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1. A Three Sample Hypothesis Test for Evaluating Generative Models

   Meehan, C ; Chaudhuri, K ; Dasgupta, S ( January 2020 , Journal of machine learning research)

   Detecting overfitting in generative models is an important challenge in machine learning. In this work, we formalize a form of overfitting that we call data-copying – where the gener- ative model memorizes and outputs training samples or small variations thereof. We pro- vide a three sample test for detecting data- copying that uses the training set, a separate sample from the target distribution, and a generated sample from the model, and study the performance of our test on several canon- ical models and datasets. 

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2. An empirical study on evaluation metrics of generative adversarial networks

   Xu, Q ; Huang, G ; Yan, Y ; Guo, C ; Sun, Y ; Wu, F ; Weinberger, K ( April 2018 , arXiv.org)

   Evaluating generative adversarial networks (GANs) is inherently challenging. In this paper, we revisit several representative sample-based evaluation metrics for GANs, and address the problem of how to evaluate the evaluation metrics. We start with a few necessary conditions for metrics to produce meaningful scores, such as distinguishing real from generated samples, identifying mode dropping and mode collapsing, and detecting overfitting. With a series of carefully designed experiments, we comprehensively investigate existing sample-based metrics and identify their strengths and limitations in practical settings. Based on these results, we observe that kernel Maximum Mean Discrepancy (MMD) and the 1-Nearest- Neighbor (1-NN) two-sample test seem to satisfy most of the desirable properties, provided that the distances between samples are computed in a suitable feature space. Our experiments also unveil interesting properties about the behavior of several popular GAN models, such as whether they are memorizing training samples, and how far they are from learning the target distribution. 

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3. Data-Copying in Generative Models: A Formal Framework

   Bhattacharjee, Robi ; Dasgupta, Sanjoy ; Chaudhuri, Kamalika ( July 2023 , Proceedings of Machine Learning Research)

   There has been some recent interest in detecting and addressing memorization of training data by deep neural networks. A formal framework for memorization in generative models, called “data-copying” was proposed by Meehan et. al (2020). We build upon their work to show that their framework may fail to detect certain kinds of blatant memorization. Motivated by this and the theory of non-parametric methods, we provide an alternative definition of data-copying that applies more locally. We provide a method to detect data-copying, and provably show that it works with high probability when enough data is available. We also provide lower bounds that characterize the sample requirement for reliable detection. 

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4. Enabling hyperparameter optimization in sequential autoencoders for spiking neural data

   Keshtkaran, MR ; Pandarinath, C ( January 2019 , Advances in Neural Information Processing Systems)

   Continuing advances in neural interfaces have enabled simultaneous monitoring of spiking activity from hundreds to thousands of neurons. To interpret these large-scale data, several methods have been proposed to infer latent dynamic structure from high-dimensional datasets. One recent line of work uses recurrent neural networks in a sequential autoencoder (SAE) framework to uncover dynamics. SAEs are an appealing option for modeling nonlinear dynamical systems, and enable a precise link between neural activity and behavior on a single-trial basis. However, the very large parameter count and complexity of SAEs relative to other models has caused concern that SAEs may only perform well on very large training sets. We hypothesized that with a method to systematically optimize hyperparameters (HPs), SAEs might perform well even in cases of limited training data. Such a breakthrough would greatly extend their applicability. However, we find that SAEs applied to spiking neural data are prone to a particular form of overfitting that cannot be detected using standard validation metrics, which prevents standard HP searches. We develop and test two potential solutions: an alternate validation method (“sample validation”) and a novel regularization method (“coordinated dropout”). These innovations prevent overfitting quite effectively, and allow us to test whether SAEs can achieve good performance on limited data through large-scale HP optimization. When applied to data from motor cortex recorded while monkeys made reaches in various directions, large-scale HP optimization allowed SAEs to better maintain performance for small dataset sizes. Our results should greatly extend the applicability of SAEs in extracting latent dynamics from sparse, multidimensional data, such as neural population spiking activity. 

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5. Evaluating and improving the reliability of gas-phase sensor system calibrations across new locations for ambient measurements and personal exposure monitoring

   https://doi.org/10.5194/amt-12-4211-2019  

   Vikram, Sharad ; Collier-Oxandale, Ashley ; Ostertag, Michael H. ; Menarini, Massimiliano ; Chermak, Camron ; Dasgupta, Sanjoy ; Rosing, Tajana ; Hannigan, Michael ; Griswold, William G. ( January 2019 , Atmospheric Measurement Techniques)

   Abstract. Advances in ambient environmental monitoring technologies are enabling concerned communities and citizens to collect data to better understand their local environment and potential exposures. These mobile, low-cost tools make it possible to collect data with increased temporal and spatial resolution, providing data on a large scale with unprecedented levels of detail. This type of data has the potential to empower people to make personal decisions about their exposure and support the development of local strategies for reducing pollution and improving health outcomes. However, calibration of these low-cost instruments has been a challenge. Often, a sensor package is calibrated via field calibration. This involves colocating the sensor package with a high-quality reference instrument for an extended period and then applying machine learning or other model fitting technique such as multiple linear regression to develop a calibration model for converting raw sensor signals to pollutant concentrations. Although this method helps to correct for the effects of ambient conditions (e.g., temperature) and cross sensitivities with nontarget pollutants, there is a growing body of evidence that calibration models can overfit to a given location or set of environmental conditions on account of the incidental correlation between pollutant levels and environmental conditions, including diurnal cycles. As a result, a sensor package trained at a field site may provide less reliable data when moved, or transferred, to a different location. This is a potential concern for applications seeking to perform monitoring away from regulatory monitoring sites, such as personal mobile monitoring or high-resolution monitoring of a neighborhood. We performed experiments confirming that transferability is indeed a problem and show that it can be improved by collecting data from multiple regulatory sites and building a calibration model that leverages data from a more diverse data set. We deployed three sensor packages to each of three sites with reference monitors (nine packages total) and then rotated the sensor packages through the sites over time. Two sites were in San Diego, CA, with a third outside of Bakersfield, CA, offering varying environmental conditions, general air quality composition, and pollutant concentrations. When compared to prior single-site calibration, the multisite approach exhibits better model transferability for a range of modeling approaches. Our experiments also reveal that random forest is especially prone to overfitting and confirm prior results that transfer is a significant source of both bias and standard error. Linear regression, on the other hand, although it exhibits relatively high error, does not degrade much in transfer. Bias dominated in our experiments, suggesting that transferability might be easily increased by detecting and correcting for bias. Also, given that many monitoring applications involve the deployment of many sensor packages based on the same sensing technology, there is an opportunity to leverage the availability of multiple sensors at multiple sites during calibration to lower the cost of training and better tolerate transfer. We contribute a new neural network architecture model termed split-NN that splits the model into two stages, in which the first stage corrects for sensor-to-sensor variation and the second stage uses the combined data of all the sensors to build a model for a single sensor package. The split-NN modeling approach outperforms multiple linear regression, traditional two- and four-layer neural networks, and random forest models. Depending on the training configuration, compared to random forest the split-NN method reduced error 0 %–11 % for NO2 and 6 %–13 % for O3. 

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