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Numerical models of PDRs are computationally expensive since the modeling of these changing regions requires resolving the thermal balance and chemical composition along a line-of-sight into an interstellar cloud. This often makes it a bottleneck for 3D simulations of these regions. In this work, we provide a dataset of 8192 models with different initial conditions simulated with 3D-PDR. We then benchmark different architectures, focusing on Augmented Neural Ordinary Differential Equation (ANODE) based models (Code be found at https://github.com/uclchem/neuralpdr). Obtaining fast and robust emulators that can be included as preconditioners of classical codes or full emulators into 3D simulations of PDRs.","url_abs":"https://arxiv.org/abs/2412.00758v1","url_pdf":"https://arxiv.org/pdf/2412.00758v1.pdf","source":{"archive":"pwc-archive (Hugging Face), CC BY-SA 4.0","snapshot":"2025-07-28","licence_url":"https://creativecommons.org/licenses/by-sa/4.0/legalcode","row_kind":"abstracts"},"code_links":[{"paper_slug":"3d-pdr-orion-dataset-and-neuralpdr-neural","repo_url":"https://github.com/uclchem/neuralpdr","is_official":1,"mentioned_in_paper":1,"mentioned_in_github":1,"framework":"jax","reach":{"status":"ok"}}],"tasks":[],"methods":[],"datasets_introduced":[],"methods_introduced":[],"results":[],"syntology":{"syntology_url":"https://syntology.ai/paper/2412.00758","atlas_url":"https://app.syntology.ai/?focus=2412.00758","mcp":{"get_harvested_code_for_paper":{"arxiv_id":"2412.00758"}},"developers":"https://syntology.ai/developers","read_at":"2026-09-25T09:33:49+00:00","read_at_is":"when the build read Syntology's graph, not when any sample ran","claim":"Per-sample execution status on synthesized fixtures; not a correctness claim about the paper. 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