Isaac Malsky, Xi Zhang, Tiffany Kataria +5astro-ph.EP cs.LG
Observations increasingly reveal the coupled radiative, chemical, and dynamical processes that shape exoplanet atmospheres. Interpreting these atmospheres requires models that can capture this complexity. However, multidimensional models remain fundamentally limited by computational cost, and answering key questions requires simulating the governing physical mechanisms at speeds classical methods cannot achieve. As a result, models often rely on simplifying approximations, such as equilibrium chemistry, even when those assumptions miss important effects. There is a pressing need for fast and accurate chemical kinetics solvers to model planetary atmospheres. Here we present a machine learning local-box chemical kinetics solver for exoplanet atmospheres using a residual flow-map architecture. We demonstrate that this surrogate model is several orders of magnitude faster than a classical solver, achieving microsecond-scale inference while retaining percent-level accuracy. The surrogate model covers a parameter space that spans $T=300$-$3000$ K, $P=10^{-6}$-$10^{4}$ bar, $Δt=10^{-3}$-$10^{8}$ s, and compositions ranging from $10^{-2}$ to $10^{3}$ times solar in both C/O ratio and metallicity. Our model outperforms several commonly used machine learning architectures and performs robustly under the extreme stiffness characteristic of atmospheric chemistry. The machine learning framework presented here is a flexible and efficient approach to emulating state-to-state flow-map problems that commonly arise in numerical simulations.
Current AI systems are optimized for answering questions; the scientific enterprise is bottlenecked earlier, at discovering the questions worth investigating. We present a framework that turns a traceable, reproducible, scope controlled research corpus into ranked, falsifiable research questions: evidence is represented as provenance carrying claims; cross paper tensions are detected, typed, and human adjudicated; surviving signals are refined into questions and ranked by a two stage protocol separating scientific priority from execution priority. We instantiate the framework on exoplanet atmospheres, a domain that uniquely combines literature, structured catalogs, and space telescope archives. In a historical backtest, all questions generated from evidence available before 2021 were substantively engaged by the 2021 to 2026 literature the sys?tem never saw: two were answered, including one whose premise the community later explicitly refuted and the top ranked question is independently posed and still open. These results sug?gest that systematic question discovery from evidence tensions surfaces the questions working scientists subsequently invest in.