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Holography relates gravitational theories in five dimensions to four-dimensional quantum field theories in flat space. Under this map, the equation of state of the field theory is encoded in the black hole solutions of the gravitational theory. Solving the five-dimensional Einstein's equations to determine the equation of state is an algorithmic, direct problem. Determining the gravitational theory that gives rise to a prescribed equation of state is a much more challenging, inverse problem. We present a novel approach to solve this problem based on physics-informed neural networks. The resulting algorithm is not only data-driven but also informed by the physics of the Einstein's equations. We successfully apply it to theories with crossovers, first- and second-order phase transitions.

In this paper, we introduce a novel data augmentation methodology based on Conditional Progressive Generative Adversarial Networks (CPGAN) to generate diverse black hole (BH) images, accounting for variations in spin and electron temperature prescriptions. These generated images are valuable resources for training deep learning algorithms to accurately estimate black hole parameters from observational data. Our model can generate BH images for any spin value within the range of [-1, 1], given an electron temperature distribution. To validate the effectiveness of our approach, we employ a convolutional neural network to predict the BH spin using both the GRMHD images and the images generated by our proposed model. Our results demonstrate a significant performance improvement when training is conducted with the augmented dataset while testing is performed using GRMHD simulated data, as indicated by the high R2 score. Consequently, we propose that GANs can be employed as cost effective models for black hole image generation and reliably augment training datasets for other parameterization algorithms., Comment: 11 pages, 7 figures. Accepted by Monthly Notices of the Royal Astronomical Society Journal

In the last few years, there has been significant progress in the development of machine learning methods tailored to astrophysics and cosmology. We have recently applied one of these, namely, the neural network bundle method, to the cosmological scenario. Moreover, we showed that in some cases the computational times of the Bayesian inference process can be reduced. In this paper, we present an improvement to the neural network bundle method that results in a significant reduction of the computational times of the statistical analysis. The novel aspect consists of the use of the neural network bundle method to calculate the luminosity distance of type Ia supernovae, which is usually computed through an integral with numerical methods. In this work, we have applied this improvement to the Hu-Sawicki and Starobinsky $f(R)$ models. We also performed a statistical analysis with data from type Ia supernovae of the Pantheon+ compilation and cosmic chronometers. Another original aspect of this work is the different treatment we provide for the absolute magnitude of type Ia supernovae during the inference process, which results in different estimates of the distortion parameter than the ones obtained in the literature. We show that the statistical analyses carried out with our new method require lower computational times than the ones performed with both the numerical and the neural network method from our previous work. This reduction in time is more significant in the case of a difficult computational problem such as the ones addressed in this work., Comment: 14 pages, 5 figures, 3 tables

We conducted empirical experiments to assess the transferability of a light curve transformer to datasets with different cadences and magnitude distributions using various positional encodings (PEs). We proposed a new approach to incorporate the temporal information directly to the output of the last attention layer. Our results indicated that using trainable PEs lead to significant improvements in the transformer performances and training times. Our proposed PE on attention can be trained faster than the traditional non-trainable PE transformer while achieving competitive results when transfered to other datasets., Comment: In Proceedings of the 40th International Conference on Machine Learning (ICML), Workshop on Machine Learning for Astrophysics, PMLR 202, 2023, Honolulu, Hawaii, USA

Neural networks are universal approximators and are studied for their use in solving differential equations. However, a major criticism is the lack of error bounds for obtained solutions. This paper proposes a technique to rigorously evaluate the error bound of Physics-Informed Neural Networks (PINNs) on most linear ordinary differential equations (ODEs), certain nonlinear ODEs, and first-order linear partial differential equations (PDEs). The error bound is based purely on equation structure and residual information and does not depend on assumptions of how well the networks are trained. We propose algorithms that bound the error efficiently. Some proposed algorithms provide tighter bounds than others at the cost of longer run time., Comment: 10 page main artichle + 5 page supplementary material

Physics-Informed Neural Networks (PINNs) are gaining popularity as a method for solving differential equations. While being more feasible in some contexts than the classical numerical techniques, PINNs still lack credibility. A remedy for that can be found in Uncertainty Quantification (UQ) which is just beginning to emerge in the context of PINNs. Assessing how well the trained PINN complies with imposed differential equation is the key to tackling uncertainty, yet there is lack of comprehensive methodology for this task. We propose a framework for UQ in Bayesian PINNs (B-PINNs) that incorporates the discrepancy between the B-PINN solution and the unknown true solution. We exploit recent results on error bounds for PINNs on linear dynamical systems and demonstrate the predictive uncertainty on a class of linear ODEs.

The NASA Astrophysics Data System (ADS) is an essential tool for researchers that allows them to explore the astronomy and astrophysics scientific literature, but it has yet to exploit recent advances in natural language processing. At ADASS 2021, we introduced astroBERT, a machine learning language model tailored to the text used in astronomy papers in ADS. In this work we: - announce the first public release of the astroBERT language model; - show how astroBERT improves over existing public language models on astrophysics specific tasks; - and detail how ADS plans to harness the unique structure of scientific papers, the citation graph and citation context, to further improve astroBERT.

Physics-Informed Neural Networks (PINNs) offer a promising approach to solving differential equations and, more generally, to applying deep learning to problems in the physical sciences. We adopt a recently developed transfer learning approach for PINNs and introduce a multi-head model to efficiently obtain accurate solutions to nonlinear systems of ordinary differential equations with random potentials. In particular, we apply the method to simulate stochastic branched flows, a universal phenomenon in random wave dynamics. Finally, we compare the results achieved by feed forward and GAN-based PINNs on two physically relevant transfer learning tasks and show that our methods provide significant computational speedups in comparison to standard PINNs trained from scratch., Comment: 5 pages, 3 figures

Solutions to differential equations are of significant scientific and engineering relevance. Physics-Informed Neural Networks (PINNs) have emerged as a promising method for solving differential equations, but they lack a theoretical justification for the use of any particular loss function. This work presents Differential Equation GAN (DEQGAN), a novel method for solving differential equations using generative adversarial networks to "learn the loss function" for optimizing the neural network. Presenting results on a suite of twelve ordinary and partial differential equations, including the nonlinear Burgers', Allen-Cahn, Hamilton, and modified Einstein's gravity equations, we show that DEQGAN can obtain multiple orders of magnitude lower mean squared errors than PINNs that use $L_2$, $L_1$, and Huber loss functions. We also show that DEQGAN achieves solution accuracies that are competitive with popular numerical methods. Finally, we present two methods to improve the robustness of DEQGAN to different hyperparameter settings., Comment: arXiv admin note: text overlap with arXiv:2007.11133

Reservoir computers (RCs) are among the fastest to train of all neural networks, especially when they are compared to other recurrent neural networks. RC has this advantage while still handling sequential data exceptionally well. However, RC adoption has lagged other neural network models because of the model's sensitivity to its hyper-parameters (HPs). A modern unified software package that automatically tunes these parameters is missing from the literature. Manually tuning these numbers is very difficult, and the cost of traditional grid search methods grows exponentially with the number of HPs considered, discouraging the use of the RC and limiting the complexity of the RC models which can be devised. We address these problems by introducing RcTorch, a PyTorch based RC neural network package with automated HP tuning. Herein, we demonstrate the utility of RcTorch by using it to predict the complex dynamics of a driven pendulum being acted upon by varying forces. This work includes coding examples. Example Python Jupyter notebooks can be found on our GitHub repository https://github.com/blindedjoy/RcTorch and documentation can be found at https://rctorch.readthedocs.io/., Comment: 18 pages, 12 figures, and 43 citations. GitHub repository and documentation information included and linked

There have been extensive studies on solving differential equations using physics-informed neural networks. While this method has proven advantageous in many cases, a major criticism lies in its lack of analytical error bounds. Therefore, it is less credible than its traditional counterparts, such as the finite difference method. This paper shows that one can mathematically derive explicit error bounds for physics-informed neural networks trained on a class of linear systems of differential equations. More importantly, evaluating such error bounds only requires evaluating the differential equation residual infinity norm over the domain of interest. Our work shows a link between network residuals, which is known and used as loss function, and the absolute error of solution, which is generally unknown. Our approach is semi-phenomonological and independent of knowledge of the actual solution or the complexity or architecture of the network. Using the method of manufactured solution on linear ODEs and system of linear ODEs, we empirically verify the error evaluation algorithm and demonstrate that the actual error strictly lies within our derived bound., Comment: 12 pages + 4 appendices

Due to the latest advances in technology, telescopes with significant sky coverage will produce millions of astronomical alerts per night that must be classified both rapidly and automatically. Currently, classification consists of supervised machine learning algorithms whose performance is limited by the number of existing annotations of astronomical objects and their highly imbalanced class distributions. In this work, we propose a data augmentation methodology based on Generative Adversarial Networks (GANs) to generate a variety of synthetic light curves from variable stars. Our novel contributions, consisting of a resampling technique and an evaluation metric, can assess the quality of generative models in unbalanced datasets and identify GAN-overfitting cases that the Fr\'echet Inception Distance does not reveal. We applied our proposed model to two datasets taken from the Catalina and Zwicky Transient Facility surveys. The classification accuracy of variable stars is improved significantly when training with synthetic data and testing with real data with respect to the case of using only real data., Comment: Accepted to ApJ on May 11, 2022

The field of machine learning has drawn increasing interest from various other fields due to the success of its methods at solving a plethora of different problems. An application of these has been to train artificial neural networks to solve differential equations without the need of a numerical solver. This particular application offers an alternative to conventional numerical methods, with advantages such as lower memory required to store solutions, parallelization, and, in some cases, a lower overall computational cost than its numerical counterparts. In this work, we train artificial neural networks to represent a bundle of solutions of the differential equations that govern the background dynamics of the Universe for four different models. The models we have chosen are $\Lambda \mathrm{CDM}$, the Chevallier-Polarski-Linder parametric dark energy model, a quintessence model with an exponential potential, and the Hu-Sawicki $f(R)$ model. We use the solutions that the networks provide to perform statistical analyses to estimate the values of each model's parameters with observational data; namely, estimates of the Hubble parameter from cosmic chronometers, type Ia supernovae data from the Pantheon compilation, and measurements from baryon acoustic oscillations. The results we obtain for all models match similar estimations done in the literature using numerical solvers. In addition, we estimate the error of the solutions that the trained networks provide by comparing them with the analytical solution when there is one, or to a high-precision numerical solution when there is not. Through these estimations we find that the error of the solutions is at most $\sim1\%$ in the region of the parameter space that concerns the $95\%$ confidence regions that we find using the data, for all models and all statistical analyses performed in this work., Comment: 28 pages, 10 figures, 10 tables, supplemental material available at https://github.com/at-chantada/Supplemental-Materials

In this work, we present Con$^{2}$DA, a simple framework that extends recent advances in semi-supervised learning to the semi-supervised domain adaptation (SSDA) problem. Our framework generates pairs of associated samples by performing stochastic data transformations to a given input. Associated data pairs are mapped to a feature representation space using a feature extractor. We use different loss functions to enforce consistency between the feature representations of associated data pairs of samples. We show that these learned representations are useful to deal with differences in data distributions in the domain adaptation problem. We performed experiments to study the main components of our model and we show that (i) learning of the consistent and contrastive feature representations is crucial to extract good discriminative features across different domains, and ii) our model benefits from the use of strong augmentation policies. With these findings, our method achieves state-of-the-art performances in three benchmark datasets for SSDA., Comment: Accepted to NeurIPS 2021 Workshop on Distribution Shifts: Connecting Methods and Applications

Eigenvalue problems are critical to several fields of science and engineering. We expand on the method of using unsupervised neural networks for discovering eigenfunctions and eigenvalues for differential eigenvalue problems. The obtained solutions are given in an analytical and differentiable form that identically satisfies the desired boundary conditions. The network optimization is data-free and depends solely on the predictions of the neural network. We introduce two physics-informed loss functions. The first, called ortho-loss, motivates the network to discover pair-wise orthogonal eigenfunctions. The second loss term, called norm-loss, requests the discovery of normalized eigenfunctions and is used to avoid trivial solutions. We find that embedding even or odd symmetries to the neural network architecture further improves the convergence for relevant problems. Lastly, a patience condition can be used to automatically recognize eigenfunction solutions. This proposed unsupervised learning method is used to solve the finite well, multiple finite wells, and hydrogen atom eigenvalue quantum problems.

The existing search tools for exploring the NASA Astrophysics Data System (ADS) can be quite rich and empowering (e.g., similar and trending operators), but researchers are not yet allowed to fully leverage semantic search. For example, a query for "results from the Planck mission" should be able to distinguish between all the various meanings of Planck (person, mission, constant, institutions and more) without further clarification from the user. At ADS, we are applying modern machine learning and natural language processing techniques to our dataset of recent astronomy publications to train astroBERT, a deeply contextual language model based on research at Google. Using astroBERT, we aim to enrich the ADS dataset and improve its discoverability, and in particular we are developing our own named entity recognition tool. We present here our preliminary results and lessons learned.

Neural network-based methods for solving differential equations have been gaining traction. They work by improving the differential equation residuals of a neural network on a sample of points in each iteration. However, most of them employ standard sampling schemes like uniform or perturbing equally spaced points. We present a novel sampling scheme which samples points adversarially to maximize the loss of the current solution estimate. A sampler architecture is described along with the loss terms used for training. Finally, we demonstrate that this scheme outperforms pre-existing schemes by comparing both on a number of problems.

Uncertainty quantification (UQ) helps to make trustworthy predictions based on collected observations and uncertain domain knowledge. With increased usage of deep learning in various applications, the need for efficient UQ methods that can make deep models more reliable has increased as well. Among applications that can benefit from effective handling of uncertainty are the deep learning based differential equation (DE) solvers. We adapt several state-of-the-art UQ methods to get the predictive uncertainty for DE solutions and show the results on four different DE types.

The Reynolds-averaged Navier-Stokes (RANS) equations require accurate modeling of the anisotropic Reynolds stress tensor. Traditional closure models, while sophisticated, often only apply to restricted flow configurations. Researchers have started using machine learning approaches to tackle this problem by developing more general closure models informed by data. In this work we build upon recent convolutional neural network architectures used for turbulence modeling and propose a multi-task learning-based fully convolutional neural network that is able to accurately predict the normalized anisotropic Reynolds stress tensor for turbulent duct flows. Furthermore, we also explore the application of curriculum learning to data-driven turbulence modeling.

Solving differential equations efficiently and accurately sits at the heart of progress in many areas of scientific research, from classical dynamical systems to quantum mechanics. There is a surge of interest in using Physics-Informed Neural Networks (PINNs) to tackle such problems as they provide numerous benefits over traditional numerical approaches. Despite their potential benefits for solving differential equations, transfer learning has been under explored. In this study, we present a general framework for transfer learning PINNs that results in one-shot inference for linear systems of both ordinary and partial differential equations. This means that highly accurate solutions to many unknown differential equations can be obtained instantaneously without retraining an entire network. We demonstrate the efficacy of the proposed deep learning approach by solving several real-world problems, such as first- and second-order linear ordinary equations, the Poisson equation, and the time-dependent Schrodinger complex-value partial differential equation., Comment: ICML AI4Science Workshop 2022

There is a wave of interest in using unsupervised neural networks for solving differential equations. The existing methods are based on feed-forward networks, {while} recurrent neural network differential equation solvers have not yet been reported. We introduce an unsupervised reservoir computing (RC), an echo-state recurrent neural network capable of discovering approximate solutions that satisfy ordinary differential equations (ODEs). We suggest an approach to calculate time derivatives of recurrent neural network outputs without using backpropagation. The internal weights of an RC are fixed, while only a linear output layer is trained, yielding efficient training. However, RC performance strongly depends on finding the optimal hyper-parameters, which is a computationally expensive process. We use Bayesian optimization to efficiently discover optimal sets in a high-dimensional hyper-parameter space and numerically show that one set is robust and can be used to solve an ODE for different initial conditions and time ranges. A closed-form formula for the optimal output weights is derived to solve first order linear equations in a backpropagation-free learning process. We extend the RC approach by solving nonlinear system of ODEs using a hybrid optimization method consisting of gradient descent and Bayesian optimization. Evaluation of linear and nonlinear systems of equations demonstrates the efficiency of the RC ODE solver.

Accurately learning the temporal behavior of dynamical systems requires models with well-chosen learning biases. Recent innovations embed the Hamiltonian and Lagrangian formalisms into neural networks and demonstrate a significant improvement over other approaches in predicting trajectories of physical systems. These methods generally tackle autonomous systems that depend implicitly on time or systems for which a control signal is known apriori. Despite this success, many real world dynamical systems are non-autonomous, driven by time-dependent forces and experience energy dissipation. In this study, we address the challenge of learning from such non-autonomous systems by embedding the port-Hamiltonian formalism into neural networks, a versatile framework that can capture energy dissipation and time-dependent control forces. We show that the proposed \emph{port-Hamiltonian neural network} can efficiently learn the dynamics of nonlinear physical systems of practical interest and accurately recover the underlying stationary Hamiltonian, time-dependent force, and dissipative coefficient. A promising outcome of our network is its ability to learn and predict chaotic systems such as the Duffing equation, for which the trajectories are typically hard to learn., Comment: [under review]

The Reynolds-averaged Navier-Stokes (RANS) equations are widely used in turbulence applications. They require accurately modeling the anisotropic Reynolds stress tensor, for which traditional Reynolds stress closure models only yield reliable results in some flow configurations. In the last few years, there has been a surge of work aiming at using data-driven approaches to tackle this problem. The majority of previous work has focused on the development of fully-connected networks for modeling the anisotropic Reynolds stress tensor. In this paper, we expand upon recent work for turbulent channel flow and develop new convolutional neural network (CNN) models that are able to accurately predict the normalized anisotropic Reynolds stress tensor. We apply the new CNN model to a number of one-dimensional turbulent flows. Additionally, we present interpretability techniques that help drive the model design and provide guidance on the model behavior in relation to the underlying physics.

Characterizing the fundamental parameters of stars from observations is crucial for studying the stars themselves, their planets, and the galaxy as a whole. Stellar evolution theory predicting the properties of stars as a function of stellar age and mass enables translating observables into physical stellar parameters by fitting the observed data to synthetic isochrones. However, the complexity of overlapping evolutionary tracks often makes this task numerically challenging, and with a precision that can be highly variable, depending on the area of the parameter space the observation lies in. This work presents StelNet, a Deep Neural Network trained on stellar evolutionary tracks that quickly and accurately predicts mass and age from absolute luminosity and effective temperature for stars with close to solar metallicity. The underlying model makes no assumption on the evolutionary stage and includes the pre-main sequence phase. We use bootstrapping and train many models to quantify the uncertainty of the model. To break the model's intrinsic degeneracy resulting from overlapping evolutionary paths, we also built a hierarchical model that retrieves realistic posterior probability distributions of the stellar mass and age. We further test and train StelNet using a sample of stars with well-determined masses and ages from the literature., Comment: 17 pages, 15 figures, accepted to AJ

In certain situations, neural networks are trained upon data that obey underlying symmetries. However, the predictions do not respect the symmetries exactly unless embedded in the network structure. In this work, we introduce architectures that embed a special kind of symmetry namely, invariance with respect to involutory linear/affine transformations up to parity $p=\pm 1$. We provide rigorous theorems to show that the proposed network ensures such an invariance and present qualitative arguments for a special universal approximation theorem. An adaption of our techniques to CNN tasks for datasets with inherent horizontal/vertical reflection symmetry is demonstrated. Extensive experiments indicate that the proposed model outperforms baseline feed-forward and physics-informed neural networks while identically respecting the underlying symmetry., Comment: Accepted in IJCNN 2022

The activation function plays a fundamental role in the artificial neural network learning process. However, there is no obvious choice or procedure to determine the best activation function, which depends on the problem. This study proposes a new artificial neuron, named global-local neuron, with a trainable activation function composed of two components, a global and a local. The global component term used here is relative to a mathematical function to describe a general feature present in all problem domain. The local component is a function that can represent a localized behavior, like a transient or a perturbation. This new neuron can define the importance of each activation function component in the learning phase. Depending on the problem, it results in a purely global, or purely local, or a mixed global and local activation function after the training phase. Here, the trigonometric sine function was employed for the global component and the hyperbolic tangent for the local component. The proposed neuron was tested for problems where the target was a purely global function, or purely local function, or a composition of two global and local functions. Two classes of test problems were investigated, regression problems and differential equations solving. The experimental tests demonstrated the Global-Local Neuron network's superior performance, compared with simple neural networks with sine or hyperbolic tangent activation function, and with a hybrid network that combines these two simple neural networks.

Machine learning models have emerged as powerful tools in physics and engineering. Although flexible, a fundamental challenge remains on how to connect new machine learning models with known physics. In this work, we present an autoencoder with latent space penalization, which discovers finite dimensional manifolds underlying the partial differential equations of physics. We test this method on the Kuramoto-Sivashinsky (K-S), Korteweg-de Vries (KdV), and damped KdV equations. We show that the resulting optimal latent space of the K-S equation is consistent with the dimension of the inertial manifold. The results for the KdV equation imply that there is no reduced latent space, which is consistent with the truly infinite dimensional dynamics of the KdV equation. In the case of the damped KdV equation, we find that the number of active dimensions decreases with increasing damping coefficient. We then uncover a nonlinear basis representing the manifold of the latent space for the K-S equation., Comment: 9 pages, 9 figures, two tables

Studying the dynamics of COVID-19 is of paramount importance to understanding the efficiency of restrictive measures and develop strategies to defend against upcoming contagion waves. In this work, we study the spread of COVID-19 using a semi-supervised neural network and assuming a passive part of the population remains isolated from the virus dynamics. We start with an unsupervised neural network that learns solutions of differential equations for different modeling parameters and initial conditions. A supervised method then solves the inverse problem by estimating the optimal conditions that generate functions to fit the data for those infected by, recovered from, and deceased due to COVID-19. This semi-supervised approach incorporates real data to determine the evolution of the spread, the passive population, and the basic reproduction number for different countries., Comment: 5 pages, 3 figures

Eigenvalue problems are critical to several fields of science and engineering. We present a novel unsupervised neural network for discovering eigenfunctions and eigenvalues for differential eigenvalue problems with solutions that identically satisfy the boundary conditions. A scanning mechanism is embedded allowing the method to find an arbitrary number of solutions. The network optimization is data-free and depends solely on the predictions. The unsupervised method is used to solve the quantum infinite well and quantum oscillator eigenvalue problems., Comment: 5 pages, 3 figures

Clustering is a fundamental task in unsupervised learning that depends heavily on the data representation that is used. Deep generative models have appeared as a promising tool to learn informative low-dimensional data representations. We propose Matching Priors and Conditionals for Clustering (MPCC), a GAN-based model with an encoder to infer latent variables and cluster categories from data, and a flexible decoder to generate samples from a conditional latent space. With MPCC we demonstrate that a deep generative model can be competitive/superior against discriminative methods in clustering tasks surpassing the state of the art over a diverse set of benchmark datasets. Our experiments show that adding a learnable prior and augmenting the number of encoder updates improve the quality of the generated samples, obtaining an inception score of 9.49 $\pm$ 0.15 and improving the Fr\'echet inception distance over the state of the art by a 46.9% in CIFAR10., Comment: ECCV 2020

Solutions to differential equations are of significant scientific and engineering relevance. Recently, there has been a growing interest in solving differential equations with neural networks. This work develops a novel method for solving differential equations with unsupervised neural networks that applies Generative Adversarial Networks (GANs) to \emph{learn the loss function} for optimizing the neural network. We present empirical results showing that our method, which we call Differential Equation GAN (DEQGAN), can obtain multiple orders of magnitude lower mean squared errors than an alternative unsupervised neural network method based on (squared) $L_2$, $L_1$, and Huber loss functions. Moreover, we show that DEQGAN achieves solution accuracy that is competitive with traditional numerical methods. Finally, we analyze the stability of our approach and find it to be sensitive to the selection of hyperparameters, which we provide in the appendix. Code available at https://github.com/dylanrandle/denn. Please address any electronic correspondence to dylanrandle@alumni.harvard.edu.

Gender classification algorithms have important applications in many domains today such as demographic research, law enforcement, as well as human-computer interaction. Recent research showed that algorithms trained on biased benchmark databases could result in algorithmic bias. However, to date, little research has been carried out on gender classification algorithms' bias towards gender minorities subgroups, such as the LGBTQ and the non-binary population, who have distinct characteristics in gender expression. In this paper, we began by conducting surveys on existing benchmark databases for facial recognition and gender classification tasks. We discovered that the current benchmark databases lack representation of gender minority subgroups. We worked on extending the current binary gender classifier to include a non-binary gender class. We did that by assembling two new facial image databases: 1) a racially balanced inclusive database with a subset of LGBTQ population 2) an inclusive-gender database that consists of people with non-binary gender. We worked to increase classification accuracy and mitigate algorithmic biases on our baseline model trained on the augmented benchmark database. Our ensemble model has achieved an overall accuracy score of 90.39%, which is a 38.72% increase from the baseline binary gender classifier trained on Adience. While this is an initial attempt towards mitigating bias in gender classification, more work is needed in modeling gender as a continuum by assembling more inclusive databases., Comment: 9 pages

The time evolution of dynamical systems is frequently described by ordinary differential equations (ODEs), which must be solved for given initial conditions. Most standard approaches numerically integrate ODEs producing a single solution whose values are computed at discrete times. When many varied solutions with different initial conditions to the ODE are required, the computational cost can become significant. We propose that a neural network be used as a solution bundle, a collection of solutions to an ODE for various initial states and system parameters. The neural network solution bundle is trained with an unsupervised loss that does not require any prior knowledge of the sought solutions, and the resulting object is differentiable in initial conditions and system parameters. The solution bundle exhibits fast, parallelizable evaluation of the system state, facilitating the use of Bayesian inference for parameter estimation in real dynamical systems., Comment: 21 pages, 12 figures, 10 tables

Alzheimer's Disease (AD) ravages the cognitive ability of more than 5 million Americans and creates an enormous strain on the health care system. This paper proposes a machine learning predictive model for AD development without medical imaging and with fewer clinical visits and tests, in hopes of earlier and cheaper diagnoses. That earlier diagnoses could be critical in the effectiveness of any drug or medical treatment to cure this disease. Our model is trained and validated using demographic, biomarker and cognitive test data from two prominent research studies: Alzheimer's Disease Neuroimaging Initiative (ADNI) and Australian Imaging, Biomarker Lifestyle Flagship Study of Aging (AIBL). We systematically explore different machine learning models, pre-processing methods and feature selection techniques. The most performant model demonstrates greater than 90% accuracy and recall in predicting AD, and the results generalize across sub-studies of ADNI and to the independent AIBL study. We also demonstrate that these results are robust to reducing the number of clinical visits or tests per visit. Using a metaclassification algorithm and longitudinal data analysis we are able to produce a "lean" diagnostic protocol with only 3 tests and 4 clinical visits that can predict Alzheimer's development with 87% accuracy and 79% recall. This novel work can be adapted into a practical early diagnostic tool for predicting the development of Alzheimer's that maximizes accuracy while minimizing the number of necessary diagnostic tests and clinical visits.

Laser Interferometer Gravitational-Wave Observatory (LIGO) was the first laboratory to measure the gravitational waves. It was needed an exceptional experimental design to measure distance changes much less than a radius of a proton. In the same way, the data analyses to confirm and extract information is a tremendously hard task. Here, it is shown a computational procedure base on artificial neural networks to detect a gravitation wave event and extract the knowledge of its ring-down time from the LIGO data. With this proposal, it is possible to make a probabilistic thermometer for gravitational wave detection and obtain physical information about the astronomical body system that created the phenomenon. Here, the ring-down time is determined with a direct data measure, without the need to use numerical relativity techniques and high computational power.

During the last decade, considerable effort has been made to perform automatic classification of variable stars using machine learning techniques. Traditionally, light curves are represented as a vector of descriptors or features used as input for many algorithms. Some features are computationally expensive, cannot be updated quickly and hence for large datasets such as the LSST cannot be applied. Previous work has been done to develop alternative unsupervised feature extraction algorithms for light curves, but the cost of doing so still remains high. In this work, we propose an end-to-end algorithm that automatically learns the representation of light curves that allows an accurate automatic classification. We study a series of deep learning architectures based on Recurrent Neural Networks and test them in automated classification scenarios. Our method uses minimal data preprocessing, can be updated with a low computational cost for new observations and light curves, and can scale up to massive datasets. We transform each light curve into an input matrix representation whose elements are the differences in time and magnitude, and the outputs are classification probabilities. We test our method in three surveys: OGLE-III, Gaia and WISE. We obtain accuracies of about $95\%$ in the main classes and $75\%$ in the majority of subclasses. We compare our results with the Random Forest classifier and obtain competitive accuracies while being faster and scalable. The analysis shows that the computational complexity of our approach grows up linearly with the light curve size, while the traditional approach cost grows as $N\log{(N)}$., Comment: 15 pages, 17 figures. To be published in MNRAS

There has been a wave of interest in applying machine learning to study dynamical systems. We present a Hamiltonian neural network that solves the differential equations that govern dynamical systems. This is an equation-driven machine learning method where the optimization process of the network depends solely on the predicted functions without using any ground truth data. The model learns solutions that satisfy, up to an arbitrarily small error, Hamilton's equations and, therefore, conserve the Hamiltonian invariants. The choice of an appropriate activation function drastically improves the predictability of the network. Moreover, an error analysis is derived and states that the numerical errors depend on the overall network performance. The Hamiltonian network is then employed to solve the equations for the nonlinear oscillator and the chaotic Henon-Heiles dynamical system. In both systems, a symplectic Euler integrator requires two orders more evaluation points than the Hamiltonian network in order to achieve the same order of the numerical error in the predicted phase space trajectories.

In the last years, automatic classification of variable stars has received substantial attention. Using machine learning techniques for this task has proven to be quite useful. Typically, machine learning classifiers used for this task require to have a fixed training set, and the training process is performed offline. Upcoming surveys such as the Large Synoptic Survey Telescope (LSST) will generate new observations daily, where an automatic classification system able to create alerts online will be mandatory. A system with those characteristics must be able to update itself incrementally. Unfortunately, after training, most machine learning classifiers do not support the inclusion of new observations in light curves, they need to re-train from scratch. Naively re-training from scratch is not an option in streaming settings, mainly because of the expensive pre-processing routines required to obtain a vector representation of light curves (features) each time we include new observations. In this work, we propose a streaming probabilistic classification model; it uses a set of newly designed features that work incrementally. With this model, we can have a machine learning classifier that updates itself in real time with new observations. To test our approach, we simulate a streaming scenario with light curves from CoRot, OGLE and MACHO catalogs. Results show that our model achieves high classification performance, staying an order of magnitude faster than traditional classification approaches.

Classification and characterization of variable phenomena and transient phenomena are critical for astrophysics and cosmology. These objects are commonly studied using photometric time series or spectroscopic data. Given that many ongoing and future surveys are in time-domain and given that adding spectra provide further insights but requires more observational resources, it would be valuable to know which objects should we prioritize to have spectrum in addition to time series. We propose a methodology in a probabilistic setting that determines a-priory which objects are worth taking spectrum to obtain better insights, where we focus 'insight' as the type of the object (classification). Objects for which we query its spectrum are reclassified using their full spectrum information. We first train two classifiers, one that uses photometric data and another that uses photometric and spectroscopic data together. Then for each photometric object we estimate the probability of each possible spectrum outcome. We combine these models in various probabilistic frameworks (strategies) which are used to guide the selection of follow up observations. The best strategy depends on the intended use, whether it is getting more confidence or accuracy. For a given number of candidate objects (127, equal to 5% of the dataset) for taking spectra, we improve 37% class prediction accuracy as opposed to 20% of a non-naive (non-random) best base-line strategy. Our approach provides a general framework for follow-up strategies and can be extended beyond classification and to include other forms of follow-ups beyond spectroscopy.

In this work we address the problem of transferring knowledge obtained from a vast annotated source domain to a low labeled target domain. We propose Adversarial Variational Domain Adaptation (AVDA), a semi-supervised domain adaptation method based on deep variational embedded representations. We use approximate inference and domain adversarial methods to map samples from source and target domains into an aligned class-dependent embedding defined as a Gaussian Mixture Model. AVDA works as a classifier and considers a generative model that helps this classification. We used digits dataset for experimentation. Our results show that on a semi-supervised few-shot scenario our model outperforms previous methods in most of the adaptation tasks, even using a fewer number of labeled samples per class on target domain., Comment: 12 pages, 3 figures

Reynolds-averaged Navier-Stokes (RANS) equations are presently one of the most popular models for simulating turbulence. Performing RANS simulation requires additional modeling for the anisotropic Reynolds stress tensor, but traditional Reynolds stress closure models lead to only partially reliable predictions. Recently, data-driven turbulence models for the Reynolds anisotropy tensor involving novel machine learning techniques have garnered considerable attention and have been rapidly developed. Focusing on modeling the Reynolds stress closure for the specific case of turbulent channel flow, this paper proposes three modifications to a standard neural network to account for the no-slip boundary condition of the anisotropy tensor, the Reynolds number dependence, and spatial non-locality. The modified models are shown to provide increased predicative accuracy compared to the standard neural network when they are trained and tested on channel flow at different Reynolds numbers. The best performance is yielded by the model combining the boundary condition enforcement and Reynolds number injection. This model also outperforms the Tensor Basis Neural Network (Ling et al., 2016) on the turbulent channel flow dataset.

Image quality plays a big role in CNN-based image classification performance. Fine-tuning the network with distorted samples may be too costly for large networks. To solve this issue, we propose a transfer learning approach optimized to keep into account that in each layer of a CNN some filters are more susceptible to image distortion than others. Our method identifies the most susceptible filters and applies retraining only to the filters that show the highest activation maps distance between clean and distorted images. Filters are ranked using the Borda count election method and then only the most affected filters are fine-tuned. This significantly reduces the number of parameters to retrain. We evaluate this approach on the CIFAR-10 and CIFAR-100 datasets, testing it on two different models and two different types of distortion. Results show that the proposed transfer learning technique recovers most of the lost performance due to input data distortion, at a considerably faster pace with respect to existing methods, thanks to the reduced number of parameters to fine-tune. When few noisy samples are provided for training, our filter-level fine tuning performs particularly well, also outperforming state of the art layer-level transfer learning approaches., Comment: arXiv admin note: text overlap with arXiv:1705.02406 by other authors

Echo State Networks (ESNs) are recurrent neural networks that only train their output layer, thereby precluding the need to backpropagate gradients through time, which leads to significant computational gains. Nevertheless, a common issue in ESNs is determining its hyperparameters, which are crucial in instantiating a well performing reservoir, but are often set manually or using heuristics. In this work we optimize the ESN hyperparameters using Bayesian optimization which, given a limited budget of function evaluations, outperforms a grid search strategy. In the context of large volumes of time series data, such as light curves in the field of astronomy, we can further reduce the optimization cost of ESNs. In particular, we wish to avoid tuning hyperparameters per individual time series as this is costly; instead, we want to find ESNs with hyperparameters that perform well not just on individual time series but rather on groups of similar time series without sacrificing predictive performance significantly. This naturally leads to a notion of clusters, where each cluster is represented by an ESN tuned to model a group of time series of similar temporal behavior. We demonstrate this approach both on synthetic datasets and real world light curves from the MACHO survey. We show that our approach results in a significant reduction in the number of ESN models required to model a whole dataset, while retaining predictive performance for the series in each cluster.

Within the last years, the classification of variable stars with Machine Learning has become a mainstream area of research. Recently, visualization of time series is attracting more attention in data science as a tool to visually help scientists to recognize significant patterns in complex dynamics. Within the Machine Learning literature, dictionary-based methods have been widely used to encode relevant parts of image data. These methods intrinsically assign a degree of importance to patches in pictures, according to their contribution in the image reconstruction. Inspired by dictionary-based techniques, we present an approach that naturally provides the visualization of salient parts in astronomical light curves, making the analogy between image patches and relevant pieces in time series. Our approach encodes the most meaningful patterns such that we can approximately reconstruct light curves by just using the encoded information. We test our method in light curves from the OGLE-III and StarLight databases. Our results show that the proposed model delivers an automatic and intuitive visualization of relevant light curve parts, such as local peaks and drops in magnitude., Comment: Accepted 2019 January 8. Received 2019 January 8; in original form 2018 January 29. 7 pages, 6 figures

Crowdsourcing has become widely used in supervised scenarios where training sets are scarce and difficult to obtain. Most crowdsourcing models in the literature assume labelers can provide answers to full questions. In classification contexts, full questions require a labeler to discern among all possible classes. Unfortunately, discernment is not always easy in realistic scenarios. Labelers may not be experts in differentiating all classes. In this work, we provide a full probabilistic model for a shorter type of queries. Our shorter queries only require "yes" or "no" responses. Our model estimates a joint posterior distribution of matrices related to labelers' confusions and the posterior probability of the class of every object. We developed an approximate inference approach, using Monte Carlo Sampling and Black Box Variational Inference, which provides the derivation of the necessary gradients. We built two realistic crowdsourcing scenarios to test our model. The first scenario queries for irregular astronomical time-series. The second scenario relies on the image classification of animals. We achieved results that are comparable with those of full query crowdsourcing. Furthermore, we show that modeling labelers' failures plays an important role in estimating true classes. Finally, we provide the community with two real datasets obtained from our crowdsourcing experiments. All our code is publicly available., Comment: SIAM International Conference on Data Mining (SDM19), 9 official pages, 5 supplementary pages

In real-world applications, it is often expensive and time-consuming to obtain labeled examples. In such cases, knowledge transfer from related domains, where labels are abundant, could greatly reduce the need for extensive labeling efforts. In this scenario, transfer learning comes in hand. In this paper, we propose Deep Variational Transfer (DVT), a variational autoencoder that transfers knowledge across domains using a shared latent Gaussian mixture model. Thanks to the combination of a semi-supervised ELBO and parameters sharing across domains, we are able to simultaneously: (i) align all supervised examples of the same class into the same latent Gaussian Mixture component, independently from their domain; (ii) predict the class of unsupervised examples from different domains and use them to better model the occurring shifts. We perform tests on MNIST and USPS digits datasets, showing DVT's ability to perform transfer learning across heterogeneous datasets. Additionally, we present DVT's top classification performances on the MNIST semi-supervised learning challenge. We further validate DVT on a astronomical datasets. DVT achieves states-of-the-art classification performances, transferring knowledge across real stars surveys datasets, EROS, MACHO and HiTS, . In the worst performance, we double the achieved F1-score for rare classes. These experiments show DVT's ability to tackle all major challenges posed by transfer learning: different covariate distributions, different and highly imbalanced class distributions and different feature spaces.

Turbulence modeling is a classical approach to address the multiscale nature of fluid turbulence. Instead of resolving all scales of motion, which is currently mathematically and numerically intractable, reduced models that capture the large-scale behavior are derived. One of the most popular reduced models is the Reynolds averaged Navier-Stokes (RANS) equations. The goal is to solve the RANS equations for the mean velocity and pressure field. However, the RANS equations contain a term called the Reynolds stress tensor, which is not known in terms of the mean velocity field. Many RANS turbulence models have been proposed to model the Reynolds stress tensor in terms of the mean velocity field, but are usually not suitably general for all flow fields of interest. Data-driven turbulence models have recently garnered considerable attention and have been rapidly developed. In a seminal work, Ling et al (2016) developed the tensor basis neural network (TBNN), which was used to learn a general Galilean invariant model for the Reynolds stress tensor. The TBNN was applied to a variety of flow fields with encouraging results. In the present study, the TBNN is applied to the turbulent channel flow. Its performance is compared with classical turbulence models as well as a neural network model that does not preserve Galilean invariance. A sensitivity study on the TBNN reveals that the network attempts to adjust to the dataset, but is limited by the mathematical form that guarantees Galilean invariance.

In this paper we propose a data augmentation method for time series with irregular sampling, Time-Conditional Generative Adversarial Network (T-CGAN). Our approach is based on Conditional Generative Adversarial Networks (CGAN), where the generative step is implemented by a deconvolutional NN and the discriminative step by a convolutional NN. Both the generator and the discriminator are conditioned on the sampling timestamps, to learn the hidden relationship between data and timestamps, and consequently to generate new time series. We evaluate our model with synthetic and real-world datasets. For the synthetic data, we compare the performance of a classifier trained with T-CGAN-generated data, against the performance of the same classifier trained on the original data. Results show that classifiers trained on T-CGAN-generated data perform the same as classifiers trained on real data, even with very short time series and small training sets. For the real world datasets, we compare our method with other techniques of data augmentation for time series, such as time slicing and time warping, over a classification problem with unbalanced datasets. Results show that our method always outperforms the other approaches, both in case of regularly sampled and irregularly sampled time series. We achieve particularly good performance in case with a small training set and short, noisy, irregularly-sampled time series.

We present visual-like morphologies over 16 photometric bands, from ultra-violet to near infrared, for 8,412 galaxies in the Cluster Lensing And Supernova survey with Hubble (CLASH) obtained by a convolutional neural network (CNN) model. Our model follows the CANDELS main morphological classification scheme, obtaining the probability for each galaxy at each CLASH band of being spheroid, disk, irregular, point source, or unclassifiable. Our catalog contains morphologies for each galaxy with Hmag < 24.5 in every filter where the galaxy is observed. We trained an initial CNN model using approximately 7,500 expert eyeball labels from The Cosmic Assembly Near-IR Deep Extragalactic Legacy Survey (CANDELS). We created eyeball labels for 100 randomly selected galaxies per each of the 16-filters set of CLASH (1,600 galaxy images in total), where each image was classified by at least five of us. We use these labels to fine-tune the network in order to accurately predict labels for the CLASH data and to evaluate the performance of our model. We achieve a root-mean-square error of 0.0991 on the test set. We show that our proposed fine-tuning technique reduces the number of labeled images needed for training, as compared to directly training over the CLASH data, and achieves a better performance. This approach is very useful to minimize eyeball labeling efforts when classifying unlabeled data from new surveys. This will become particularly useful for massive datasets such as the ones coming from near future surveys such as EUCLID or the LSST. Our catalog consists of prediction of probabilities for each galaxy by morphology in their different bands and is made publicly available at http://www.inf.udec.cl/~guille/data/Deep-CLASH.csv., Comment: 11 pages, 11 figures, submitted to Publications of the Astronomical Society of the Pacific