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Ramy Arnaout

Publications and source records attributed to Ramy Arnaout.

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Which Similarity-Sensitive Entropy (Sentropy)?

Shannon entropy is not the only entropy that is relevant to machine-learning datasets, nor possibly even the most important one. Traditional entropies such as Shannon entropy capture information represented by elements' frequencies but not the richer information encoded by their similarities and differences. Capturing the latter requires similarity-sensitive entropy (``sentropy''). Sentropy can be measured using either the recently developed Leinster-Cobbold-Reeve framework (LCR) or the newer Vendi score (VS). This raises the practical question of which one to use: LCR or VS. Here we address this question theoretically and numerically, using 53 large and well-known imaging and tabular datasets. We find that LCR and VS values can differ by orders of magnitude and are complementary, except in limiting cases. We show that both LCR and VS results depend on how similarities are scaled, and introduce the notion of ``half-distance'' to parameterize this dependence. We prove the VS provides an upper bound on LCR for all non-negative values of the Rényi-Hill order parameter, as well as for negative values in the special case that the similarity matrix is full rank. We conclude that VS is preferable only when a dataset's elements can be usefully interpreted as linear combinations of a more fundamental set of ``ur-elements'' or when the system that the dataset describes has a quantum-mechanical character. In the broader case where one simply wishes to capture the rich information encoded by elements' similarities and differences as well as their frequencies, we propose that LCR should be favored; nevertheless, for certain half-distances the two methods can complement each other.

cs.IT

$\textit{sentropy}$: A Python Package for Revealing Hidden Differences in Complex Datasets

Machine-learning datasets are typically characterized by measuring their size and class balance. However, there exists a richer and potentially more useful set of measures, termed S-entropy (similarity-sensitive entropy), that incorporate elements' frequencies and between-element similarities. Although these have been available in the R and Julia programming languages for other applications, they have not been as readily available in Python, which is widely used for machine learning, and are not easily applied to machine-learning-sized datasets without special coding considerations. To address these issues, we developed $\textit{sentropy}$, a Python package that calculates S-entropy and is tailored to large datasets. $\textit{sentropy}$ can calculate any of the frequency-sensitive measures of Hill's D-number framework and their similarity-sensitive counterparts. $\textit{sentropy}$ also outputs measures that compare datasets. We first briefly review S-entropy, illustrating how it incorporates elements' frequencies and elements' pairwise similarities. We then describe $\textit{sentropy}$'s key features and usage. We end with several examples - immunomics, metagenomics, computational pathology, and medical imaging - illustrating $\textit{sentropy}$'s applicability across a range of dataset types and fields.

q-bio.QM

GEM-T: Generative Tabular Data via Fitting Moments

Tabular data dominates data science but poses challenges for generative models, especially when the data is limited or sensitive. We present a novel approach to generating synthetic tabular data based on the principle of maximum entropy -- MaxEnt -- called GEM-T, for ``generative entropy maximization for tables.'' GEM-T directly captures nth-order interactions -- pairwise, third-order, etc. -- among columns of training data. In extensive testing, GEM-T matches or exceeds deep neural network approaches previously regarded as state-of-the-art in 23 of 34 publicly available datasets representing diverse subject domains (68\%). Notably, GEM-T involves orders-of-magnitude fewer trainable parameters, demonstrating that much of the information in real-world data resides in low-dimensional, potentially human-interpretable correlations, provided that the input data is appropriately transformed first. Furthermore, MaxEnt better handles heterogeneous data types (continuous vs. discrete vs. categorical), lack of local structure, and other features of tabular data. GEM-T represents a promising direction for light-weight high-performance generative models for structured data.

cs.LG

X-Factor: Quality Is a Dataset-Intrinsic Property

In the universal quest to optimize machine-learning classifiers, three factors -- model architecture, dataset size, and class balance -- have been shown to influence test-time performance but do not fully account for it. Previously, evidence was presented for an additional factor that can be referred to as dataset quality, but it was unclear whether this was actually a joint property of the dataset and the model architecture, or an intrinsic property of the dataset itself. If quality is truly dataset-intrinsic and independent of model architecture, dataset size, and class balance, then the same datasets should perform better (or worse) regardless of these other factors. To test this hypothesis, here we create thousands of datasets, each controlled for size and class balance, and use them to train classifiers with a wide range of architectures, from random forests and support-vector machines to deep networks. We find that classifier performance correlates strongly by subset across architectures ($R^2=0.79$), supporting quality as an intrinsic property of datasets independent of dataset size and class balance and of model architecture. Digging deeper, we find that dataset quality appears to be an emergent property of something more fundamental: the quality of datasets' constituent classes. Thus, quality joins size, class balance, and model architecture as an independent correlate of performance and a separate target for optimizing machine-learning-based classification.

cs.LG

Grade Inflation in Generative Models

Generative models hold great potential, but only if one can trust the evaluation of the data they generate. We show that many commonly used quality scores for comparing two-dimensional distributions of synthetic vs. ground-truth data give better results than they should, a phenomenon we call the "grade inflation problem." We show that the correlation score, Jaccard score, earth-mover's score, and Kullback-Leibler (relative-entropy) score all suffer grade inflation. We propose that any score that values all datapoints equally, as these do, will also exhibit grade inflation; we refer to such scores as "equipoint" scores. We introduce the concept of "equidensity" scores, and present the Eden score, to our knowledge the first example of such a score. We found that Eden avoids grade inflation and agrees better with human perception of goodness-of-fit than the equipoint scores above. We propose that any reasonable equidensity score will avoid grade inflation. We identify a connection between equidensity scores and Rényi entropy of negative order. We conclude that equidensity scores are likely to outperform equipoint scores for generative models, and for comparing low-dimensional distributions more generally.

cs.AI

$\textit{lucie}$: An Improved Python Package for Loading Datasets from the UCI Machine Learning Repository

The University of California--Irvine (UCI) Machine Learning (ML) Repository (UCIMLR) is consistently cited as one of the most popular dataset repositories, hosting hundreds of high-impact datasets. However, a significant portion, including 28.4% of the top 250, cannot be imported via the $\textit{ucimlrepo}$ package that is provided and recommended by the UCIMLR website. Instead, they are hosted as .zip files, containing nonstandard formats that are difficult to import without additional ad hoc processing. To address this issue, here we present $\textit{lucie}$ -- $\underline{l}oad$ $\underline{U}niversity$ $\underline{C}alifornia$ $\underline{I}rvine$ $\underline{e}xamples$ -- a utility that automatically determines the data format and imports many of these previously non-importable datasets, while preserving as much of a tabular data structure as possible. $\textit{lucie}$ was designed using the top 100 most popular datasets and benchmarked on the next 130, where it resulted in a success rate of 95.4% vs. 73.1% for $\textit{ucimlrepo}$. $\textit{lucie}$ is available as a Python package on PyPI with 98% code coverage.

cs.LG

Beyond Size and Class Balance: Alpha as a New Dataset Quality Metric for Deep Learning

In deep learning, achieving high performance on image classification tasks requires diverse training sets. However, the current best practice$\unicode{x2013}$maximizing dataset size and class balance$\unicode{x2013}$does not guarantee dataset diversity. We hypothesized that, for a given model architecture, model performance can be improved by maximizing diversity more directly. To test this hypothesis, we introduce a comprehensive framework of diversity measures from ecology that generalizes familiar quantities like Shannon entropy by accounting for similarities among images. (Size and class balance emerge as special cases.) Analyzing thousands of subsets from seven medical datasets showed that the best correlates of performance were not size or class balance but $A$$\unicode{x2013}$"big alpha"$\unicode{x2013}$a set of generalized entropy measures interpreted as the effective number of image-class pairs in the dataset, after accounting for image similarities. One of these, $A_0$, explained 67% of the variance in balanced accuracy, vs. 54% for class balance and just 39% for size. The best pair of measures was size-plus-$A_1$ (79%), which outperformed size-plus-class-balance (74%). Subsets with the largest $A_0$ performed up to 16% better than those with the largest size (median improvement, 8%). We propose maximizing $A$ as a way to improve deep learning performance in medical imaging.

cs.CV

Scaling Monte-Carlo-Based Inference on Antibody and TCR Repertoires

Previously, it has been shown that maximum-entropy models of immune-repertoire sequence can be used to determine a person's vaccination status. However, this approach has the drawback of requiring a computationally intensive method to compute each model's partition function ($Z$), the normalization constant required for calculating the probability that the model will generate a given sequence. Specifically, the method required generating approximately $10^{10}$ sequences via Monte-Carlo simulations for each model. This is impractical for large numbers of models. Here we propose an alternative method that requires estimating $Z$ this way for only a few models: it then uses these expensive estimates to estimate $Z$ more efficiently for the remaining models. We demonstrate that this new method enables the generation of accurate estimates for 27 models using only three expensive estimates, thereby reducing the computational cost by an order of magnitude. Importantly, this gain in efficiency is achieved with only minimal impact on classification accuracy. Thus, this new method enables larger-scale investigations in computational immunology and represents a useful contribution to energy-based modeling more generally.

q-bio.QM

Fast and accurate classification of echocardiograms using deep learning

Echocardiography is essential to modern cardiology. However, human interpretation limits high throughput analysis, limiting echocardiography from reaching its full clinical and research potential for precision medicine. Deep learning is a cutting-edge machine-learning technique that has been useful in analyzing medical images but has not yet been widely applied to echocardiography, partly due to the complexity of echocardiograms' multi view, multi modality format. The essential first step toward comprehensive computer assisted echocardiographic interpretation is determining whether computers can learn to recognize standard views. To this end, we anonymized 834,267 transthoracic echocardiogram (TTE) images from 267 patients (20 to 96 years, 51 percent female, 26 percent obese) seen between 2000 and 2017 and labeled them according to standard views. Images covered a range of real world clinical variation. We built a multilayer convolutional neural network and used supervised learning to simultaneously classify 15 standard views. Eighty percent of data used was randomly chosen for training and 20 percent reserved for validation and testing on never seen echocardiograms. Using multiple images from each clip, the model classified among 12 video views with 97.8 percent overall test accuracy without overfitting. Even on single low resolution images, test accuracy among 15 views was 91.7 percent versus 70.2 to 83.5 percent for board-certified echocardiographers. Confusional matrices, occlusion experiments, and saliency mapping showed that the model finds recognizable similarities among related views and classifies using clinically relevant image features. In conclusion, deep neural networks can classify essential echocardiographic views simultaneously and with high accuracy. Our results provide a foundation for more complex deep learning assisted echocardiographic interpretation.

cs.CV