Knowledge of the primordial matter density field from which the large-scale structure of the Universe emerged over cosmic time is of fundamental importance for cosmology. However, reconstructing these cosmological initial conditions from late-time observations is a notoriously difficult task, which requires advanced cosmological simulators and sophisticated statistical methods to explore a multi-million-dimensional parameter space. We show how simulation-based inference (SBI) can be used to tackle this problem and to obtain data-constrained realisations of the primordial dark matter density field in a simulation-efficient way with general non-differentiable simulators. Our method is applicable to full high-resolution dark matter $N$-body simulations and is based on modelling the posterior distribution of the constrained initial conditions to be Gaussian with a diagonal covariance matrix in Fourier space. As a result, we can generate thousands of posterior samples within seconds on a single GPU, orders of magnitude faster than existing methods, paving the way for sequential SBI for cosmological fields. Furthermore, we perform an analytical fit of the estimated dependence of the covariance on the wavenumber, effectively transforming any point-estimator of initial conditions into a fast sampler. We test the validity of our obtained samples by comparing them to the true values with summary statistics and performing a Bayesian consistency test.

Reconstructing cosmological initial conditions (ICs) from late-time observations is a difficult task, which relies on the use of computationally expensive simulators alongside sophisticated statistical methods to navigate multi-million dimensional parameter spaces. We present a simple method for Bayesian field reconstruction based on modeling the posterior distribution of the initial matter density field to be diagonal Gaussian in Fourier space, with its covariance and the mean estimator being the trainable parts of the algorithm. Training and sampling are extremely fast (training: $\sim 1 \, \mathrm{h}$ on a GPU, sampling: $\lesssim 3 \, \mathrm{s}$ for 1000 samples at resolution $128^3$), and our method supports industry-standard (non-differentiable) $N$-body simulators. We verify the fidelity of the obtained IC samples in terms of summary statistics.

Astronomical observations typically provide three-dimensional maps, encoding the distribution of the observed flux in (1) the two angles of the celestial sphere and (2) energy/frequency. An important task regarding such maps is to statistically characterize populations of point sources too dim to be individually detected. As the properties of a single dim source will be poorly constrained, instead one commonly studies the population as a whole, inferring a source-count distribution (SCD) that describes the number density of sources as a function of their brightness. Statistical and machine learning methods for recovering SCDs exist; however, they typically entirely neglect spectral information associated with the energy distribution of the flux. We present a deep learning framework able to jointly reconstruct the spectra of different emission components and the SCD of point-source populations. In a proof-of-concept example, we show that our method accurately extracts even complex-shaped spectra and SCDs from simulated maps.

Reconstructing astrophysical and cosmological fields from observations is challenging. It requires accounting for non-linear transformations, mixing of spatial structure, and noise. In contrast, forward simulators that map fields to observations are readily available for many applications. We present a versatile Bayesian field reconstruction algorithm rooted in simulation-based inference and enhanced by autoregressive modeling. The proposed technique is applicable to generic (non-differentiable) forward simulators and allows sampling from the posterior for the underlying field. We show first promising results on a proof-of-concept application: the recovery of cosmological initial conditions from late-time density fields.

In recent years, deep learning models have been successfully employed for augmenting low-resolution cosmological simulations with small-scale information, a task known as "super-resolution". So far, these cosmological super-resolution models have relied on generative adversarial networks (GANs), which can achieve highly realistic results, but suffer from various shortcomings (e.g. low sample diversity). We introduce denoising diffusion models as a powerful generative model for super-resolving cosmic large-scale structure predictions (as a first proof-of-concept in two dimensions). To obtain accurate results down to small scales, we develop a new "filter-boosted" training approach that redistributes the importance of different scales in the pixel-wise training objective. We demonstrate that our model not only produces convincing super-resolution images and power spectra consistent at the percent level, but is also able to reproduce the diversity of small-scale features consistent with a given low-resolution simulation. This enables uncertainty quantification for the generated small-scale features, which is critical for the usefulness of such super-resolution models as a viable surrogate model for cosmic structure formation.

Although ubiquitous in the sciences, histogram data have not received much attention by the Deep Learning community. Whilst regression and classification tasks for scalar and vector data are routinely solved by neural networks, a principled approach for estimating histogram labels as a function of an input vector or image is lacking in the literature. We present a dedicated method for Deep Learning-based histogram regression, which incorporates cross-bin information and yields distributions over possible histograms, expressed by $\tau$-quantiles of the cumulative histogram in each bin. The crux of our approach is a new loss function obtained by applying the pinball loss to the cumulative histogram, which for 1D histograms reduces to the Earth Mover's distance (EMD) in the special case of the median ($\tau = 0.5$), and generalizes it to arbitrary quantiles. We validate our method with an illustrative toy example, a football-related task, and an astrophysical computer vision problem. We show that with our loss function, the accuracy of the predicted median histograms is very similar to the standard EMD case (and higher than for per-bin loss functions such as cross-entropy), while the predictions become much more informative at almost no additional computational cost.