Don't Cut Corners: How Training Outside the Prior Makes Simulation-Based Inference More Robust

Large astrophysical simulation campaigns often generate training data by sampling parameters across a Uniform prior box. Due to the proposal's sharp edge, neural posterior estimators struggle to learn accurate approximations near the boundaries. We propose Tailed-Uniform, a family of hybrid proposal distributions for sampling training simulations for robust simulation-based inference. By padding the original hard-truncated training box with decaying tails, Tailed-Uniform-trained networks yield more accurate posteriors near and beyond the edges. We demonstrate these improvements on a family of tail shapes, including a widened Uniform box as a control. Our results suggest that additional simulations near the prior boundary better constrain the networks as it approaches the edge of the training box, even for Uniform assumed priors. We show these advantages on a toy problem and cosmological parameter inference from the matter power spectrum. These benefits increase in high dimensions, where boundaries dominate parameter space volume.

PhysAttNet: Enhancing Predictive Performance in Industrial and Astrophysical Time Series via Physics-Informed Attention

Accurate and robust time series forecasting is essential in many applications involving physical processes, such as manufacturing monitoring and astrophysical event detection. In these settings, predictive models must remain reliable under noise, variability, and measurement uncertainty while capturing temporally localized structures corresponding to physically meaningful events. Convolutional neural networks (CNNs) are widely used for such tasks due to their computational efficiency and strong representational capacity. However, their learned temporal representations often exhibit unstable or physically inconsistent attention patterns, reducing robustness, generalization, and interpretability. This paper introduces PhysAttNet, a physics-informed attention framework for time series forecasting. PhysAttNet augments a lightweight CNN forecaster with an attention head guided by domain-informed regularization reflecting the structural properties of physical signals. Specifically, three complementary constraints are imposed during training: an alignment regularization that encourages attention to follow smooth, peak-centered temporal structures derived from the input signal, a smoothness regularization that enforces continuous temporal evolution, and a sparsity regularization that promotes selective focus on informative intervals. These differentiable regularization terms introduce physics-guided inductive bias without requiring annotated explanations or manual supervision. Experiments on two distinct applications, namely predicting cutting forces during milling and forecasting flares in blazar time series, demonstrate that PhysAttNet improves forecasting accuracy, generalization, and prediction performance on structurally important events.

Strong Gravitational Lensing Posterior Sampling in Pixel-Space Using Diffusion Models and Recurrent Inference Machines

Modeling galaxy-galaxy strong gravitational lenses to infer the brightness of the source galaxy and the mass distribution of the foreground galaxy is computationally challenging, particularly for high-resolution, high signal-to-noise ratio observations. In this regime, high-dimensional representations of both the source and the foreground mass distribution are necessary to model the data down to the noise level. This inference problem has been challenging for both traditional and machine learning-based methods because of its high dimensionality and its non-linearity in the foreground mass distribution. We present a method to generate joint posterior samples of the source galaxy and foreground mass distribution as pixelated images conditioned on observations. The method combines diffusion-based generative modeling and recurrent inference machines. It can model realistic gravitational lensing simulations with background and foreground galaxies drawn from cosmological hydrodynamical simulations down to the noise level.

FUSE: FK-Steered Multi-Modal Flow Matching for Efficient Simulation-Based Posterior Estimation

Simulation-Based Inference (SBI) is critical for scientific discovery, with generative models offering a promising path toward efficient inference. However, existing methods struggle with effective multimodal modeling. They often rely on brute-force fusion strategies that ignore the structural disparities between parameters and observations, thus limiting estimation fidelity. In this work, we introduce FUSE (Feynman-Kac steered mUlti-modal flow matching for efficient Simulation-based posterior Estimation). Unlike prior work, FUSE employs a dual-track architecture that preserves the distinct features of multimodal inputs while facilitating dynamic interaction. Additionally, we propose an FK-steered sampling strategy that leverages intermediate observation likelihoods to guide the generative trajectories, effectively improving the sample quality during inference. Our approach outperforms state-of-the-art baselines on standard SBI benchmarks, producing posteriors that closely match ground-truth MCMC. Furthermore, in a real-world exoplanet orbital estimation task, FUSE successfully resolves complex parameter degeneracies that challenge existing methods, highlighting its potential to accelerate complex scientific discoveries in astrophysics and beyond.

ReLaTS: a Reinforcement Learning-based method for dynamically determining the coupling Time Step in multi-scale simulations of self-gravitating systems

Astrophysical simulations frequently address multi-scale, multi-physics problems through subsystem decomposition, problem-tailored integration schemes, and coupling on fixed manually set timescales. Here we introduce ReLaTS, a reinforcement learning framework that dynamically selects the coupling time step to optimize the trade-off between accuracy and computational cost. We validate ReLaTS on star clusters containing a planetary system, and test the method by varying the number of stars $N_\star$ in the cluster and the number of planets ($N_{\rm planet}$) orbiting one of them. The method finds the optimal coupling time step that balances speed and accuracy without requiring expert knowledge. In addition, the trained network operates independently of the coupled \textit{N}-body algorithms, displaying stable performance across a range of setups. We observe that the method is less reliable for cases with infinitesimal masses, as their contribution to the total energy is negligible compared to that of the massive bodies, and the network is not capable of recognizing potential errors generated while integrating them. For long-time integration of large $N$ systems, the error accumulates. The reinforcement learning algorithm, however, manages to keep the energy error below a pre-set threshold. This approach substantially reduces energy errors relative to fixed-time step baselines without substantial additional computational overhead. Once trained, ReLaTS requires no expert tuning and generalizes across diverse astrophysical domains, enabling adaptive multi-scale simulations.

Time Series Analysis in Machine Learning

Time series analysis is a fundamental component of machine learning, especially in astrophysics and cosmology where temporal data abound. This chapter provides a pedagogical review of time series analysis techniques from a machine learning perspective. We cover the basic concepts of time series (stationarity, autocorrelation, seasonality), classical statistical models (autoregressive, moving average, ARIMA, exponential smoothing, state-space models), and modern machine learning approaches. In particular, we discuss how traditional statistical methods lay the groundwork, and then explore machine learning methods for time series, including feature-based regression, tree-based ensemble methods, hidden Markov models, Gaussian processes, and deep learning models (recurrent neural networks, convolutional networks, transformers). Throughout, we illustrate with examples drawn from multiple domains (e.g. astronomy, weather forecasting, finance) to emphasize common principles. The goal is to equip readers with both the theoretical understanding and practical context to apply machine learning techniques for time series analysis in their research.

Multimodal Transformer Based Generic Mixture Density Network for Scattering Timescale Estimation of Fast Radio Bursts

The discovery rate of fast radio bursts (FRBs) continues to increase with the advent of new radio facilities and yet extracting their astrophysical parameters such as scattering timescale ($τ$) remains a significant bottleneck. Current $τ$ measurement approaches like fitting analytic template models and scattering aware de-convolution are accurate but slow, sensitive to initialization, limited by low signal to noise and often require manual supervision. These limitations inspired us to explore fast, robust and scalable machine learning methods to estimate the astrophysical parameter value. We present a deep learning approach named Multimodal Transformer Based Generic Mixture Density Network (MT-GMDN) which ingests FRB dynamic spectrum and its corresponding timeseries profile through parallel transformer encoders, fuses their latent representations and predicts the distribution of $τ$ with probabilistic output derived from generic mixture-density formulation. This formulation not only estimates the value of $τ$ but also captures the (zero inflated) nature of FRB populations where a significant fraction of bursts exhibit unresolvable scattering. We trained MT-GMDN on $\sim3500$ FRBs from CHIME/FRB \cattwo while holding out some fraction of FRBs for validation during training and for testing after the training completes. The model achieves a coefficient of determination ($R^2$) value of $94\%$ on the expected value of $τ$ for the events with measurable scattering with an excellent recall value of $90\%$ on the test data set. The model was also able to incorporate heteroskedastic errors enabling us the construction of a confidence interval for the predictions.

Confirmation of Binary Clustering in Gamma-Ray Bursts through an Integrated $p$-value from Multiple Nonparametric Tests of Hypotheses

The paper applies a new, nonparametric, interpoint distance-based measure to confirm the inherent groups prevailing in the brightest source of light in the universe: gamma-ray bursts. Our effective metric, in association with clustering methods like Gaussian-mixture model-based and $K$-means algorithms, resolves the conflict regarding the possibility about existence of more than binary clusters in the gamma-ray burst population. Here we carry out multiple nonparametric statistical tests of hypotheses, as many as the number of bursts available from the `BATSE' catalog. An integrated $p$-value achieved from the aforesaid dependent tests solves our concern confirming two groups of short and long bursts.

Plausible but Wrong: A case study on Agentic Failures in Astrophysical Workflows

Agentic AI systems are increasingly being integrated into scientific workflows, yet their behavior under realistic conditions remains insufficiently understood. We evaluate CMBAgent across two workflow paradigms and eighteen astrophysical tasks. In the One-Shot setting, access to domain-specific context yields an approximately ~6x performance improvement (0.85 vs. ~0 without context), with the primary failure mode being silent incorrect computation - syntactically valid code that produces plausible but inaccurate results. In the Deep Research setting, the system frequently exhibits silent failures across stress tests, producing physically inconsistent posteriors without self-diagnosis. Overall, performance is strong on well-specified tasks but degrades on problems designed to probe reasoning limits, often without visible error signals. These findings highlight that the most concerning failure mode in agentic scientific workflows is not overt failure, but confident generation of incorrect results. We release our evaluation framework to facilitate systematic reliability analysis of scientific AI agents.