Data Shapley: Equitable Valuation of Data for Machine Learning As data becomes the fuel driving technological and economic growth, a fundamental challenge is how to quantify the value of data in algorithmic predictions and decisions. For example, in healthcare and consumer markets, it has been suggested that individuals should be compensated for the data that they generate, but it is not clear what is an equitable valuation for individual data. In this work, we develop a principled framework to address data valuation in the context of supervised machine learning. Given a learning algorithm trained on data points to produce a predictor, we propose data Shapley as a metric to quantify the value of each training datum to the predictor performance. Data Shapley uniquely satisfies several natural properties of equitable data valuation. We develop Monte Carlo and gradient-based methods to efficiently estimate data Shapley values in practical settings where complex learning algorithms, including neural networks, are trained on large datasets. In addition to being equitable, extensive experiments across biomedical, image and synthetic data demonstrate that data Shapley has several other benefits: 1) it is more powerful than the popular leave-one-out or leverage score in providing insight on what data is more valuable for a given learning task; 2) low Shapley value data effectively capture outliers and corruptions; 3) high Shapley value data inform what type of new data to acquire to improve the predictor. Feature Grouping as a Stochastic Regularizer for High-Dimensional Structured Data In many applications where collecting data is expensive, for example neuroscience or medical imaging, the sample size is typically small compared to the feature dimension. It is challenging in this setting to train expressive, non-linear models without overfitting. These datasets call for intelligent regularization that exploits known structure, such as correlations between the features arising from the measurement device. However, existing structured regularizers need specially crafted solvers, which are difficult to apply to complex models. We propose a new regularizer specifically designed to leverage structure in the data in a way that can be applied efficiently to complex models. Our approach relies on feature grouping, using a fast clustering algorithm inside a stochastic gradient descent loop: given a family of feature groupings that capture feature covariations, we randomly select these groups at each iteration. We show that this approach amounts to enforcing a denoising regularizer on the solution. The method is easy to implement in many model architectures, such as fully connected neural networks, and has a linear computational cost. We apply this regularizer to a real-world fMRI dataset and the Olivetti Faces datasets. Experiments on both datasets demonstrate that the proposed approach produces models that generalize better than those trained with conventional regularizers, and also improves convergence speed. Metric-Optimized Example Weights Real-world machine learning applications often have complex test metrics, and may have training and test data that are not identically distributed. Motivated by known connections between complex test metrics and cost-weighted learning, we propose addressing these issues by using a weighted loss function with a standard loss, where the weights on the training examples are learned to optimize the test metric on a validation set. These metric-optimized example weights can be learned for any test metric, including black box and customized ones for specific applications. We illustrate the performance of the proposed method on diverse public benchmark datasets and real-world applications. We also provide a generalization bound for the method. Improving Model Selection by Employing the Test Data Model selection and evaluation are usually strictly separated by means of data splitting to enable an unbiased estimation and a simple statistical inference for the unknown generalization performance of the final prediction model. We investigate the properties of novel evaluation strategies, namely when the final model is selected based on empirical performances on the test data. To guard against selection induced overoptimism, we employ a parametric multiple test correction based on the approximate multivariate distribution of performance estimates. Our numerical experiments involve training common machine learning algorithms (EN, CART, SVM, XGB) on various artificial classification tasks. At its core, our proposed approach improves model selection in terms of the expected final model performance without introducing overoptimism. We furthermore observed a higher probability for a successful evaluation study, making it easier in practice to empirically demonstrate a sufficiently high predictive performance. Topological Data Analysis of Decision Boundaries with Application to Model Selection We propose the labeled Cech complex, the plain labeled Vietoris-Rips complex, and the locally scaled labeled Vietoris-Rips complex to perform persistent homology inference of decision boundaries in classification tasks. We provide theoretical conditions and analysis for recovering the homology of a decision boundary from samples. Our main objective is quantification of deep neural network complexity to enable matching of datasets to pre-trained models to facilitate the functioning of AI marketplaces; we report results for experiments using MNIST, FashionMNIST, and CIFAR10. Contextual Memory Trees We design and study a Contextual Memory Tree (CMT), a learning memory controller that inserts new memories into an experience store of unbounded size. It operates online and is designed to efficiently query for memories from that store, supporting logarithmic time insertion and retrieval operations. Hence CMT can be integrated into existing statistical learning algorithms as an augmented memory unit without substantially increasing training and inference computation. Furthermore CMT operates as a reduction to classification, allowing it to benefit from advances in representation or architecture. We demonstrate the efficacy of CMT by augmenting existing multi-class and multi-label classification algorithms with CMT and observe statistical improvement. We also test CMT learning on several image-captioning tasks to demonstrate that it performs computationally better than a simple nearest neighbors memory system while benefitting from reward learning. Sparse Extreme Multi-label Learning with Oracle Property The pioneering work of sparse local embeddings on multilabel learning has shown great promise in multilabel classification. Unfortunately, the statistical rate of convergence and oracle property of sparse local embeddings are still not well understood. To fill this gap, we present a unified framework for this method with nonconvex penalty. Theoretically, we rigorously prove that our proposed estimator enjoys oracle property (i.e., performs as well as if the underlying model were known beforehand), and obtains a desirable statistical convergence rate. Moreover, we show that under a mild condition on the magnitude of the entries in the underlying model, we are able to obtain an improved convergence rate. Extensive numerical experiments verify our theoretical findings and the superiority of our proposed estimator. Shape Constraints for Set Functions Set functions predict a label from a permutation-invariant variable-size collection of feature vectors. We propose making set functions more understandable and regularized by capturing domain knowledge through shape constraints. We show how prior work in monotonic constraints can be adapted to set functions. Then we propose two new shape constraints designed to generalize the conditioning role of weights in a weighted mean. We show how one can train standard functions and set functions that satisfy these shape constraints with a deep lattice network. We propose a nonlinear estimation strategy we call the semantic feature engine that uses set functions with the proposed shape constraints to estimate labels for compound sparse categorical features. Experiments on real-world data show the achieved accuracy is similar to deep sets or deep neural networks, but provides guarantees of the model behavior and is thus easier to explain and debug. On The Power of Curriculum Learning in Training Deep Networks Training neural networks is traditionally done by providing a sequence of random mini-batches sampled uniformly from the entire training data. In this work, we analyze the effects of curriculum learning, which involves the dynamic non-uniform sampling of mini-batches, on the training of deep networks, and specifically CNNs trained on image recognition. To employ curriculum learning, the training algorithm must resolve 2 problems: (i) sort the training examples by difficulty; (ii) compute a series of mini-batches that exhibit an increasing level of difficulty. We address challenge (i) using two methods: transfer learning from some competitive "teacher" network, and bootstrapping. We show that both methods show similar benefits in terms of increased learning speed and improved final performance on test data. We address challenge (ii) by investigating different pacing functions to guide the sampling. The empirical investigation includes a variety of network architectures, using images from CIFAR-10, CIFAR-100 and subsets of ImageNet. We conclude with a novel theoretical analysis of curriculum learning, where we show how it effectively modifies the optimization landscape. We then define the concept of an ideal curriculum, and show that under mild conditions it does not change the corresponding global minimum of the optimization function. Voronoi Boundary Classification: A High-Dimensional Geometric Approach via Weighted Monte Carlo Integration Voronoi cell decompositions provide a classical avenue to classification. Typical approaches however only utilize point-wise cell-membership information since the computation of a Voronoi diagram is prohibitively expensive in high dimensions. We propose a Monte-Carlo integration based approach that instead computes a weighted integral over the boundaries of Voronoi cells, thus incorporating additional information about the Voronoi cell structure. We demonstrate the scalability of our approach in up to 3072 dimensional spaces and analyze the convergence based on the number of Monte Carlo samples and choice of weight functions. Experiments comparing our approach to nearest neighbors, SVM and Random Forests indicate that while our approach performs similarly to random forests for large data sizes, the algorithm exhibits non-trivial data-dependent performance characteristics for smaller datasets and can be analyzed in terms of a geometric confidence measure, thus adding to the repertoire of geometric approaches to classification while having the benefit of not requiring any model changes or retraining as new training samples or classes are added.

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