Shirley Ho

Michael McCabe, Bruno Régaldo-Saint Blancard, Liam Holden Parker et al. · cambridge

We introduce multiple physics pretraining (MPP), an autoregressive task-agnostic pretraining approach for physical surrogate modeling of spatiotemporal systems with transformers. In MPP, rather than training one model on a specific physical system, we train a backbone model to predict the dynamics of multiple heterogeneous physical systems simultaneously in order to learn features that are broadly useful across systems and facilitate transfer. In order to learn effectively in this setting, we introduce a shared embedding and normalization strategy that projects the fields of multiple systems into a shared embedding space. We validate the efficacy of our approach on both pretraining and downstream tasks over a broad fluid mechanics-oriented benchmark. We show that a single MPP-pretrained transformer is able to match or outperform task-specific baselines on all pretraining sub-tasks without the need for finetuning. For downstream tasks, we demonstrate that finetuning MPP-trained models results in more accurate predictions across multiple time-steps on systems with previously unseen physical components or higher dimensional systems compared to training from scratch or finetuning pretrained video foundation models. We open-source our code and model weights trained at multiple scales for reproducibility.

Digvijay Wadekar, Leander Thiele, J. Colin Hill et al. · cambridge

Feedback from active galactic nuclei (AGN) and supernovae can affect measurements of integrated SZ flux of halos ($Y_\mathrm{SZ}$) from CMB surveys, and cause its relation with the halo mass ($Y_\mathrm{SZ}-M$) to deviate from the self-similar power-law prediction of the virial theorem. We perform a comprehensive study of such deviations using CAMELS, a suite of hydrodynamic simulations with extensive variations in feedback prescriptions. We use a combination of two machine learning tools (random forest and symbolic regression) to search for analogues of the $Y-M$ relation which are more robust to feedback processes for low masses ($M\lesssim 10^{14}\, h^{-1} \, M_\odot$); we find that simply replacing $Y\rightarrow Y(1+M_*/M_\mathrm{gas})$ in the relation makes it remarkably self-similar. This could serve as a robust multiwavelength mass proxy for low-mass clusters and galaxy groups. Our methodology can also be generally useful to improve the domain of validity of other astrophysical scaling relations. We also forecast that measurements of the $Y-M$ relation could provide percent-level constraints on certain combinations of feedback parameters and/or rule out a major part of the parameter space of supernova and AGN feedback models used in current state-of-the-art hydrodynamic simulations. Our results can be useful for using upcoming SZ surveys (e.g., SO, CMB-S4) and galaxy surveys (e.g., DESI and Rubin) to constrain the nature of baryonic feedback. Finally, we find that the an alternative relation, $Y-M_*$, provides complementary information on feedback than $Y-M$

Christian Kragh Jespersen, Miles Cranmer, Peter Melchior et al. · cambridge, princeton

Efficiently mapping baryonic properties onto dark matter is a major challenge in astrophysics. Although semi-analytic models (SAMs) and hydrodynamical simulations have made impressive advances in reproducing galaxy observables across cosmologically significant volumes, these methods still require significant computation times, representing a barrier to many applications. Graph Neural Networks (GNNs) have recently proven to be the natural choice for learning physical relations. Among the most inherently graph-like structures found in astrophysics are the dark matter merger trees that encode the evolution of dark matter halos. In this paper we introduce a new, graph-based emulator framework, $\texttt{Mangrove}$, and show that it emulates the galactic stellar mass, cold gas mass and metallicity, instantaneous and time-averaged star formation rate, and black hole mass -- as predicted by a SAM -- with root mean squared error up to two times lower than other methods across a $(75 Mpc/h)^3$ simulation box in 40 seconds, 4 orders of magnitude faster than the SAM. We show that $\texttt{Mangrove}$ allows for quantification of the dependence of galaxy properties on merger history. We compare our results to the current state of the art in the field and show significant improvements for all target properties. $\texttt{Mangrove}$ is publicly available.

Pablo Lemos, Miles Cranmer, Muntazir Abidi et al. · cambridge

Simulation-based inference (SBI) is rapidly establishing itself as a standard machine learning technique for analyzing data in cosmological surveys. Despite continual improvements to the quality of density estimation by learned models, applications of such techniques to real data are entirely reliant on the generalization power of neural networks far outside the training distribution, which is mostly unconstrained. Due to the imperfections in scientist-created simulations, and the large computational expense of generating all possible parameter combinations, SBI methods in cosmology are vulnerable to such generalization issues. Here, we discuss the effects of both issues, and show how using a Bayesian neural network framework for training SBI can mitigate biases, and result in more reliable inference outside the training set. We introduce cosmoSWAG, the first application of Stochastic Weight Averaging to cosmology, and apply it to SBI trained for inference on the cosmic microwave background.

Drew Jamieson, Yin Li, Renan Alves de Oliveira et al.

We build a field level emulator for cosmic structure formation that is accurate in the nonlinear regime. Our emulator consists of two convolutional neural networks trained to output the nonlinear displacements and velocities of N-body simulation particles based on their linear inputs. Cosmology dependence is encoded in the form of style parameters at each layer of the neural network, enabling the emulator to effectively interpolate the outcomes of structure formation between different flat $Λ$CDM cosmologies over a wide range of background matter densities. The neural network architecture makes the model differentiable by construction, providing a powerful tool for fast field level inference. We test the accuracy of our method by considering several summary statistics, including the density power spectrum with and without redshift space distortions, the displacement power spectrum, the momentum power spectrum, the density bispectrum, halo abundances, and halo profiles with and without redshift space distortions. We compare these statistics from our emulator with the full N-body results, the COLA method, and a fiducial neural network with no cosmological dependence. We find our emulator gives accurate results down to scales of $k \sim 1\ \mathrm{Mpc}^{-1}\, h$, representing a considerable improvement over both COLA and the fiducial neural network. We also demonstrate that our emulator generalizes well to initial conditions containing primordial non-Gaussianity, without the need for any additional style parameters or retraining.

Siavash Golkar, Mariel Pettee, Michael Eickenberg et al. · cambridge

Due in part to their discontinuous and discrete default encodings for numbers, Large Language Models (LLMs) have not yet been commonly used to process numerically-dense scientific datasets. Rendering datasets as text, however, could help aggregate diverse and multi-modal scientific data into a single training corpus, thereby potentially facilitating the development of foundation models for science. In this work, we introduce xVal, a strategy for continuously tokenizing numbers within language models that results in a more appropriate inductive bias for scientific applications. By training specially-modified language models from scratch on a variety of scientific datasets formatted as text, we find that xVal generally outperforms other common numerical tokenization strategies on metrics including out-of-distribution generalization and computational efficiency.

Pablo Lemos, Liam Parker, ChangHoon Hahn et al.

We present the first simulation-based inference (SBI) of cosmological parameters from field-level analysis of galaxy clustering. Standard galaxy clustering analyses rely on analyzing summary statistics, such as the power spectrum, $P_\ell$, with analytic models based on perturbation theory. Consequently, they do not fully exploit the non-linear and non-Gaussian features of the galaxy distribution. To address these limitations, we use the {\sc SimBIG} forward modelling framework to perform SBI using normalizing flows. We apply SimBIG to a subset of the BOSS CMASS galaxy sample using a convolutional neural network with stochastic weight averaging to perform massive data compression of the galaxy field. We infer constraints on $Ω_m = 0.267^{+0.033}_{-0.029}$ and $σ_8=0.762^{+0.036}_{-0.035}$. While our constraints on $Ω_m$ are in-line with standard $P_\ell$ analyses, those on $σ_8$ are $2.65\times$ tighter. Our analysis also provides constraints on the Hubble constant $H_0=64.5 \pm 3.8 \ {\rm km / s / Mpc}$ from galaxy clustering alone. This higher constraining power comes from additional non-Gaussian cosmological information, inaccessible with $P_\ell$. We demonstrate the robustness of our analysis by showcasing our ability to infer unbiased cosmological constraints from a series of test simulations that are constructed using different forward models than the one used in our training dataset. This work not only presents competitive cosmological constraints but also introduces novel methods for leveraging additional cosmological information in upcoming galaxy surveys like DESI, PFS, and Euclid.

Drew Jamieson, Yin Li, Siyu He et al.

We train a neural network model to predict the full phase space evolution of cosmological N-body simulations. Its success implies that the neural network model is accurately approximating the Green's function expansion that relates the initial conditions of the simulations to its outcome at later times in the deeply nonlinear regime. We test the accuracy of this approximation by assessing its performance on well understood simple cases that have either known exact solutions or well understood expansions. These scenarios include spherical configurations, isolated plane waves, and two interacting plane waves: initial conditions that are very different from the Gaussian random fields used for training. We find our model generalizes well to these well understood scenarios, demonstrating that the networks have inferred general physical principles and learned the nonlinear mode couplings from the complex, random Gaussian training data. These tests also provide a useful diagnostic for finding the model's strengths and weaknesses, and identifying strategies for model improvement. We also test the model on initial conditions that contain only transverse modes, a family of modes that differ not only in their phases but also in their evolution from the longitudinal growing modes used in the training set. When the network encounters these initial conditions that are orthogonal to the training set, the model fails completely. In addition to these simple configurations, we evaluate the model's predictions for the density, displacement, and momentum power spectra with standard initial conditions for N-body simulations. We compare these summary statistics against N-body results and an approximate, fast simulation method called COLA. Our model achieves percent level accuracy at nonlinear scales of $k\sim 1\ \mathrm{Mpc}^{-1}\, h$, representing a significant improvement over COLA.

Thomas Pfeil, Miles Cranmer, Shirley Ho et al. · cambridge

Planet formation is a multi-scale process in which the coagulation of $\mathrm{μm}$-sized dust grains in protoplanetary disks is strongly influenced by the hydrodynamic processes on scales of astronomical units ($\approx 1.5\times 10^8 \,\mathrm{km}$). Studies are therefore dependent on subgrid models to emulate the micro physics of dust coagulation on top of a large scale hydrodynamic simulation. Numerical simulations which include the relevant physical effects are complex and computationally expensive. Here, we present a fast and accurate learned effective model for dust coagulation, trained on data from high resolution numerical coagulation simulations. Our model captures details of the dust coagulation process that were so far not tractable with other dust coagulation prescriptions with similar computational efficiency.

Payel Mukhopadhyay, Stefan S. Nixon, Romain Watteaux et al.

Whether physics foundation models can be usefully deployed on laboratory experiments remains an open question for scientific machine learning (ML). We test this question on the Rayleigh-Taylor instability (RTI), a ubiquitous and demanding fluid instability seen from tabletop flows to supernova explosions, in which small perturbations at a density interface grow into chaotic, multiscale mixing as a lighter fluid accelerates into a heavier one. Standard ML models struggle with RTI, and despite over a century of theoretical, numerical, and experimental work, it carries an unresolved discrepancy between simulation and experiment: the late-time mixing growth rate, $α$, measured in most laboratory experiments ($\sim$ 0.06-0.07), is roughly three times the value from idealized direct numerical simulations (DNS, $\sim$ 0.02). The gap's origin remains debated. These properties make RTI a stringent test for a question that matters well beyond RTI: can foundation models trained only on simulations generalise to sparse, messy, and noisy laboratory settings? We finetune Walrus, a foundation model for continuum dynamics, on three or fewer DNS realizations and recover key RTI physics over long rollouts. Applied zero-shot to sliding-barrier laboratory data, the finetuned model leaves the DNS-like regime and enters the observed growth band, having never seen a single experimental sample. These results provide independent, data-driven evidence that initial conditions play a crucial role in the longstanding sim-experiment gap in $α$. The model also generalises zero-shot to stable stratification, a buoyancy regime absent from training, correctly slowing mixing-layer growth. Together, our results show that foundation models can generalise well beyond their training data, predicting laboratory behavior and unseen physical regimes, opening new ways to probe longstanding simulation-experiment gaps.

Helen Qu, Rudy Morel, Michael McCabe et al.

Machine learning approaches to spatiotemporal physical systems have primarily focused on next-frame prediction, with the goal of learning an accurate emulator for the system's evolution in time. However, these emulators are computationally expensive to train and are subject to performance pitfalls, such as compounding errors during autoregressive rollout. In this work, we take a different perspective and look at scientific tasks further downstream of predicting the next frame, such as estimation of a system's governing physical parameters. Accuracy on these tasks offers a uniquely quantifiable glimpse into the physical relevance of the representations of these models. We evaluate the effectiveness of general-purpose self-supervised methods in learning physics-grounded representations that are useful for downstream scientific tasks. Surprisingly, we find that not all methods designed for physical modeling outperform generic self-supervised learning methods on these tasks, and methods that learn in the latent space (e.g., joint embedding predictive architectures, or JEPAs) outperform those optimizing pixel-level prediction objectives. Code is available at https://github.com/helenqu/physical-representation-learning.

Yan-Mong Chan, Natascha Manger, Yin Li et al.

We investigate the utility of deep learning for modeling the clustering of particles that are aerodynamically coupled to turbulent fluids. Using a Lagrangian particle module within the Athena++ hydrodynamics code, we simulate the dynamics of particles in the Epstein drag regime within a periodic domain of isotropic forced hydrodynamic turbulence. This setup is an idealized model relevant to the collisional growth of micron to mm-sized dust particles in early stage planet formation. The simulation data are used to train a U-Net deep learning model to predict gridded three-dimensional representations of the particle density and velocity fields, given as input the corresponding fluid fields. The trained model qualitatively captures the filamentary structure of clustered particles in a highly non-linear regime. We assess model fidelity by calculating metrics of the density field (the radial distribution function) and of the velocity field (the relative velocity and the relative radial velocity between particles). Although trained only on the spatial fields, the model predicts these statistical quantities with errors that are typically <10%. Our results suggest that, given appropriately expanded training data, deep learning could complement direct numerical simulations in predicting particle clustering within turbulent flows.

Christian Pedersen, Michael Eickenberg, Shirley Ho

Convolutional neural networks (CNNs) have been shown to both extract more information than the traditional two-point statistics from cosmological fields, and marginalise over astrophysical effects extremely well. However, CNNs require large amounts of training data, which is potentially problematic in the domain of expensive cosmological simulations, and it is difficult to interpret the network. In this work we apply the learnable scattering transform, a kind of convolutional neural network that uses trainable wavelets as filters, to the problem of cosmological inference and marginalisation over astrophysical effects. We present two models based on the scattering transform, one constructed for performance, and one constructed for interpretability, and perform a comparison with a CNN. We find that scattering architectures are able to outperform a CNN, significantly in the case of small training data samples. Additionally we present a lightweight scattering network that is highly interpretable.

Christian Pedersen, Tiberiu Tesileanu, Tinghui Wu et al. · cambridge

In Elmarakeby et al., "Biologically informed deep neural network for prostate cancer discovery", a feedforward neural network with biologically informed, sparse connections (P-NET) was presented to model the state of prostate cancer. We verified the reproducibility of the study conducted by Elmarakeby et al., using both their original codebase, and our own re-implementation using more up-to-date libraries. We quantified the contribution of network sparsification by Reactome biological pathways, and confirmed its importance to P-NET's superior performance. Furthermore, we explored alternative neural architectures and approaches to incorporating biological information into the networks. We experimented with three types of graph neural networks on the same training data, and investigated the clinical prediction agreement between different models. Our analyses demonstrated that deep neural networks with distinct architectures make incorrect predictions for individual patient that are persistent across different initializations of a specific neural architecture. This suggests that different neural architectures are sensitive to different aspects of the data, an important yet under-explored challenge for clinical prediction tasks.

Ameya Daigavane, Arthur Kosmala, Miles Cranmer et al. · cambridge

Machine learning has become increasingly popular for efficiently modelling the dynamics of complex physical systems, demonstrating a capability to learn effective models for dynamics which ignore redundant degrees of freedom. Learned simulators typically predict the evolution of the system in a step-by-step manner with numerical integration techniques. However, such models often suffer from instability over long roll-outs due to the accumulation of both estimation and integration error at each prediction step. Here, we propose an alternative construction for learned physical simulators that are inspired by the concept of action-angle coordinates from classical mechanics for describing integrable systems. We propose Action-Angle Networks, which learn a nonlinear transformation from input coordinates to the action-angle space, where evolution of the system is linear. Unlike traditional learned simulators, Action-Angle Networks do not employ any higher-order numerical integration methods, making them extremely efficient at modelling the dynamics of integrable physical systems.

J. Nathan Kutz, Peter Battaglia, Michael Brenner et al.

Machine learning (ML) and artificial intelligence (AI) algorithms are transforming and empowering the characterization and control of dynamic systems in the engineering, physical, and biological sciences. These emerging modeling paradigms require comparative metrics to evaluate a diverse set of scientific objectives, including forecasting, state reconstruction, generalization, and control, while also considering limited data scenarios and noisy measurements. We introduce a common task framework (CTF) for science and engineering, which features a growing collection of challenge data sets with a diverse set of practical and common objectives. The CTF is a critically enabling technology that has contributed to the rapid advance of ML/AI algorithms in traditional applications such as speech recognition, language processing, and computer vision. There is a critical need for the objective metrics of a CTF to compare the diverse algorithms being rapidly developed and deployed in practice today across science and engineering.

Nolan Koblischke, Liam Parker, Francois Lanusse et al.

Finding scientifically interesting phenomena through slow, manual labeling campaigns severely limits our ability to explore the billions of galaxy images produced by telescopes. In this work, we develop a pipeline to create a semantic search engine from completely unlabeled image data. Our method leverages Vision-Language Models (VLMs) to generate descriptions for galaxy images, then contrastively aligns a pre-trained multimodal astronomy foundation model with these embedded descriptions to produce searchable embeddings at scale. We find that current VLMs provide descriptions that are sufficiently informative to train a semantic search model that outperforms direct image similarity search. Our model, AION-Search, achieves state-of-the-art zero-shot performance on finding rare phenomena despite training on randomly selected images with no deliberate curation for rare cases. Furthermore, we introduce a VLM-based re-ranking method that nearly doubles the recall for our most challenging targets in the top-100 results. For the first time, AION-Search enables flexible semantic search scalable to 140 million galaxy images, enabling discovery from previously infeasible searches. More broadly, our work provides an approach for making large, unlabeled scientific image archives semantically searchable, expanding data exploration capabilities in fields from Earth observation to microscopy. The code, data, and app are publicly available at https://github.com/NolanKoblischke/AION-Search

Caleb Lammers, Miles Cranmer, Sam Hadden et al. · cambridge

Constraining planet formation models based on the observed exoplanet population requires generating large samples of synthetic planetary systems, which can be computationally prohibitive. A significant bottleneck is simulating the giant impact phase, during which planetary embryos evolve gravitationally and combine to form planets, which may themselves experience later collisions. To accelerate giant impact simulations, we present a machine learning (ML) approach to predicting collisional outcomes in multiplanet systems. Trained on more than 500,000 $N$-body simulations of three-planet systems, we develop an ML model that can accurately predict which two planets will experience a collision, along with the state of the post-collision planets, from a short integration of the system's initial conditions. Our model greatly improves on non-ML baselines that rely on metrics from dynamics theory, which struggle to accurately predict which pair of planets will experience a collision. By combining with a model for predicting long-term stability, we create an ML-based giant impact emulator, which can predict the outcomes of giant impact simulations with reasonable accuracy and a speedup of up to four orders of magnitude. We expect our model to enable analyses that would not otherwise be computationally feasible. As such, we release our training code, along with an easy-to-use API for our collision outcome model and giant impact emulator.

Keiya Hirashima, Kana Moriwaki, Michiko S. Fujii et al.

Some stars are known to explode at the end of their lives, called supernovae (SNe). The substantial amount of matter and energy that SNe release provides significant feedback to star formation and gas dynamics in a galaxy. SNe release a substantial amount of matter and energy to the interstellar medium, resulting in significant feedback to star formation and gas dynamics in a galaxy. While such feedback has a crucial role in galaxy formation and evolution, in simulations of galaxy formation, it has only been implemented using simple {\it sub-grid models} instead of numerically solving the evolution of gas elements around SNe in detail due to a lack of resolution. We develop a method combining machine learning and Gibbs sampling to predict how a supernova (SN) affects the surrounding gas. The fidelity of our model in the thermal energy and momentum distribution outperforms the low-resolution SN simulations. Our method can replace the SN sub-grid models and help properly simulate un-resolved SN feedback in galaxy formation simulations. We find that employing our new approach reduces the necessary computational cost to $\sim$ 1 percent compared to directly resolving SN feedback.

Ruben Ohana, Michael McCabe, Lucas Meyer et al. · cambridge

Machine learning based surrogate models offer researchers powerful tools for accelerating simulation-based workflows. However, as standard datasets in this space often cover small classes of physical behavior, it can be difficult to evaluate the efficacy of new approaches. To address this gap, we introduce the Well: a large-scale collection of datasets containing numerical simulations of a wide variety of spatiotemporal physical systems. The Well draws from domain experts and numerical software developers to provide 15TB of data across 16 datasets covering diverse domains such as biological systems, fluid dynamics, acoustic scattering, as well as magneto-hydrodynamic simulations of extra-galactic fluids or supernova explosions. These datasets can be used individually or as part of a broader benchmark suite. To facilitate usage of the Well, we provide a unified PyTorch interface for training and evaluating models. We demonstrate the function of this library by introducing example baselines that highlight the new challenges posed by the complex dynamics of the Well. The code and data is available at https://github.com/PolymathicAI/the_well.

Hadi Sotoudeh, Payel Mukhopadhyay, Ruben Ohana et al.

We investigate the impact of tokeniser pretraining on the accuracy and efficiency of physics emulation. Modern high-resolution simulations produce vast volumes of data spanning diverse physical regimes and scales. Training foundation models to learn the dynamics underlying such data enables the modelling of complex multiphysics phenomena, especially in data-limited settings. The emerging class of physics foundation models typically aims to learn two tasks jointly: (i) extracting compact representations of high-resolution spatiotemporal data, and (ii) capturing governing physical dynamics. However, learning both tasks from scratch simultaneously can impede the effectiveness of either process. We show that pretraining the tokeniser with an autoencoding objective prior to training the dynamics model enhances computational efficiency for physics emulation. Notably, the magnitude of this benefit depends on domain alignment: pretraining on the same physical system as the emulation task yields the largest improvements, while pretraining on other systems provides moderate gains. In-domain pretraining reduces VRMSE by 64% after 10,500 training steps compared to training from scratch. To our knowledge, this is the first systematic investigation of tokeniser pretraining for physics foundation models. We further introduce flexible spatiotemporal compression operations that extend causal convolutions to support runtime-adjustable compression ratios, enabling efficient adaptation to diverse downstream tasks. Our findings provide practical guidance for training efficient physics emulators and highlight the importance of strategic pretraining data selection.

Vaibhav Jindal, Albert Liang, Aarti Singh et al.

Finding the initial conditions that led to the current state of the universe is challenging because it involves searching over an intractable input space of initial conditions, along with modeling their evolution via tools such as N-body simulations which are computationally expensive. Recently, deep learning has emerged as a surrogate for N-body simulations by directly learning the mapping between the linear input of an N-body simulation and the final nonlinear output from the simulation, significantly accelerating the forward modeling. However, this still does not reduce the search space for initial conditions. In this work, we pioneer the use of a deterministic convolutional neural network for learning the reverse mapping and show that it accurately recovers the initial linear displacement field over a wide range of scales ($<1$-$2\%$ error up to nearly $k\simeq0.8$-$0.9 \text{ Mpc}^{-1}h$), despite the one-to-many mapping of the inverse problem (due to the divergent backward trajectories at smaller scales). Specifically, we train a V-Net architecture, which outputs the linear displacement of an N-body simulation, given the nonlinear displacement at redshift $z=0$ and the cosmological parameters. The results of our method suggest that a simple deterministic neural network is sufficient for accurately approximating the initial linear states, potentially obviating the need for the more complex and computationally demanding backward modeling methods that were recently proposed.

Miles Cranmer, Daniel Tamayo, Hanno Rein et al.

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.

T. Lucas Makinen, Lachlan Lancaster, Francisco Villaescusa-Navarro et al.

We seek to remove foreground contaminants from 21cm intensity mapping observations. We demonstrate that a deep convolutional neural network (CNN) with a UNet architecture and three-dimensional convolutions, trained on simulated observations, can effectively separate frequency and spatial patterns of the cosmic neutral hydrogen (HI) signal from foregrounds in the presence of noise. Cleaned maps recover cosmological clustering statistics within 10% at all relevant angular scales and frequencies. This amounts to a reduction in prediction variance of over an order of magnitude on small angular scales ($\ell > 300$), and improved accuracy for small radial scales ($k_{\parallel} > 0.17\ \rm h\ Mpc^{-1})$ compared to standard Principal Component Analysis (PCA) methods. We estimate posterior confidence intervals for the network's prediction by training an ensemble of UNets. Our approach demonstrates the feasibility of analyzing 21cm intensity maps, as opposed to derived summary statistics, for upcoming radio experiments, as long as the simulated foreground model is sufficiently realistic. We provide the code used for this analysis on Github https://github.com/tlmakinen/deep21 as well as a browser-based tutorial for the experiment and UNet model via the accompanying http://bit.ly/deep21-colab Colab notebook.

Siavash Golkar, Jake Kovalic, Irina Espejo Morales et al.

Biological function emerges from coupled constraints across sequence, structure, regulation, evolution, and cellular context, yet most foundation models in biology are trained within one modality or for a fixed forward task. We present MIMIC, a generative multimodal foundation model trained on our newly curated and aligned dataset, LORE, linking nucleic acid, protein, evolutionary, structural, regulatory, and semantic/contextual modalities within partially observed biomolecular states. MIMIC uses a split-track encoder-decoder architecture to condition on arbitrary subsets of observed modalities and reconstruct or generate missing components of molecular state across the genome, transcriptome, and proteome. Multimodal conditioning consistently improves MIMIC's sequence reconstruction relative to sequence-only inputs, while its learned representations enable state-of-the-art performance on RNA and protein downstream tasks. MIMIC achieves state-of-the-art splicing prediction, and its joint generative formulation enables isoform-aware inference that further improves performance. Beyond prediction, the same generative framework supports constrained design. For RNA, MIMIC identifies corrective edits in a clinically relevant HBB splice-disrupting mutation without reverting it by using evolutionary and structural signals. For proteins, jointly conditioning on shape and surface chemistry of PD-L1 and hACE2 binding sites produces diverse, high-confidence sequences with strong in silico support for target binding. Finally, MIMIC uses experimental context as semantic conditioning to model assay-dependent RNA chemical probing, rather than treating context as a fixed output. Together, these results position MIMIC's aligned multimodal generative modeling as a strong foundation for unifying representation learning, conditional prediction, and constrained biomolecular design within a single model.

François Rozet, Ruben Ohana, Michael McCabe et al.

The steep computational cost of diffusion models at inference hinders their use as fast physics emulators. In the context of image and video generation, this computational drawback has been addressed by generating in the latent space of an autoencoder instead of the pixel space. In this work, we investigate whether a similar strategy can be effectively applied to the emulation of dynamical systems and at what cost. We find that the accuracy of latent-space emulation is surprisingly robust to a wide range of compression rates (up to 1000x). We also show that diffusion-based emulators are consistently more accurate than non-generative counterparts and compensate for uncertainty in their predictions with greater diversity. Finally, we cover practical design choices, spanning from architectures to optimizers, that we found critical to train latent-space emulators.

Keiya Hirashima, Kana Moriwaki, Michiko S. Fujii et al.

We introduce new high-resolution galaxy simulations accelerated by a surrogate model that reduces the computation cost by approximately 75 percent. Massive stars with a Zero Age Main Sequence mass of more than about 10 $\mathrm{M_\odot}$ explode as core-collapse supernovae (CCSNe), which play a critical role in galaxy formation. The energy released by CCSNe is essential for regulating star formation and driving feedback processes in the interstellar medium (ISM). However, the short integration timesteps required for SNe feedback have presented significant bottlenecks in astrophysical simulations across various scales. Overcoming this challenge is crucial for enabling star-by-star galaxy simulations, which aim to capture the dynamics of individual stars and the inhomogeneous shell's expansion within the turbulent ISM. To address this, our new framework combines direct numerical simulations and surrogate modeling, including machine learning and Gibbs sampling. The star formation history and the time evolution of outflow rates in the galaxy match those obtained from resolved direct numerical simulations. Our new approach achieves high-resolution fidelity while reducing computational costs, effectively bridging the physical scale gap and enabling multi-scale simulations.

Michael McCabe, Payel Mukhopadhyay, Tanya Marwah et al. · cambridge

Foundation models have transformed machine learning for language and vision, but achieving comparable impact in physical simulation remains a challenge. Data heterogeneity and unstable long-term dynamics inhibit learning from sufficiently diverse dynamics, while varying resolutions and dimensionalities challenge efficient training on modern hardware. Through empirical and theoretical analysis, we incorporate new approaches to mitigate these obstacles, including a harmonic-analysis-based stabilization method, load-balanced distributed 2D and 3D training strategies, and compute-adaptive tokenization. Using these tools, we develop Walrus, a transformer-based foundation model developed primarily for fluid-like continuum dynamics. Walrus is pretrained on nineteen diverse scenarios spanning astrophysics, geoscience, rheology, plasma physics, acoustics, and classical fluids. Experiments show that Walrus outperforms prior foundation models on both short and long term prediction horizons on downstream tasks and across the breadth of pretraining data, while ablation studies confirm the value of our contributions to forecast stability, training throughput, and transfer performance over conventional approaches. Code and weights are released for community use.

Rudy Morel, Francesco Pio Ramunno, Jeff Shen et al.

Conditional diffusion models provide a natural framework for probabilistic prediction of dynamical systems and have been successfully applied to fluid dynamics and weather prediction. However, in many settings, the available information at a given time represents only a small fraction of what is needed to predict future states, either due to measurement uncertainty or because only a small fraction of the state can be observed. This is true for example in solar physics, where we can observe the Sun's surface and atmosphere, but its evolution is driven by internal processes for which we lack direct measurements. In this paper, we tackle the probabilistic prediction of partially observable, long-memory dynamical systems, with applications to solar dynamics and the evolution of active regions. We show that standard inference schemes, such as autoregressive rollouts, fail to capture long-range dependencies in the data, largely because they do not integrate past information effectively. To overcome this, we propose a multiscale inference scheme for diffusion models, tailored to physical processes. Our method generates trajectories that are temporally fine-grained near the present and coarser as we move farther away, which enables capturing long-range temporal dependencies without increasing computational cost. When integrated into a diffusion model, we show that our inference scheme significantly reduces the bias of the predicted distributions and improves rollout stability.

Jeff Shen, Francois Lanusse, Liam Holden Parker et al. · cambridge

Sequential scientific data span many resolutions and domains, and unifying them into a common representation is a key step toward developing foundation models for the sciences. Astronomical spectra exemplify this challenge: massive surveys have collected millions of spectra across a wide range of wavelengths and resolutions, yet analyses remain fragmented across spectral domains (e.g., optical vs. infrared) and object types (e.g., stars vs. galaxies), limiting the ability to pool information across datasets. We present a deep learning model that jointly learns from heterogeneous spectra in a self-supervised manner. Our universal spectral tokenizer processes spectra from a variety of object types and resolutions directly on their native wavelength grids, producing intrinsically aligned, homogeneous, and physically meaningful representations that can be efficiently adapted to achieve competitive performance across a range of downstream tasks. For the first time, we demonstrate that a single model can unify spectral data across resolutions and domains, suggesting that our model can serve as a powerful building block for foundation models in astronomy -- and potentially extend to other scientific domains with heterogeneous sequential data, such as climate and healthcare.

Liam Parker, Francois Lanusse, Siavash Golkar et al.

We present AstroCLIP, a single, versatile model that can embed both galaxy images and spectra into a shared, physically meaningful latent space. These embeddings can then be used - without any model fine-tuning - for a variety of downstream tasks including (1) accurate in-modality and cross-modality semantic similarity search, (2) photometric redshift estimation, (3) galaxy property estimation from both images and spectra, and (4) morphology classification. Our approach to implementing AstroCLIP consists of two parts. First, we embed galaxy images and spectra separately by pretraining separate transformer-based image and spectrum encoders in self-supervised settings. We then align the encoders using a contrastive loss. We apply our method to spectra from the Dark Energy Spectroscopic Instrument and images from its corresponding Legacy Imaging Survey. Overall, we find remarkable performance on all downstream tasks, even relative to supervised baselines. For example, for a task like photometric redshift prediction, we find similar performance to a specifically-trained ResNet18, and for additional tasks like physical property estimation (stellar mass, age, metallicity, and sSFR), we beat this supervised baseline by 19\% in terms of $R^2$. We also compare our results to a state-of-the-art self-supervised single-modal model for galaxy images, and find that our approach outperforms this benchmark by roughly a factor of two on photometric redshift estimation and physical property prediction in terms of $R^2$, while remaining roughly in-line in terms of morphology classification. Ultimately, our approach represents the first cross-modal self-supervised model for galaxies, and the first self-supervised transformer-based architectures for galaxy images and spectra.

Leander Thiele, Miles Cranmer, William Coulton et al.

Theoretical uncertainty limits our ability to extract cosmological information from baryonic fields such as the thermal Sunyaev-Zel'dovich (tSZ) effect. Being sourced by the electron pressure field, the tSZ effect depends on baryonic physics that is usually modeled by expensive hydrodynamic simulations. We train neural networks on the IllustrisTNG-300 cosmological simulation to predict the continuous electron pressure field in galaxy clusters from gravity-only simulations. Modeling clusters is challenging for neural networks as most of the gas pressure is concentrated in a handful of voxels and even the largest hydrodynamical simulations contain only a few hundred clusters that can be used for training. Instead of conventional convolutional neural net (CNN) architectures, we choose to employ a rotationally equivariant DeepSets architecture to operate directly on the set of dark matter particles. We argue that set-based architectures provide distinct advantages over CNNs. For example, we can enforce exact rotational and permutation equivariance, incorporate existing knowledge on the tSZ field, and work with sparse fields as are standard in cosmology. We compose our architecture with separate, physically meaningful modules, making it amenable to interpretation. For example, we can separately study the influence of local and cluster-scale environment, determine that cluster triaxiality has negligible impact, and train a module that corrects for mis-centering. Our model improves by 70 % on analytic profiles fit to the same simulation data. We argue that the electron pressure field, viewed as a function of a gravity-only simulation, has inherent stochasticity, and model this property through a conditional-VAE extension to the network. This modification yields further improvement by 7 %, it is limited by our small training set however. (abridged)

Pablo Lemos, Niall Jeffrey, Miles Cranmer et al.

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.

Digvijay Wadekar, Leander Thiele, Francisco Villaescusa-Navarro et al.

Complex astrophysical systems often exhibit low-scatter relations between observable properties (e.g., luminosity, velocity dispersion, oscillation period). These scaling relations illuminate the underlying physics, and can provide observational tools for estimating masses and distances. Machine learning can provide a fast and 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 patterns in a 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 ($M\gtrsim 10^{14}\, h^{-1} \, M_\odot$), 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 CAMELS simulations and show that $Y_\mathrm{conc}$ is robust against variations in cosmology, subgrid physics, and cosmic variance. Our results and methodology can be useful for accurate multiwavelength cluster mass estimation from upcoming CMB and X-ray surveys like ACT, SO, eROSITA and CMB-S4.

Kimberly Stachenfeld, Drummond B. Fielding, Dmitrii Kochkov et al.

Turbulence simulation with classical numerical solvers requires 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 comparably 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, added loss constraints, and dataset augmentation 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.

David Schaurecker, Yin Li, Jeremy Tinker et al.

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.

Ji Won Park, Ashley Villar, Yin Li et al.

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.

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.

Chang Chen, Yin Li, Francisco Villaescusa-Navarro et al.

Understanding the physics of large cosmological surveys down to small (nonlinear) scales will significantly improve our knowledge of the Universe. Large N-body simulations have been built to obtain predictions in the non-linear regime. However, N-body simulations are computationally expensive and generate large amount of data, putting burdens on storage. These data are snapshots of the simulated Universe at different times, and fine sampling is necessary to accurately save its whole history. We employ a deep neural network model to predict the nonlinear N-body simulation at an intermediate time step given two widely separated snapshots. Our results outperform the cubic Hermite interpolation benchmark method in interpolating N-body simulations. This work can greatly reduce the storage requirement and allow us to reconstruct the cosmic history from far fewer snapshots of the universe.

Renan Alves de Oliveira, Yin Li, Francisco Villaescusa-Navarro et al.

Cosmologists aim to model the evolution of initially low amplitude Gaussian density fluctuations into the highly non-linear "cosmic web" of galaxies and clusters. They aim to compare simulations of this structure formation process with observations of large-scale structure traced by galaxies and infer the properties of the dark energy and dark matter that make up 95% of the universe. These ensembles of simulations of billions of galaxies are computationally demanding, so that more efficient approaches to tracing the non-linear growth of structure are needed. We build a V-Net based model that transforms fast linear predictions into fully nonlinear predictions from numerical simulations. Our NN model learns to emulate the simulations down to small scales and is both faster and more accurate than the current state-of-the-art approximate methods. It also achieves comparable accuracy when tested on universes of significantly different cosmological parameters from the one used in training. This suggests that our model generalizes well beyond our training set.

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.

Miles Cranmer, Alvaro Sanchez-Gonzalez, Peter Battaglia et al.

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent representations when we train a GNN in a supervised setting, then we apply symbolic regression to components of the learned model to extract explicit physical relations. We find the correct known equations, including force laws and Hamiltonians, can be extracted from the neural network. We then apply our method to a non-trivial cosmology example-a detailed dark matter simulation-and discover a new analytic formula which can predict the concentration of dark matter from the mass distribution of nearby cosmic structures. The symbolic expressions extracted from the GNN using our technique also generalized to out-of-distribution data better than the GNN itself. Our approach offers alternative directions for interpreting neural networks and discovering novel physical principles from the representations they learn.

Miles Cranmer, Sam Greydanus, Stephan Hoyer et al.

Accurate models of the world are built upon notions of its underlying symmetries. In physics, these symmetries correspond to conservation laws, such as for energy and momentum. Yet even though neural network models see increasing use in the physical sciences, they struggle to learn these symmetries. In this paper, we propose Lagrangian Neural Networks (LNNs), which can parameterize arbitrary Lagrangians using neural networks. In contrast to models that learn Hamiltonians, LNNs do not require canonical coordinates, and thus perform well in situations where canonical momenta are unknown or difficult to compute. Unlike previous approaches, our method does not restrict the functional form of learned energies and will produce energy-conserving models for a variety of tasks. We test our approach on a double pendulum and a relativistic particle, demonstrating energy conservation where a baseline approach incurs dissipation and modeling relativity without canonical coordinates where a Hamiltonian approach fails. Finally, we show how this model can be applied to graphs and continuous systems using a Lagrangian Graph Network, and demonstrate it on the 1D wave equation.

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.

Elena Giusarma, Mauricio Reyes Hurtado, Francisco Villaescusa-Navarro et al.

Measuring the sum of the three active neutrino masses, $M_ν$, is one of the most important challenges in modern cosmology. Massive neutrinos imprint characteristic signatures on several cosmological observables in particular on the large-scale structure of the Universe. In order to maximize the information that can be retrieved from galaxy surveys, accurate theoretical predictions in the non-linear regime are needed. Currently, one way to achieve those predictions is by running cosmological numerical simulations. Unfortunately, producing those simulations requires high computational resources -- several hundred to thousand core-hours for each neutrino mass case. In this work, we propose a new method, based on a deep learning network, to quickly generate simulations with massive neutrinos from standard $Λ$CDM simulations without neutrinos. We computed multiple relevant statistical measures of deep-learning generated simulations, and conclude that our approach is an accurate alternative to the traditional N-body techniques. In particular the power spectrum is within $\simeq 6\%$ down to non-linear scales $k=0.7$~\rm h/Mpc. Finally, our method allows us to generate massive neutrino simulations 10,000 times faster than the traditional methods.

Miles D. Cranmer, Rui Xu, Peter Battaglia et al.

We introduce an approach for imposing physically motivated inductive biases on graph networks to learn interpretable representations and improved zero-shot generalization. Our experiments show that our graph network models, which implement this inductive bias, can learn message representations equivalent to the true force vector when trained on n-body gravitational and spring-like simulations. We use symbolic regression to fit explicit algebraic equations to our trained model's message function and recover the symbolic form of Newton's law of gravitation without prior knowledge. We also show that our model generalizes better at inference time to systems with more bodies than had been experienced during training. Our approach is extensible, in principle, to any unknown interaction law learned by a graph network, and offers a valuable technique for interpreting and inferring explicit causal theories about the world from implicit knowledge captured by deep learning.

Miles D. Cranmer, Richard Galvez, Lauren Anderson et al.

We demonstrate an algorithm for learning a flexible color-magnitude diagram from noisy parallax and photometry measurements using a normalizing flow, a deep neural network capable of learning an arbitrary multi-dimensional probability distribution. We present a catalog of 640M photometric distance posteriors to nearby stars derived from this data-driven model using Gaia DR2 photometry and parallaxes. Dust estimation and dereddening is done iteratively inside the model and without prior distance information, using the Bayestar map. The signal-to-noise (precision) of distance measurements improves on average by more than 48% over the raw Gaia data, and we also demonstrate how the accuracy of distances have improved over other models, especially in the noisy-parallax regime. Applications are discussed, including significantly improved Milky Way disk separation and substructure detection. We conclude with a discussion of future work, which exploits the normalizing flow architecture to allow us to exactly marginalize over missing photometry, enabling the inclusion of many surveys without losing coverage.

Juan Zamudio-Fernandez, Atakan Okan, Francisco Villaescusa-Navarro et al.

One of the most promising ways to observe the Universe is by detecting the 21cm emission from cosmic neutral hydrogen (HI) through radio-telescopes. Those observations can shed light on fundamental astrophysical questions only if accurate theoretical predictions are available. In order to maximize the scientific return of these surveys, those predictions need to include different observables and be precise on non-linear scales. Currently, one of the best ways to achieve this is via cosmological hydrodynamic simulations; however, the computational cost of these simulations is high -- tens of millions of CPU hours. In this work, we use Wasserstein Generative Adversarial Networks (WGANs) to generate new high-resolution ($35~h^{-1}{\rm kpc}$) 3D realizations of cosmic HI at $z=5$. We do so by sampling from a 100-dimension manifold, learned by the generator, that characterizes the fully non-linear abundance and clustering of cosmic HI from the state-of-the-art simulation IllustrisTNG. We show that different statistical properties of the produced samples -- 1D PDF, power spectrum, bispectrum, and void size function -- match very well those of IllustrisTNG, and outperform state-of-the-art models such as Halo Occupation Distributions (HODs). Our WGAN samples reproduce the abundance of HI across 9 orders of magnitude, from the Ly$α$ forest to Damped Lyman Absorbers. WGAN can produce new samples orders of magnitude faster than hydrodynamic simulations.

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.