CHARM: Creating Halos with Auto-Regressive Multi-stage networks

To maximize the amount of information extracted from cosmological datasets, simulations that accurately represent these observations are necessary. However, traditional simulations that evolve particles under gravity by estimating particle-particle interactions (N-body simulations) are computationally expensive and prohibitive to scale to the large volumes and resolutions necessary for the upcoming datasets. Moreover, modeling the distribution of galaxies typically involves identifying virialized dark matter halos, which is also a time- and memory-consuming process for large N-body simulations, further exacerbating the computational cost. In this study, we introduce CHARM, a novel method for creating mock halo catalogs by matching the spatial, mass, and velocity statistics of halos directly from the large-scale distribution of the dark matter density field. We develop multi-stage neural spline flow-based networks to learn this mapping at redshift z=0.5 directly with computationally cheaper low-resolution particle mesh simulations instead of relying on the high-resolution N-body simulations. We show that the mock halo catalogs and painted galaxy catalogs have the same statistical properties as obtained from $N$-body simulations in both real space and redshift space. Finally, we use these mock catalogs for cosmological inference using redshift-space galaxy power spectrum, bispectrum, and wavelet-based statistics using simulation-based inference, performing the first inference with accelerated forward model simulations and finding unbiased cosmological constraints with well-calibrated posteriors. The code was developed as part of the Simons Collaboration on Learning the Universe and is publicly available at \url{https://github.com/shivampcosmo/CHARM}.

How DREAMS are made: Emulating Satellite Galaxy and Subhalo Populations with Diffusion Models and Point Clouds

The connection between galaxies and their host dark matter (DM) halos is critical to our understanding of cosmology, galaxy formation, and DM physics. To maximize the return of upcoming cosmological surveys, we need an accurate way to model this complex relationship. Many techniques have been developed to model this connection, from Halo Occupation Distribution (HOD) to empirical and semi-analytic models to hydrodynamic. Hydrodynamic simulations can incorporate more detailed astrophysical processes but are computationally expensive; HODs, on the other hand, are computationally cheap but have limited accuracy. In this work, we present NeHOD, a generative framework based on variational diffusion model and Transformer, for painting galaxies/subhalos on top of DM with an accuracy of hydrodynamic simulations but at a computational cost similar to HOD. By modeling galaxies/subhalos as point clouds, instead of binning or voxelization, we can resolve small spatial scales down to the resolution of the simulations. For each halo, NeHOD predicts the positions, velocities, masses, and concentrations of its central and satellite galaxies. We train NeHOD on the TNG-Warm DM suite of the DREAMS project, which consists of 1024 high-resolution zoom-in hydrodynamic simulations of Milky Way-mass halos with varying warm DM mass and astrophysical parameters. We show that our model captures the complex relationships between subhalo properties as a function of the simulation parameters, including the mass functions, stellar-halo mass relations, concentration-mass relations, and spatial clustering. Our method can be used for a large variety of downstream applications, from galaxy clustering to strong lensing studies.

Domain Adaptive Graph Neural Networks for Constraining Cosmological Parameters Across Multiple Data Sets

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics implementation and numerical approximations across different simulation suites, models trained on data from one cosmological simulation show a drop in performance when tested on another. Similarly, models trained on any of the simulations would also likely experience a drop in performance when applied to observational data. Training on data from two different suites of the CAMELS hydrodynamic cosmological simulations, we examine the generalization capabilities of Domain Adaptive Graph Neural Networks (DA-GNNs). By utilizing GNNs, we capitalize on their capacity to capture structured scale-free cosmological information from galaxy distributions. Moreover, by including unsupervised domain adaptation via Maximum Mean Discrepancy (MMD), we enable our models to extract domain-invariant features. We demonstrate that DA-GNN achieves higher accuracy and robustness on cross-dataset tasks (up to $28\%$ better relative error and up to almost an order of magnitude better $\chi^2$). Using data visualizations, we show the effects of domain adaptation on proper latent space data alignment. This shows that DA-GNNs are a promising method for extracting domain-independent cosmological information, a vital step toward robust deep learning for real cosmic survey data.

Field-level simulation-based inference with galaxy catalogs: the impact of systematic effects

It has been recently shown that a powerful way to constrain cosmological parameters from galaxy redshift surveys is to train graph neural networks to perform field-level likelihood-free inference without imposing cuts on scale. In particular, de Santi et al. (2023) developed models that could accurately infer the value of $\Omega_{\rm m}$ from catalogs that only contain the positions and radial velocities of galaxies that are robust to uncertainties in astrophysics and subgrid models. However, observations are affected by many effects, including 1) masking, 2) uncertainties in peculiar velocities and radial distances, and 3) different galaxy selections. Moreover, observations only allow us to measure redshift, intertwining galaxies' radial positions and velocities. In this paper we train and test our models on galaxy catalogs, created from thousands of state-of-the-art hydrodynamic simulations run with different codes from the CAMELS project, that incorporate these observational effects. We find that, although the presence of these effects degrades the precision and accuracy of the models, and increases the fraction of catalogs where the model breaks down, the fraction of galaxy catalogs where the model performs well is over 90 %, demonstrating the potential of these models to constrain cosmological parameters even when applied to real data.

The CAMELS project: Expanding the galaxy formation model space with new ASTRID and 28-parameter TNG and SIMBA suites

We present CAMELS-ASTRID, the third suite of hydrodynamical simulations in the Cosmology and Astrophysics with MachinE Learning (CAMELS) project, along with new simulation sets that extend the model parameter space based on the previous frameworks of CAMELS-TNG and CAMELS-SIMBA, to provide broader training sets and testing grounds for machine-learning algorithms designed for cosmological studies. CAMELS-ASTRID employs the galaxy formation model following the ASTRID simulation and contains 2,124 hydrodynamic simulation runs that vary 3 cosmological parameters ($\Omega_m$, $\sigma_8$, $\Omega_b$) and 4 parameters controlling stellar and AGN feedback. Compared to the existing TNG and SIMBA simulation suites in CAMELS, the fiducial model of ASTRID features the mildest AGN feedback and predicts the least baryonic effect on the matter power spectrum. The training set of ASTRID covers a broader variation in the galaxy populations and the baryonic impact on the matter power spectrum compared to its TNG and SIMBA counterparts, which can make machine-learning models trained on the ASTRID suite exhibit better extrapolation performance when tested on other hydrodynamic simulation sets. We also introduce extension simulation sets in CAMELS that widely explore 28 parameters in the TNG and SIMBA models, demonstrating the enormity of the overall galaxy formation model parameter space and the complex non-linear interplay between cosmology and astrophysical processes. With the new simulation suites, we show that building robust machine-learning models favors training and testing on the largest possible diversity of galaxy formation models. We also demonstrate that it is possible to train accurate neural networks to infer cosmological parameters using the high-dimensional TNG-SB28 simulation set.

Robust field-level likelihood-free inference with galaxies

We train graph neural networks to perform field-level likelihood-free inference using galaxy catalogs from state-of-the-art hydrodynamic simulations of the CAMELS project. Our models are rotationally, translationally, and permutation invariant and have no scale cutoff. By training on galaxy catalogs that only contain the 3D positions and radial velocities of approximately $1,000$ galaxies in tiny volumes of $(25~h^{-1}{\rm Mpc})^3$, our models achieve a precision of approximately $12$% when inferring the value of $\Omega_{\rm m}$. To test the robustness of our models, we evaluated their performance on galaxy catalogs from thousands of hydrodynamic simulations, each with different efficiencies of supernova and AGN feedback, run with five different codes and subgrid models, including IllustrisTNG, SIMBA, Astrid, Magneticum, and SWIFT-EAGLE. Our results demonstrate that our models are robust to astrophysics, subgrid physics, and subhalo/galaxy finder changes. Furthermore, we test our models on 1,024 simulations that cover a vast region in parameter space - variations in 5 cosmological and 23 astrophysical parameters - finding that the model extrapolates really well. Including both positions and velocities are key to building robust models, and our results indicate that our networks have likely learned an underlying physical relation that does not depend on galaxy formation and is valid on scales larger than, at least, $~\sim10~h^{-1}{\rm kpc}$.

Robust field-level inference with dark matter halos

We train graph neural networks on halo catalogues from Gadget N-body simulations to perform field-level likelihood-free inference of cosmological parameters. The catalogues contain $\lesssim$5,000 halos with masses $\gtrsim 10^{10}~h^{-1}M_\odot$ in a periodic volume of $(25~h^{-1}{\rm Mpc})^3$; every halo in the catalogue is characterized by several properties such as position, mass, velocity, concentration, and maximum circular velocity. Our models, built to be permutationally, translationally, and rotationally invariant, do not impose a minimum scale on which to extract information and are able to infer the values of $\Omega_{\rm m}$ and $\sigma_8$ with a mean relative error of $\sim6\%$, when using positions plus velocities and positions plus masses, respectively. More importantly, we find that our models are very robust: they can infer the value of $\Omega_{\rm m}$ and $\sigma_8$ when tested using halo catalogues from thousands of N-body simulations run with five different N-body codes: Abacus, CUBEP$^3$M, Enzo, PKDGrav3, and Ramses. Surprisingly, the model trained to infer $\Omega_{\rm m}$ also works when tested on thousands of state-of-the-art CAMELS hydrodynamic simulations run with four different codes and subgrid physics implementations. Using halo properties such as concentration and maximum circular velocity allow our models to extract more information, at the expense of breaking the robustness of the models. This may happen because the different N-body codes are not converged on the relevant scales corresponding to these parameters.

The SZ flux-mass relation at low halo masses: improvements with symbolic regression and strong constraints on baryonic feedback

Ionized gas in the halo circumgalactic medium leaves an imprint on the cosmic microwave background via the thermal Sunyaev-Zeldovich (tSZ) effect. Feedback from active galactic nuclei (AGN) and supernovae can affect the measurements of the integrated tSZ flux of halos ($Y_\mathrm{SZ}$) 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 $Y-M$.

Simple lessons from complex learning: what a neural network model learns about cosmic structure formation

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.

Field Level Neural Network Emulator for Cosmological N-body Simulations

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 $\Lambda$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.