step if often necessary before any ML wizardry. Let us do this with a few R & Python packages/modules.

This is a simple overview of the k-NN process. Perhaps the most challenging step is finding a k that's "just right". The square root of n can put you in the ballpark, but ideally you should use a training set (i.e. a nicely categorized set) to find a "k" that works for your data. Remove a few categorized data points and make them "unknowns", testing a few values for k to see what works.

Artificial Intelligence (AI) has taken the world by storm. Almost every industry across the globe is incorporating AI for a variety of applications and use cases. Some of its wide range of applications includes process automation, predictive analysis, fraud detection, improving customer experience, etc. To learn more about AI and it's concepts, you can start by reading the Top Artificial Intelligence Books for self-learning. AI is being foreseen as the future of technological and economic development.

In recent years, the use of Machine Learning (ML) in computational chemistry has enabled numerous advances previously out of reach due to the computational complexity of traditional electronic-structure methods. One of the most promising applications is the construction of ML-based force fields (FFs), with the aim to narrow the gap between the accuracy of ab initio methods and the efficiency of classical FFs. The key idea is to learn the statistical relation between chemical structure and potential energy without relying on a preconceived notion of fixed chemical bonds or knowledge about the relevant interactions. Such universal ML approximations are in principle only limited by the quality and quantity of the reference data used to train them. This review gives an overview of applications of ML-FFs and the chemical insights that can be obtained from them. The core concepts underlying ML-FFs are described in detail and a step-by-step guide for constructing and testing them from scratch is given. The text concludes with a discussion of the challenges that remain to be overcome by the next generation of ML-FFs.

Online decision-making problem requires us to make a sequence of decisions based on incremental information. Common solutions often need to learn a reward model of different actions given the contextual information and then maximize the long-term reward. It is meaningful to know if the posited model is reasonable and how the model performs in the asymptotic sense. We study this problem under the setup of the contextual bandit framework with a linear reward model. The $\varepsilon$-greedy policy is adopted to address the classic exploration-and-exploitation dilemma. Using the martingale central limit theorem, we show that the online ordinary least squares estimator of model parameters is asymptotically normal. When the linear model is misspecified, we propose the online weighted least squares estimator using the inverse propensity score weighting and also establish its asymptotic normality. Based on the properties of the parameter estimators, we further show that the in-sample inverse propensity weighted value estimator is asymptotically normal. We illustrate our results using simulations and an application to a news article recommendation dataset from Yahoo!.

Standard supervised learning breaks down under data distribution shift. However, the principle of independent causal mechanisms (ICM, Peters et al. (2017)) can turn this weakness into an opportunity: one can take advantage of distribution shift between different environments during training in order to obtain more robust models. We propose a new gradient-based learning framework whose objective function is derived from the ICM principle. We show theoretically and experimentally that neural networks trained in this framework focus on relations remaining invariant across environments and ignore unstable ones. Moreover, we prove that the recovered stable relations correspond to the true causal mechanisms under certain conditions. In both regression and classification, the resulting models generalize well to unseen scenarios where traditionally trained models fail.

Energy-Based Models (EBMs) present a flexible and appealing way to represent uncertainty. Despite recent advances, training EBMs on high-dimensional data remains a challenging problem as the state-of-the-art approaches are costly, unstable, and require considerable tuning and domain expertise to apply successfully. In this work, we present a simple method for training EBMs at scale which uses an entropy-regularized generator to amortize the MCMC sampling typically used in EBM training. We improve upon prior MCMC-based entropy regularization methods with a fast variational approximation. We demonstrate the effectiveness of our approach by using it to train tractable likelihood models. Next, we apply our estimator to the recently proposed Joint Energy Model (JEM), where we match the original performance with faster and stable training. This allows us to extend JEM models to semi-supervised classification on tabular data from a variety of continuous domains.

In this paper, we introduce InstantEmbedding, an efficient method for generating single-node representations using local PageRank computations. We theoretically prove that our approach produces globally consistent representations in sublinear time. We demonstrate this empirically by conducting extensive experiments on real-world datasets with over a billion edges. Our experiments confirm that InstantEmbedding requires drastically less computation time (over 9,000 times faster) and less memory (by over 8,000 times) to produce a single node's embedding than traditional methods including DeepWalk, node2vec, VERSE, and FastRP. We also show that our method produces high quality representations, demonstrating results that meet or exceed the state of the art for unsupervised representation learning on tasks like node classification and link prediction.

Healthcare programs such as Medicaid provide crucial services to vulnerable populations, but due to limited resources, many of the individuals who need these services the most languish on waiting lists. Survival models, e.g. the Cox proportional hazards model, can potentially improve this situation by predicting individuals' levels of need, which can then be used to prioritize the waiting lists. Providing care to those in need can prevent institutionalization for those individuals, which both improves quality of life and reduces overall costs. While the benefits of such an approach are clear, care must be taken to ensure that the prioritization process is fair or independent of demographic information-based harmful stereotypes. In this work, we develop multiple fairness definitions for survival models and corresponding fair Cox proportional hazards models to ensure equitable allocation of healthcare resources. We demonstrate the utility of our methods in terms of fairness and predictive accuracy on two publicly available survival datasets.