Gabriella Contardo

Uros Zivanovic, Serafina Di Gioia, Andre Scaffidi et al.

Applying Transformers to irregular time-series typically requires specializations to their baseline architecture, which can result in additional computational overhead and increased method complexity. We present the Rotary Masked Autoencoder (RoMAE), which utilizes the popular Rotary Positional Embedding (RoPE) method for continuous positions. RoMAE is an extension to the Masked Autoencoder (MAE) that enables interpolation and representation learning with multidimensional continuous positional information while avoiding any time-series-specific architectural specializations. We showcase RoMAE's performance on a variety of modalities including irregular and multivariate time-series, images, and audio, demonstrating that RoMAE surpasses specialized time-series architectures on difficult datasets such as the DESC ELAsTiCC Challenge while maintaining MAE's usual performance across other modalities. In addition, we investigate RoMAE's ability to reconstruct the embedded continuous positions, demonstrating that including learned embeddings in the input sequence breaks RoPE's relative position property.

Sebastian Springer, Andre Scaffidi, Maximilian Autenrieth et al.

Detecting localized density differences in multivariate data is a crucial task in computational science. Such anomalies can indicate a critical system failure, lead to a groundbreaking scientific discovery, or reveal unexpected changes in data distribution. We introduce EagleEye, an anomaly detection method to compare two multivariate datasets with the aim of identifying local density anomalies, namely over- or under-densities affecting only localised regions of the feature space. Anomalies are detected by modelling, for each point, the ordered sequence of its neighbours' membership label as a coin-flipping process and monitoring deviations from the expected behaviour of such process. A unique advantage of our method is its ability to provide an accurate, entirely unsupervised estimate of the local signal purity. We demonstrate its effectiveness through experiments on both synthetic and real-world datasets. In synthetic data, EagleEye accurately detects anomalies in multiple dimensions even when they affect a tiny fraction of the data. When applied to a challenging resonant anomaly detection benchmark task in simulated Large Hadron Collider data, EagleEye successfully identifies particle decay events present in just 0.3% of the dataset. In global temperature data, EagleEye uncovers previously unidentified, geographically localised changes in temperature fields that occurred in the most recent years. Thanks to its key advantages of conceptual simplicity, computational efficiency, trivial parallelisation, and scalability, EagleEye is widely applicable across many fields.

Juan Calles, Jacky H. T. Yip, Gabriella Contardo et al.

Building upon [2308.02636], we investigate the constraining power of persistent homology on cosmological parameters and primordial non-Gaussianity in a likelihood-free inference pipeline utilizing machine learning. We evaluate the ability of Persistence Images (PIs) to infer parameters, comparing them to the combined Power Spectrum and Bispectrum (PS/BS). We also compare two classes of models: neural-based and tree-based. PIs consistently lead to better predictions compared to the combined PS/BS for parameters that can be constrained, i.e., for $\{Ω_{\rm m}, σ_8, n_{\rm s}, f_{\rm NL}^{\rm loc}\}$. PIs perform particularly well for $f_{\rm NL}^{\rm loc}$, highlighting the potential of persistent homology for constraining primordial non-Gaussianity. Our results indicate that combining PIs with PS/BS provides only marginal gains, indicating that the PS/BS contains little additional or complementary information to the PIs. Finally, we provide a visualization of the most important topological features for $f_{\rm NL}^{\rm loc}$ and for $Ω_{\rm m}$. This reveals that clusters and voids (0-cycles and 2-cycles) are most informative for $Ω_{\rm m}$, while $f_{\rm NL}^{\rm loc}$ is additionally informed by filaments (1-cycles).

Francisco Villaescusa-Navarro, Shy Genel, Daniel Angles-Alcazar et al.

We present the Cosmology and Astrophysics with MachinE Learning Simulations (CAMELS) Multifield Dataset, CMD, a collection of hundreds of thousands of 2D maps and 3D grids containing many different properties of cosmic gas, dark matter, and stars from 2,000 distinct simulated universes at several cosmic times. The 2D maps and 3D grids represent cosmic regions that span $\sim$100 million light years and have been generated from thousands of state-of-the-art hydrodynamic and gravity-only N-body simulations from the CAMELS project. Designed to train machine learning models, CMD is the largest dataset of its kind containing more than 70 Terabytes of data. In this paper we describe CMD in detail and outline a few of its applications. We focus our attention on one such task, parameter inference, formulating the problems we face as a challenge to the community. We release all data and provide further technical details at https://camels-multifield-dataset.readthedocs.io.

V. Ashley Villar, Miles Cranmer, Edo Berger et al.

There is a shortage of multi-wavelength and spectroscopic followup capabilities given the number of transient and variable astrophysical events discovered through wide-field, optical surveys such as the upcoming Vera C. Rubin Observatory. From the haystack of potential science targets, astronomers must allocate scarce resources to study a selection of needles in real time. Here we present a variational recurrent autoencoder neural network to encode simulated Rubin Observatory extragalactic transient events using 1% of the PLAsTiCC dataset to train the autoencoder. Our unsupervised method uniquely works with unlabeled, real time, multivariate and aperiodic data. We rank 1,129,184 events based on an anomaly score estimated using an isolation forest. We find that our pipeline successfully ranks rarer classes of transients as more anomalous. Using simple cuts in anomaly score and uncertainty, we identify a pure (~95% pure) sample of rare transients (i.e., transients other than Type Ia, Type II and Type Ibc supernovae) including superluminous and pair-instability supernovae. Finally, our algorithm is able to identify these transients as anomalous well before peak, enabling real-time follow up studies in the era of the Rubin Observatory.

V. Ashley Villar, Miles Cranmer, Gabriella Contardo et al.

Supernovae mark the explosive deaths of stars and enrich the cosmos with heavy elements. Future telescopes will discover thousands of new supernovae nightly, creating a need to flag astrophysically interesting events rapidly for followup study. Ideally, such an anomaly detection pipeline would be independent of our current knowledge and be sensitive to unexpected phenomena. Here we present an unsupervised method to search for anomalous time series in real time for transient, multivariate, and aperiodic signals. We use a RNN-based variational autoencoder to encode supernova time series and an isolation forest to search for anomalous events in the learned encoded space. We apply this method to a simulated dataset of 12,159 supernovae, successfully discovering anomalous supernovae and objects with catastrophically incorrect redshift measurements. This work is the first anomaly detection pipeline for supernovae which works with online datastreams.

Ademola Oladosu, Tony Xu, Philip Ekfeldt et al.

This paper presents a meta-learning framework for few-shots One-Class Classification (OCC) at test-time, a setting where labeled examples are only available for the positive class, and no supervision is given for the negative example. We consider that we have a set of `one-class classification' objective-tasks with only a small set of positive examples available for each task, and a set of training tasks with full supervision (i.e. highly imbalanced classification). We propose an approach using order-equivariant networks to learn a 'meta' binary-classifier. The model will take as input an example to classify from a given task, as well as the corresponding supervised set of positive examples for this OCC task. Thus, the output of the model will be 'conditioned' on the available positive example of a given task, allowing to predict on new tasks and new examples without labeled negative examples. In this paper, we are motivated by an astronomy application. Our goal is to identify if stars belong to a specific stellar group (the 'one-class' for a given task), called \textit{stellar streams}, where each stellar stream is a different OCC-task. We show that our method transfers well on unseen (test) synthetic streams, and outperforms the baselines even though it is not retrained and accesses a much smaller part of the data per task to predict (only positive supervision). We see however that it doesn't transfer as well on the real stream GD-1. This could come from intrinsic differences from the synthetic and real stream, highlighting the need for consistency in the 'nature' of the task for this method. However, light fine-tuning improve performances and outperform our baselines. Our experiments show encouraging results to further explore meta-learning methods for OCC tasks.

Wolfgang E. Kerzendorf, Christian Vogl, Johannes Buchner et al.

Supernova spectral time series contain a wealth of information about the progenitor and explosion process of these energetic events. The modeling of these data requires the exploration of very high dimensional posterior probabilities with expensive radiative transfer codes. Even modest parametrizations of supernovae contain more than ten parameters and a detailed exploration demands at least several million function evaluations. Physically realistic models require at least tens of CPU minutes per evaluation putting a detailed reconstruction of the explosion out of reach of traditional methodology. The advent of widely available libraries for the training of neural networks combined with their ability to approximate almost arbitrary functions with high precision allows for a new approach to this problem. Instead of evaluating the radiative transfer model itself, one can build a neural network proxy trained on the simulations but evaluating orders of magnitude faster. Such a framework is called an emulator or surrogate model. In this work, we present an emulator for the TARDIS supernova radiative transfer code applied to Type Ia supernova spectra. We show that we can train an emulator for this problem given a modest training set of a hundred thousand spectra (easily calculable on modern supercomputers). The results show an accuracy on the percent level (that are dominated by the Monte Carlo nature of TARDIS and not the emulator) with a speedup of several orders of magnitude. This method has a much broader set of applications and is not limited to the presented problem.

Jacky H. T. Yip, Xinyue Zhang, Yanfang Wang et al.

Cosmological simulations play an important role in the interpretation of astronomical data, in particular in comparing observed data to our theoretical expectations. However, to compare data with these simulations, the simulations in principle need to include gravity, magneto-hydrodyanmics, radiative transfer, etc. These ideal large-volume simulations (gravo-magneto-hydrodynamical) are incredibly computationally expensive which can cost tens of millions of CPU hours to run. In this paper, we propose a deep learning approach to map from the dark-matter-only simulation (computationally cheaper) to the galaxy distribution (from the much costlier cosmological simulation). The main challenge of this task is the high sparsity in the target galaxy distribution: space is mainly empty. We propose a cascade architecture composed of a classification filter followed by a regression procedure. We show that our result outperforms a state-of-the-art model used in the astronomical community, and provides a good trade-off between computational cost and prediction accuracy.

Xinyue Zhang, Yanfang Wang, Wei Zhang et al.

Cosmological surveys aim at answering fundamental questions about our Universe, including the nature of dark matter or the reason of unexpected accelerated expansion of the Universe. In order to answer these questions, two important ingredients are needed: 1) data from observations and 2) a theoretical model that allows fast comparison between observation and theory. Most of the cosmological surveys observe galaxies, which are very difficult to model theoretically due to the complicated physics involved in their formation and evolution; modeling realistic galaxies over cosmological volumes requires running computationally expensive hydrodynamic simulations that can cost millions of CPU hours. In this paper, we propose to use deep learning to establish a mapping between the 3D galaxy distribution in hydrodynamic simulations and its underlying dark matter distribution. One of the major challenges in this pursuit is the very high sparsity in the predicted galaxy distribution. To this end, we develop a two-phase convolutional neural network architecture to generate fast galaxy catalogues, and compare our results against a standard cosmological technique. We find that our proposed approach either outperforms or is competitive with traditional cosmological techniques. Compared to the common methods used in cosmology, our approach also provides a nice trade-off between time-consumption (comparable to fastest benchmark in the literature) and the quality and accuracy of the predicted simulation. In combination with current and upcoming data from cosmological observations, our method has the potential to answer fundamental questions about our Universe with the highest accuracy.

Gabriella Contardo, Ludovic Denoyer, Thierry Artieres

We consider the problem of learning when obtaining the training labels is costly, which is usually tackled in the literature using active-learning techniques. These approaches provide strategies to choose the examples to label before or during training. These strategies are usually based on heuristics or even theoretical measures, but are not learned as they are directly used during training. We design a model which aims at \textit{learning active-learning strategies} using a meta-learning setting. More specifically, we consider a pool-based setting, where the system observes all the examples of the dataset of a problem and has to choose the subset of examples to label in a single shot. Experiments show encouraging results.

Gabriella Contardo, Ludovic Denoyer, Thierry Artières

We propose a reinforcement learning based approach to tackle the cost-sensitive learning problem where each input feature has a specific cost. The acquisition process is handled through a stochastic policy which allows features to be acquired in an adaptive way. The general architecture of our approach relies on representation learning to enable performing prediction on any partially observed sample, whatever the set of its observed features are. The resulting model is an original mix of representation learning and of reinforcement learning ideas. It is learned with policy gradient techniques to minimize a budgeted inference cost. We demonstrate the effectiveness of our proposed method with several experiments on a variety of datasets for the sparse prediction problem where all features have the same cost, but also for some cost-sensitive settings.

Gabriella Contardo, Ludovic Denoyer, Thierry Artieres

A standard approach to Collaborative Filtering (CF), i.e. prediction of user ratings on items, relies on Matrix Factorization techniques. Representations for both users and items are computed from the observed ratings and used for prediction. Unfortunatly, these transductive approaches cannot handle the case of new users arriving in the system, with no known rating, a problem known as user cold-start. A common approach in this context is to ask these incoming users for a few initialization ratings. This paper presents a model to tackle this twofold problem of (i) finding good questions to ask, (ii) building efficient representations from this small amount of information. The model can also be used in a more standard (warm) context. Our approach is evaluated on the classical CF problem and on the cold-start problem on four different datasets showing its ability to improve baseline performance in both cases.

Gabriella Contardo, Ludovic Denoyer, Thierry Artieres et al.

We propose to deal with sequential processes where only partial observations are available by learning a latent representation space on which policies may be accurately learned.