Rediscovering orbital mechanics with machine learning

We present an approach for using machine learning to automatically discover the governing equations and hidden properties of real physical systems from observations. We train a "graph neural network" to simulate the dynamics of our solar system's Sun, planets, and large moons from 30 years of trajectory data. We then use symbolic regression to discover an analytical expression for the force law implicitly learned by the neural network, which our results showed is equivalent to Newton's law of gravitation. The key assumptions that were required were translational and rotational equivariance, and Newton's second and third laws of motion. Our approach correctly discovered the form of the symbolic force law. Furthermore, our approach did not require any assumptions about the masses of planets and moons or physical constants. They, too, were accurately inferred through our methods. Though, of course, the classical law of gravitation has been known since Isaac Newton, our result serves as a validation that our method can discover unknown laws and hidden properties from observed data. More broadly this work represents a key step toward realizing the potential of machine learning for accelerating scientific discovery.

Augmenting astrophysical scaling relations with machine learning : application to reducing the SZ flux-mass scatter

Complex systems (stars, supernovae, galaxies, and clusters) often exhibit low scatter relations between observable properties (e.g., luminosity, velocity dispersion, oscillation period, temperature). These scaling relations can illuminate the underlying physics and can provide observational tools for estimating masses and distances. Machine learning can provide a systematic way to search for new scaling relations (or for simple extensions to existing relations) in abstract high-dimensional parameter spaces. We use a machine learning tool called symbolic regression (SR), which models the patterns in a given dataset in the form of analytic equations. We focus on the Sunyaev-Zeldovich flux$-$cluster mass relation ($Y_\mathrm{SZ}-M$), the scatter in which affects inference of cosmological parameters from cluster abundance data. Using SR on the data from the IllustrisTNG hydrodynamical simulation, we find a new proxy for cluster mass which combines $Y_\mathrm{SZ}$ and concentration of ionized gas ($c_\mathrm{gas}$): $M \propto Y_\mathrm{conc}^{3/5} \equiv Y_\mathrm{SZ}^{3/5} (1-A\, c_\mathrm{gas})$. $Y_\mathrm{conc}$ reduces the scatter in the predicted $M$ by $\sim 20-30$% for large clusters ($M\gtrsim 10^{14}\, h^{-1} \, M_\odot$) at both high and low redshifts, as compared to using just $Y_\mathrm{SZ}$. We show that the dependence on $c_\mathrm{gas}$ is linked to cores of clusters exhibiting larger scatter than their outskirts. Finally, we test $Y_\mathrm{conc}$ on clusters from simulations of the CAMELS project and show that $Y_\mathrm{conc}$ is robust against variations in cosmology, astrophysics, subgrid physics, and cosmic variance. Our results and methodology can be useful for accurate multiwavelength cluster mass estimation from current and upcoming CMB and X-ray surveys like ACT, SO, SPT, eROSITA and CMB-S4.

Learned Coarse Models for Efficient Turbulence Simulation

Turbulence simulation with classical numerical solvers requires very high-resolution grids to accurately resolve dynamics. Here we train learned simulators at low spatial and temporal resolutions to capture turbulent dynamics generated at high resolution. We show that our proposed model can simulate turbulent dynamics more accurately than classical numerical solvers at the same low resolutions across various scientifically relevant metrics. Our model is trained end-to-end from data and is capable of learning a range of challenging chaotic and turbulent dynamics at low resolution, including trajectories generated by the state-of-the-art Athena++ engine. We show that our simpler, general-purpose architecture outperforms various more specialized, turbulence-specific architectures from the learned turbulence simulation literature. In general, we see that learned simulators yield unstable trajectories; however, we show that tuning training noise and temporal downsampling solves this problem. We also find that while generalization beyond the training distribution is a challenge for learned models, training noise, convolutional architectures, and added loss constraints can help. Broadly, we conclude that our learned simulator outperforms traditional solvers run on coarser grids, and emphasize that simple design choices can offer stability and robust generalization.

Super-resolving Dark Matter Halos using Generative Deep Learning

Generative deep learning methods built upon Convolutional Neural Networks (CNNs) provide a great tool for predicting non-linear structure in cosmology. In this work we predict high resolution dark matter halos from large scale, low resolution dark matter only simulations. This is achieved by mapping lower resolution to higher resolution density fields of simulations sharing the same cosmology, initial conditions and box-sizes. To resolve structure down to a factor of 8 increase in mass resolution, we use a variation of U-Net with a conditional GAN, generating output that visually and statistically matches the high resolution target extremely well. This suggests that our method can be used to create high resolution density output over Gpc/h box-sizes from low resolution simulations with negligible computational effort.

Inferring Black Hole Properties from Astronomical Multivariate Time Series with Bayesian Attentive Neural Processes

Among the most extreme objects in the Universe, active galactic nuclei (AGN) are luminous centers of galaxies where a black hole feeds on surrounding matter. The variability patterns of the light emitted by an AGN contain information about the physical properties of the underlying black hole. Upcoming telescopes will observe over 100 million AGN in multiple broadband wavelengths, yielding a large sample of multivariate time series with long gaps and irregular sampling. We present a method that reconstructs the AGN time series and simultaneously infers the posterior probability density distribution (PDF) over the physical quantities of the black hole, including its mass and luminosity. We apply this method to a simulated dataset of 11,000 AGN and report precision and accuracy of 0.4 dex and 0.3 dex in the inferred black hole mass. This work is the first to address probabilistic time series reconstruction and parameter inference for AGN in an end-to-end fashion.

A Deep Learning Approach for Active Anomaly Detection of Extragalactic Transients

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.

A Bayesian neural network predicts the dissolution of compact planetary systems

Despite over three hundred years of effort, no solutions exist for predicting when a general planetary configuration will become unstable. We introduce a deep learning architecture to push forward this problem for compact systems. While current machine learning algorithms in this area rely on scientist-derived instability metrics, our new technique learns its own metrics from scratch, enabled by a novel internal structure inspired from dynamics theory. Our Bayesian neural network model can accurately predict not only if, but also when a compact planetary system with three or more planets will go unstable. Our model, trained directly from short N-body time series of raw orbital elements, is more than two orders of magnitude more accurate at predicting instability times than analytical estimators, while also reducing the bias of existing machine learning algorithms by nearly a factor of three. Despite being trained on compact resonant and near-resonant three-planet configurations, the model demonstrates robust generalization to both non-resonant and higher multiplicity configurations, in the latter case outperforming models fit to that specific set of integrations. The model computes instability estimates up to five orders of magnitude faster than a numerical integrator, and unlike previous efforts provides confidence intervals on its predictions. Our inference model is publicly available in the SPOCK package, with training code open-sourced.