From eaf60ac252353969fc70f852723740ac0a63525e Mon Sep 17 00:00:00 2001 From: Roman Date: Fri, 5 Dec 2025 12:05:50 +0100 Subject: [PATCH 01/21] draft paper, first version --- joss_data/paper.bib | 131 ++++++++++++++++++++++++++++++++++++++++++++ joss_data/paper.md | 76 +++++++++++++++++++++++++ 2 files changed, 207 insertions(+) create mode 100644 joss_data/paper.bib create mode 100644 joss_data/paper.md diff --git a/joss_data/paper.bib b/joss_data/paper.bib new file mode 100644 index 0000000..c9cd088 --- /dev/null +++ b/joss_data/paper.bib @@ -0,0 +1,131 @@ +@misc{OrbFit, + title = {OrbFit: Astrometric orbit determination software}, + author = {Milani, A. and Gronchi, G. F. and others}, + howpublished = {Software package}, + url = {https://adams.dm.unipi.it/orbfit/}, + note = {Accessed: 2025-12-05} +} + +@misc{MPC80col, + title = {Minor Planet Center Optical Observations: 80-column format}, + author = {Minor Planet Center}, + howpublished = {Web page}, + url = {https://minorplanetcenter.net/iau/info/OpticalObs.html}, + note = {Accessed: 2025-12-05} +} + +@misc{ADES, + title = {Astrometric Data Exchange Standard (ADES)}, + author = {IAU Minor Planet Center}, + howpublished = {Web page}, + url = {https://minorplanetcenter.net/iau/info/ADES.html}, + note = {Accessed: 2025-12-05} +} + +@article{DE440, + author = {Park, R. S. and Folkner, W. M. and Jacobson, R. A. and others}, + title = {The {JPL} Planetary and Lunar Ephemerides {DE440} and {DE441}}, + journal = {The Astronomical Journal}, + year = {2021}, + volume = {161}, + number = {3}, + pages = {105}, + doi = {10.3847/1538-3881/abd414} +} + +@misc{NAIF, + author = {Acton, C. H. and {NAIF/NASA JPL}}, + title = {Navigation and Ancillary Information Facility (SPICE)}, + howpublished = {Web page}, + url = {https://naif.jpl.nasa.gov/naif/}, + note = {Accessed: 2025-12-05} +} + +@article{Arrow, + author = {P. E. {Apache Arrow Project}}, + title = {Apache Arrow: A Cross-Language Development Platform for In-Memory Data}, + journal = {Data Engineering}, + year = {2017}, + note = {Project documentation: https://arrow.apache.org/} +} + +@misc{Parquet, + author = {{Apache Parquet Project}}, + title = {Apache Parquet}, + howpublished = {Project page}, + url = {https://parquet.apache.org/}, + note = {Accessed: 2025-12-05} +} + +@misc{rust, + author = {{Rust Project}}, + title = {The Rust Programming Language}, + howpublished = {Official website}, + url = {https://www.rust-lang.org/}, + note = {Accessed: 2025-12-05} +} + +@misc{nalgebra, + author = {Crozet, S. and Dimforge Contributors}, + title = {nalgebra: Linear algebra library for Rust}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/nalgebra}, + note = {Accessed: 2025-12-05} +} + +@misc{hifitime, + author = {Christopher Rabotin}, + title = {hifitime: High-Fidelity Time library for Rust}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/hifitime}, + note = {Accessed: 2025-12-05} +} + +@misc{rayon, + author = {N. Matsakis and {Rayon Contributors}}, + title = {Rayon: Data Parallelism in Rust}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/rayon}, + note = {Accessed: 2025-12-05} +} + +@misc{Aberth, + author = {ickk and contributors}, + title = {aberth: Aberth–Ehrlich polynomial root-finding in Rust}, + howpublished = {GitHub repository}, + url = {https://github.com/ickk/aberth}, + note = {Accessed: 2025-12-05} +} + +@misc{indicatif, + author = {F. {Indicatif Contributors}}, + title = {indicatif: Progress bars for Rust}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/indicatif}, + note = {Accessed: 2025-12-05} +} + +@misc{comfytable, + author = {{comfy-table Contributors}}, + title = {comfy-table: Table formatting for Rust}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/comfy-table}, + note = {Accessed: 2025-12-05} +} + +@misc{SemVer, + author = {Preston-Werner, T.}, + title = {Semantic Versioning 2.0.0}, + howpublished = {Specification}, + url = {https://semver.org/}, + note = {Accessed: 2025-12-05} +} + +@misc{KeepAChangelog, + author = {Oliveira, O. and others}, + title = {Keep a Changelog}, + howpublished = {Project page}, + url = {https://keepachangelog.com/en/1.0.0/}, + note = {Accessed: 2025-12-05} +} + diff --git a/joss_data/paper.md b/joss_data/paper.md new file mode 100644 index 0000000..bfcc613 --- /dev/null +++ b/joss_data/paper.md @@ -0,0 +1,76 @@ +--- +title: "Outfit: a fast, safe Rust library for astrometric observations and preliminary orbit determination" +tags: + - Rust + - astronomy + - orbit determination + - astrometry + - ephemerides +authors: + - name: Roman Le Montagner + orcid: 0000-0002-7390-0919 + affiliation: "1" +affiliations: + - index: 1 + name: IJCLab (CNRS/IN2P3), Université Paris-Saclay, France +date: 5 December 2025 +bibliography: paper.bib +--- + +# Summary + +Outfit is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using a robust implementation of the Gauss method. It provides high-throughput ingestion of common formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasizes speed, memory safety, reproducibility, and modular design: observation parsing and trajectory batching are decoupled from initial orbit determination (IOD) logic, and all public APIs are documented and tested. Outfit re-implements classic OrbFit IOD behavior in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). + +# Statement of need + +Astrometric pipelines for near-Earth and small-body surveys must ingest heterogeneous observation formats, manage observers, and determine preliminary orbits efficiently and reproducibly. Existing tools (e.g., OrbFit [@OrbFit]) are widely used and trusted, but often expose monolithic interfaces and legacy implementations that are harder to embed in data-intensive workflows. Outfit fills this gap by offering: + +- A memory-safe, high-performance core implemented in Rust. +- Unified I/O across MPC 80-column [@MPC80col] and ADES XML [@ADES] with a columnar option (Parquet/Arrow [@Arrow; @Parquet]) for large batches. +- Explicit observer handling with MPC codes and topocentric geometry. +- Deterministic Gauss IOD with controlled numerical behavior and explicit error types. +- Clean integration with JPL ephemerides (DE series) [@DE440; @NAIF] for accurate state propagation. + +This combination enables reproducible, scalable preliminary orbit determination and downstream evaluation (RMS of normalized residuals) within modern data processing stacks. Outfit is intended for researchers building survey pipelines, teaching orbit determination, or benchmarking algorithmic variants on large datasets. + +# Software description + +## Functionality + +Outfit provides: + +- Observation parsers: MPC 80-column, ADES XML, and Parquet. +- Trajectory batching utilities and adaptive batch APIs for large sets. +- Gauss IOD on triplets with acceptability filters and Lagrange coefficient refinement. +- Observer management (MPC codes, geodetic/geocentric geometry) and pretty-printing utilities. +- Ephemeris integration via JPL (DE440 and similar) with optional automatic download. +- Display helpers for compact/wide/ISO tables of observations. + +## Architecture + +The crate is organized into modules reflecting responsibilities: `observations` (parsers, types), `trajectories` (batch readers, fit helpers), `initial_orbit_determination` (Gauss method), `observers` (MPC observatories, geometry), `jpl_ephem` (horizon/NAIF interfaces), and `orbit_type` (keplerian/equinoctial/cometary elements). Public APIs prefer explicit types and error handling (`OutfitError`). Performance-critical routines use `nalgebra` for vector math [@nalgebra] and optional parallelism via `rayon` [@rayon]. Columnar ingestion relies on Arrow/Parquet [@Arrow; @Parquet]. Time handling uses `hifitime` [@hifitime] for TT/UTC conversions and Earth orientation utilities. + +## Quality, documentation, and testing + +Outfit includes unit tests and integration tests covering parsing (MPC/ADES/Parquet), observer handling, Gauss IOD numerical behavior, and trajectory batching (see `tests/`). Examples in `examples/` demonstrate end-to-end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs and the README provides installation, quick-start, feature flags, and performance notes. + +## Performance and reproducibility + +Rust enables predictable performance and memory safety. For survey-scale workloads, Outfit offers Parquet ingestion and optional parallel Gauss IOD (`--features parallel`) with adaptive batch sizing. Numeric stability is enforced via explicit acceptability checks and non-finite score detection. Determinism is promoted through clear random seeding paths and ordered iteration for reporting. + +# Demonstration + +The crate ships runnable examples demonstrating observation ingestion and Gauss IOD. For instance, running the Parquet example with automatic ephemeris download: + +```bash +cargo run --release --example parquet_to_orbit --features "jpl-download" +``` + +Illustrative outputs include orbital elements and RMS of normalized residuals, and optional progress reporting (`--features progress`). Examples are documented in the README and serve as minimal, reproducible entry points for reviewers to validate functionality locally as per JOSS guidelines. + +# Acknowledgements + +We acknowledge the maintainers of OrbFit for foundational work in preliminary orbit determination, the JPL Horizons/NAIF teams for ephemerides and kernels, and contributors and users who provided feedback on API ergonomics and tests. Development benefited from the Rust ecosystem and libraries cited below. + +# References + From f92bd81347c086cd8c707c7927b62ce12db16b05 Mon Sep 17 00:00:00 2001 From: Roman Date: Mon, 8 Dec 2025 10:31:48 +0100 Subject: [PATCH 02/21] draft v1.1 --- joss_data/paper.md | 16 +++++++++++----- 1 file changed, 11 insertions(+), 5 deletions(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index bfcc613..7ab6ceb 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -8,7 +8,7 @@ tags: - ephemerides authors: - name: Roman Le Montagner - orcid: 0000-0002-7390-0919 + orcid: 0000-0002-6099-8939 affiliation: "1" affiliations: - index: 1 @@ -19,7 +19,9 @@ bibliography: paper.bib # Summary -Outfit is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using a robust implementation of the Gauss method. It provides high-throughput ingestion of common formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasizes speed, memory safety, reproducibility, and modular design: observation parsing and trajectory batching are decoupled from initial orbit determination (IOD) logic, and all public APIs are documented and tested. Outfit re-implements classic OrbFit IOD behavior in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). +Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory’s LSST—are expected to increase the number of known minor planets by an order of magnitude. Processing these data streams requires software that can parse heterogeneous astrometric formats, manage topocentric geometry, and compute preliminary orbits quickly and reproducibly. + +Outfit is a modern Rust library providing fast and memory-safe astrometric ingestion and preliminary orbit determination (POD) based on a re-implementation of the classical Gauss method. It supports high-throughput parsing of MPC 80-column, ADES XML, and Arrow/Parquet formats, explicit observer modelling, and accurate state propagation using JPL ephemerides (DE440 and others). The library emphasizes performance, reproducibility, and modularity, separating observation ingestion, geometry handling, and POD logic. Its design closely mirrors the trusted behavior of OrbFit while offering a fully documented, testable, production-grade API suitable for LSST/ZTF-scale workloads. # Statement of need @@ -29,7 +31,9 @@ Astrometric pipelines for near-Earth and small-body surveys must ingest heteroge - Unified I/O across MPC 80-column [@MPC80col] and ADES XML [@ADES] with a columnar option (Parquet/Arrow [@Arrow; @Parquet]) for large batches. - Explicit observer handling with MPC codes and topocentric geometry. - Deterministic Gauss IOD with controlled numerical behavior and explicit error types. -- Clean integration with JPL ephemerides (DE series) [@DE440; @NAIF] for accurate state propagation. +- Clean integration with JPL ephemerides (DE series) [@DE440; @NAIF] for accurate state propagation +- Accurate time-scale handling via `hifitime` [@hifitime]. +- Optional parallel computation for Gauss IOD (`--features parallel`) to scale across large batches. This combination enables reproducible, scalable preliminary orbit determination and downstream evaluation (RMS of normalized residuals) within modern data processing stacks. Outfit is intended for researchers building survey pipelines, teaching orbit determination, or benchmarking algorithmic variants on large datasets. @@ -52,11 +56,13 @@ The crate is organized into modules reflecting responsibilities: `observations` ## Quality, documentation, and testing -Outfit includes unit tests and integration tests covering parsing (MPC/ADES/Parquet), observer handling, Gauss IOD numerical behavior, and trajectory batching (see `tests/`). Examples in `examples/` demonstrate end-to-end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs and the README provides installation, quick-start, feature flags, and performance notes. +Outfit includes unit tests and integration tests covering parsing (MPC/ADES/Parquet), observer handling, Gauss IOD numerical behavior, and trajectory batching (see `tests/`). In addition, we use property‑based testing (via `proptest`) to stress numerical invariants and edge cases over wide parameter ranges, improving robustness beyond hand‑crafted cases. For accuracy, we run regression tests on real observation datasets and compare against OrbFit outputs [@OrbFit]: notably the objects 2015AB, 8467, and 33803 are validated with MPC 80‑column inputs (see `tests/data/` and `orbfit_tests/`). + +Software quality is enforced through continuous integration (CI): we run automatic tests on each change, track code coverage, and perform semantic‑versioning checks (e.g., `semver` compatibility) to ensure API stability across releases. Version history is maintained via git with a clear changelog and tagged releases; this structured release process is not available in OrbFit’s upstream distribution. Examples in `examples/` demonstrate end‑to‑end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs and the README provides installation, quick‑start, feature flags (including `parallel`), and performance notes. ## Performance and reproducibility -Rust enables predictable performance and memory safety. For survey-scale workloads, Outfit offers Parquet ingestion and optional parallel Gauss IOD (`--features parallel`) with adaptive batch sizing. Numeric stability is enforced via explicit acceptability checks and non-finite score detection. Determinism is promoted through clear random seeding paths and ordered iteration for reporting. + Rust enables predictable performance and memory safety. For survey-scale workloads, Outfit offers Parquet ingestion and optional parallel Gauss IOD (`--features parallel`) with a configurable batch size set via `IODParams.batch_size`. Numeric stability is enforced via explicit acceptability checks and non-finite score detection. Determinism is promoted through clear random seeding paths and ordered iteration for reporting. # Demonstration From 7838fa806d6c983c3c2e9f8a7554c2b013dbbab5 Mon Sep 17 00:00:00 2001 From: Roman Date: Mon, 8 Dec 2025 10:32:06 +0100 Subject: [PATCH 03/21] draft v1.1.1 --- joss_data/paper.md | 4 +--- 1 file changed, 1 insertion(+), 3 deletions(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index 7ab6ceb..596d8dc 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -19,9 +19,7 @@ bibliography: paper.bib # Summary -Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory’s LSST—are expected to increase the number of known minor planets by an order of magnitude. Processing these data streams requires software that can parse heterogeneous astrometric formats, manage topocentric geometry, and compute preliminary orbits quickly and reproducibly. - -Outfit is a modern Rust library providing fast and memory-safe astrometric ingestion and preliminary orbit determination (POD) based on a re-implementation of the classical Gauss method. It supports high-throughput parsing of MPC 80-column, ADES XML, and Arrow/Parquet formats, explicit observer modelling, and accurate state propagation using JPL ephemerides (DE440 and others). The library emphasizes performance, reproducibility, and modularity, separating observation ingestion, geometry handling, and POD logic. Its design closely mirrors the trusted behavior of OrbFit while offering a fully documented, testable, production-grade API suitable for LSST/ZTF-scale workloads. +Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST)—are expected to increase the number of known small Solar System bodies by an order of magnitude. This scale demands efficient, robust algorithms that can derive preliminary orbits quickly and reproducibly from large, heterogeneous datasets. Outfit is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using an implementation of the Gauss method. It provides high-throughput ingestion of common formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasizes speed, memory safety, reproducibility, and modular design: observation parsing and trajectory batching are decoupled from initial orbit determination (IOD) logic, and all public APIs are documented and tested. Outfit re-implements classic OrbFit IOD behavior in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). # Statement of need From 89b87b8e47f3f85bcce55230e16090902e78af28 Mon Sep 17 00:00:00 2001 From: Roman Date: Mon, 8 Dec 2025 11:06:25 +0100 Subject: [PATCH 04/21] draft v2 --- joss_data/paper.md | 43 ++++++++++++++++++++++++++++++++++++++++--- 1 file changed, 40 insertions(+), 3 deletions(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index 596d8dc..c60ac15 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -19,7 +19,9 @@ bibliography: paper.bib # Summary -Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST)—are expected to increase the number of known small Solar System bodies by an order of magnitude. This scale demands efficient, robust algorithms that can derive preliminary orbits quickly and reproducibly from large, heterogeneous datasets. Outfit is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using an implementation of the Gauss method. It provides high-throughput ingestion of common formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasizes speed, memory safety, reproducibility, and modular design: observation parsing and trajectory batching are decoupled from initial orbit determination (IOD) logic, and all public APIs are documented and tested. Outfit re-implements classic OrbFit IOD behavior in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). +Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST)—are expected to increase the number of known small Solar System bodies by an order of magnitude. This scale demands efficient, robust algorithms that can derive preliminary orbits quickly and reproducibly from large, heterogeneous datasets. + +**Outfit** is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using an implementation of the Gauss method. It provides high-throughput ingestion of common formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasizes speed, memory safety, reproducibility, and modular design: observation parsing and trajectory batching are decoupled from initial orbit determination (IOD) logic, and all public APIs are documented and tested. Outfit re-implements classic OrbFit IOD behavior in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). # Statement of need @@ -50,18 +52,38 @@ Outfit provides: ## Architecture -The crate is organized into modules reflecting responsibilities: `observations` (parsers, types), `trajectories` (batch readers, fit helpers), `initial_orbit_determination` (Gauss method), `observers` (MPC observatories, geometry), `jpl_ephem` (horizon/NAIF interfaces), and `orbit_type` (keplerian/equinoctial/cometary elements). Public APIs prefer explicit types and error handling (`OutfitError`). Performance-critical routines use `nalgebra` for vector math [@nalgebra] and optional parallelism via `rayon` [@rayon]. Columnar ingestion relies on Arrow/Parquet [@Arrow; @Parquet]. Time handling uses `hifitime` [@hifitime] for TT/UTC conversions and Earth orientation utilities. +The crate is organized into focused modules with clear responsibilities: + +- observations — parsing MPC/ADES/Parquet, data validation, time-scale normalization. + +- observers — MPC observatory codes, geodetic conversion, topocentric geometry. + +- initial_orbit_determination — Gauss method, Lagrange coefficient iteration, acceptability filters, error reporting. + +- trajectories — batching, grouping, and utilities for large candidate sets. + +- jpl_ephem — DE ephemeris access (local kernels or automatic download). + +- orbit_type — Keplerian, equinoctial, and cometary elements with conversions. + +The public API favors explicit types, immutable inputs where possible, and strongly typed time and angle units. Performance-critical routines rely on nalgebra, while parallelism is opt-in via a crate feature. Columnar ingestion uses Arrow/Parquet to support HPC and distributed workflows. ## Quality, documentation, and testing Outfit includes unit tests and integration tests covering parsing (MPC/ADES/Parquet), observer handling, Gauss IOD numerical behavior, and trajectory batching (see `tests/`). In addition, we use property‑based testing (via `proptest`) to stress numerical invariants and edge cases over wide parameter ranges, improving robustness beyond hand‑crafted cases. For accuracy, we run regression tests on real observation datasets and compare against OrbFit outputs [@OrbFit]: notably the objects 2015AB, 8467, and 33803 are validated with MPC 80‑column inputs (see `tests/data/` and `orbfit_tests/`). -Software quality is enforced through continuous integration (CI): we run automatic tests on each change, track code coverage, and perform semantic‑versioning checks (e.g., `semver` compatibility) to ensure API stability across releases. Version history is maintained via git with a clear changelog and tagged releases; this structured release process is not available in OrbFit’s upstream distribution. Examples in `examples/` demonstrate end‑to‑end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs and the README provides installation, quick‑start, feature flags (including `parallel`), and performance notes. +Software quality is enforced through continuous integration (CI): we run automatic tests on each change, track code coverage, and perform semantic‑versioning checks (e.g., `semver` compatibility) to ensure API stability across releases. Version history is maintained via git with a clear changelog and tagged releases; this structured release process is not available in OrbFit’s upstream distribution. Examples in `examples/` demonstrate end‑to‑end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs and the README provides installation, quick‑start, feature flags (including `parallel`), and performance notes. Outfit is available on crates.io for easy installation and inclusion in other Rust projects via Cargo’s dependency system. ## Performance and reproducibility Rust enables predictable performance and memory safety. For survey-scale workloads, Outfit offers Parquet ingestion and optional parallel Gauss IOD (`--features parallel`) with a configurable batch size set via `IODParams.batch_size`. Numeric stability is enforced via explicit acceptability checks and non-finite score detection. Determinism is promoted through clear random seeding paths and ordered iteration for reporting. +## Python bindings (pyOutfit) + +Outfit is also exposed to Python via pyOutfit, a binding built with PyO3 and distributed with maturin: https://github.com/FusRoman/pyOutfit. It provides a thin, idiomatic Python interface to the Rust core (parsing MPC/ADES/Parquet, observer handling, and Gauss IOD), enabling integration in notebooks and Python pipelines. The binding is available on PyPI and ships precompiled Rust manylinux wheels for Python 3.10, 3.11, and 3.12. + +Project documentation is published on GitHub Pages using MkDocs Material, and the public API is type‑annotated via .pyi stub files to improve IDE completion and static type checking. Examples mirror the Rust examples to ease cross‑language adoption. The package includes a test suite, and the documentation examples are sourced from Python files and executed automatically in continuous integration to keep the documentation accurate and up to date. + # Demonstration The crate ships runnable examples demonstrating observation ingestion and Gauss IOD. For instance, running the Parquet example with automatic ephemeris download: @@ -72,6 +94,21 @@ cargo run --release --example parquet_to_orbit --features "jpl-download" Illustrative outputs include orbital elements and RMS of normalized residuals, and optional progress reporting (`--features progress`). Examples are documented in the README and serve as minimal, reproducible entry points for reviewers to validate functionality locally as per JOSS guidelines. +# Limitation and futur work + +Current limitations: +- Initial orbit determination is limited to the Gauss method on optical astrometry; no radar/radio observables are supported yet. +- No full least-squares refinement (differential corrections), hence no formal covariance or robust uncertainty quantification. +- Hyperbolic trajectories are not yet supported in fitting, limiting interstellar object handling. +- Efficient ephemerides generation from estimated orbits (initial or refined) is not yet exposed as a high-level API. + +Planned work: +- Add full orbital estimation via a least-squares method (as in OrbFit), including covariance output and convergence diagnostics. +- Add an alternative initial orbit method (Vaisala/Väisälä) to complement Gauss. +- Add support for hyperbolic orbits to fit interstellar candidates (e.g., 1I/‘Oumuamua, 2I/Borisov, 3I/ATLAS). +- Add efficient ephemerides computation from estimated orbits (initial or full) for prediction and residual analysis. +- Add support for radio/radar observations (e.g., delay and Doppler), alongside optical astrometry. + # Acknowledgements We acknowledge the maintainers of OrbFit for foundational work in preliminary orbit determination, the JPL Horizons/NAIF teams for ephemerides and kernels, and contributors and users who provided feedback on API ergonomics and tests. Development benefited from the Rust ecosystem and libraries cited below. 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From 4ef491c9e64ee47176e593ca017a5430b3971557 Mon Sep 17 00:00:00 2001 From: Roman Date: Mon, 8 Dec 2025 11:40:22 +0100 Subject: [PATCH 06/21] improve the architecture section and add a github action to compile the paper --- .github/workflows/joss_pdf.yml | 33 +++++++++++++++++++++++++++++++++ joss_data/paper.md | 19 +++++++------------ 2 files changed, 40 insertions(+), 12 deletions(-) create mode 100644 .github/workflows/joss_pdf.yml diff --git a/.github/workflows/joss_pdf.yml b/.github/workflows/joss_pdf.yml new file mode 100644 index 0000000..b78decb --- /dev/null +++ b/.github/workflows/joss_pdf.yml @@ -0,0 +1,33 @@ +name: JOSS Draft PDF + +on: + push: + paths: + - joss_data/** + - .github/workflows/joss_pdf.yml + pull_request: + paths: + - joss_data/** + - .github/workflows/joss_pdf.yml + +jobs: + paper: + runs-on: ubuntu-latest + name: Build JOSS paper PDF + steps: + - name: Checkout repository + uses: actions/checkout@v4 + + - name: Build draft PDF + uses: openjournals/openjournals-draft-action@master + with: + journal: joss + # Path to the paper within the repo + paper-path: joss_data/paper.md + + - name: Upload compiled PDF artifact + uses: actions/upload-artifact@v4 + with: + name: joss-paper + # Output path where Pandoc writes the compiled PDF + path: joss_data/paper.pdf \ No newline at end of file diff --git a/joss_data/paper.md b/joss_data/paper.md index 49c35f6..955a206 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -56,17 +56,12 @@ The crate is organized into focused modules with clear responsibilities: ![Outfit crate architecture overview.\label{fig:architecture}](outfit_architecture.png){ width=80% } -- observations — parsing MPC/ADES/Parquet, data validation, time-scale normalization. - -- observers — MPC observatory codes, geodetic conversion, topocentric geometry. - -- initial_orbit_determination — Gauss method, Lagrange coefficient iteration, acceptability filters, error reporting. - -- trajectories — batching, grouping, and utilities for large candidate sets. - -- jpl_ephem — DE ephemeris access (local kernels or automatic download). - -- orbit_type — Keplerian, equinoctial, and cometary elements with conversions. +- observations — parsing MPC/ADES/Parquet, data validation, time-scale normalization. It provides robust parsers for common formats, normalizes times to consistent scales, and validates fields and units to ensure inputs are well-formed before IOD. +- observers — MPC observatory codes, geodetic conversion, topocentric geometry. This module resolves MPC codes to observer locations, handles Earth models and coordinate conversions, and computes observer-centric vectors used in line-of-sight calculations. +- initial_orbit_determination — Gauss method, Lagrange coefficient iteration, acceptability filters, error reporting. It implements the Gauss triplet solver, refines f–g (Lagrange) coefficients iteratively, and applies numerical and geometric filters; all failures surface explicit, typed errors. +- trajectories — batching, grouping, and utilities for large candidate sets. It assembles observation triplets into candidate trajectories, supports adaptive batching for large datasets, and exposes helpers to evaluate and sort solutions. +- jpl_ephem — DE ephemeris access (local kernels or automatic download). Provides planetary states from JPL DE kernels with caching and optional automated download, ensuring accurate Sun/planet positions for IOD and propagation. +- orbit_type — Keplerian, equinoctial, and cometary elements with conversions. Offers element representations and conversions between common orbital parameterizations, plus formatting utilities for reporting and downstream analysis. The public API favors explicit types, immutable inputs where possible, and strongly typed time and angle units. Performance-critical routines rely on nalgebra, while parallelism is opt-in via a crate feature. Columnar ingestion uses Arrow/Parquet to support HPC and distributed workflows. @@ -94,7 +89,7 @@ The crate ships runnable examples demonstrating observation ingestion and Gauss cargo run --release --example parquet_to_orbit --features "jpl-download" ``` -Illustrative outputs include orbital elements and RMS of normalized residuals, and optional progress reporting (`--features progress`). Examples are documented in the README and serve as minimal, reproducible entry points for reviewers to validate functionality locally as per JOSS guidelines. +Illustrative outputs include orbital elements and RMS of normalized residuals, and optional progress reporting (`--features progress`). Examples are documented in the README and serve as minimal, reproducible entry points to validate functionality locally. # Limitation and futur work From 984fff65ab3eab7efd62b4274ae341dc04a4c894 Mon Sep 17 00:00:00 2001 From: Roman Date: Tue, 9 Dec 2025 11:35:31 +0100 Subject: [PATCH 07/21] fix some grammatical issue using grammarly and syntaxic problem in the markdown document --- joss_data/paper.md | 30 ++++++++++++++++-------------- 1 file changed, 16 insertions(+), 14 deletions(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index 955a206..d882c4f 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -19,23 +19,23 @@ bibliography: paper.bib # Summary -Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory’s Legacy Survey of Space and Time (LSST)—are expected to increase the number of known small Solar System bodies by an order of magnitude. This scale demands efficient, robust algorithms that can derive preliminary orbits quickly and reproducibly from large, heterogeneous datasets. +Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST)—are expected to increase the number of known small Solar System bodies by an order of magnitude. This scale requires efficient and robust algorithms that can derive preliminary orbits quickly and reproducibly from large, heterogeneous datasets. -**Outfit** is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using an implementation of the Gauss method. It provides high-throughput ingestion of common formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasizes speed, memory safety, reproducibility, and modular design: observation parsing and trajectory batching are decoupled from initial orbit determination (IOD) logic, and all public APIs are documented and tested. Outfit re-implements classic OrbFit IOD behavior in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). +**Outfit** is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using an implementation of the Gauss method. It provides high-throughput ingestion of standard formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasises speed, memory safety, reproducibility, and modular design. Observation parsing and trajectory batching are decoupled from the initial orbit determination (IOD) logic, and all public APIs are documented and thoroughly tested. Outfit re-implements classic OrbFit IOD behaviour in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). # Statement of need -Astrometric pipelines for near-Earth and small-body surveys must ingest heterogeneous observation formats, manage observers, and determine preliminary orbits efficiently and reproducibly. Existing tools (e.g., OrbFit [@OrbFit]) are widely used and trusted, but often expose monolithic interfaces and legacy implementations that are harder to embed in data-intensive workflows. Outfit fills this gap by offering: +Astrometric pipelines for near-Earth and small-body surveys must ingest heterogeneous observation formats, manage observers, and determine preliminary orbits efficiently and reproducibly. Existing tools (e.g., OrbFit [@OrbFit]) are widely used and trusted, but often expose monolithic interfaces and legacy implementations that are more difficult to integrate into data-intensive workflows. Outfit fills this gap by offering: - A memory-safe, high-performance core implemented in Rust. - Unified I/O across MPC 80-column [@MPC80col] and ADES XML [@ADES] with a columnar option (Parquet/Arrow [@Arrow; @Parquet]) for large batches. - Explicit observer handling with MPC codes and topocentric geometry. -- Deterministic Gauss IOD with controlled numerical behavior and explicit error types. +- Deterministic Gauss IOD with controlled numerical behaviour and explicit error types. - Clean integration with JPL ephemerides (DE series) [@DE440; @NAIF] for accurate state propagation - Accurate time-scale handling via `hifitime` [@hifitime]. - Optional parallel computation for Gauss IOD (`--features parallel`) to scale across large batches. -This combination enables reproducible, scalable preliminary orbit determination and downstream evaluation (RMS of normalized residuals) within modern data processing stacks. Outfit is intended for researchers building survey pipelines, teaching orbit determination, or benchmarking algorithmic variants on large datasets. +This combination enables reproducible, scalable preliminary orbit determination and downstream evaluation (RMS of normalised residuals) within modern data processing stacks. Outfit is intended for researchers building survey pipelines, teaching orbit determination, or benchmarking algorithmic variants on large datasets. # Software description @@ -52,24 +52,24 @@ Outfit provides: ## Architecture -The crate is organized into focused modules with clear responsibilities: +The crate is organised into focused modules with clear responsibilities: ![Outfit crate architecture overview.\label{fig:architecture}](outfit_architecture.png){ width=80% } -- observations — parsing MPC/ADES/Parquet, data validation, time-scale normalization. It provides robust parsers for common formats, normalizes times to consistent scales, and validates fields and units to ensure inputs are well-formed before IOD. +- observations — parsing MPC/ADES/Parquet, data validation, time-scale normalisation. It provides robust parsers for standard formats, normalises times to consistent scales, and validates fields and units to ensure inputs are well-formed before IOD. - observers — MPC observatory codes, geodetic conversion, topocentric geometry. This module resolves MPC codes to observer locations, handles Earth models and coordinate conversions, and computes observer-centric vectors used in line-of-sight calculations. - initial_orbit_determination — Gauss method, Lagrange coefficient iteration, acceptability filters, error reporting. It implements the Gauss triplet solver, refines f–g (Lagrange) coefficients iteratively, and applies numerical and geometric filters; all failures surface explicit, typed errors. - trajectories — batching, grouping, and utilities for large candidate sets. It assembles observation triplets into candidate trajectories, supports adaptive batching for large datasets, and exposes helpers to evaluate and sort solutions. - jpl_ephem — DE ephemeris access (local kernels or automatic download). Provides planetary states from JPL DE kernels with caching and optional automated download, ensuring accurate Sun/planet positions for IOD and propagation. -- orbit_type — Keplerian, equinoctial, and cometary elements with conversions. Offers element representations and conversions between common orbital parameterizations, plus formatting utilities for reporting and downstream analysis. +- orbit_type — Keplerian, equinoctial, and cometary elements with conversions. Provides element representations and conversions between standard orbital parameterisations, along with formatting utilities for reporting and downstream analysis. -The public API favors explicit types, immutable inputs where possible, and strongly typed time and angle units. Performance-critical routines rely on nalgebra, while parallelism is opt-in via a crate feature. Columnar ingestion uses Arrow/Parquet to support HPC and distributed workflows. +The public API favours explicit types, immutable inputs where possible, and strongly typed time and angle units. Performance-critical routines rely on nalgebra, while parallelism is opt-in via a crate feature. Columnar ingestion uses Arrow/Parquet to support HPC and distributed workflows. ## Quality, documentation, and testing -Outfit includes unit tests and integration tests covering parsing (MPC/ADES/Parquet), observer handling, Gauss IOD numerical behavior, and trajectory batching (see `tests/`). In addition, we use property‑based testing (via `proptest`) to stress numerical invariants and edge cases over wide parameter ranges, improving robustness beyond hand‑crafted cases. For accuracy, we run regression tests on real observation datasets and compare against OrbFit outputs [@OrbFit]: notably the objects 2015AB, 8467, and 33803 are validated with MPC 80‑column inputs (see `tests/data/` and `orbfit_tests/`). +The Outfit package includes unit tests and integration tests that cover parsing (MPC/ADES/Parquet), observer handling, Gauss IOD numerical behaviour, and trajectory batching (see `tests/`). In addition, we use property-based testing (via `proptest`) to stress numerical invariants and edge cases across wide parameter ranges, thereby improving robustness beyond hand-crafted cases. For accuracy, we run regression tests on real observation datasets and compare the results against OrbFit outputs [@OrbFit]. Notably, the objects 2015AB, 8467, and 33803 are validated using MPC 80-column inputs (see `tests/data/` and `orbfit_tests/`). -Software quality is enforced through continuous integration (CI): we run automatic tests on each change, track code coverage, and perform semantic‑versioning checks (e.g., `semver` compatibility) to ensure API stability across releases. Version history is maintained via git with a clear changelog and tagged releases; this structured release process is not available in OrbFit’s upstream distribution. Examples in `examples/` demonstrate end‑to‑end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs and the README provides installation, quick‑start, feature flags (including `parallel`), and performance notes. Outfit is available on crates.io for easy installation and inclusion in other Rust projects via Cargo’s dependency system. +Software quality is enforced through continuous integration (CI): we run automated tests on each change, track code coverage, and perform semantic versioning checks (e.g., `semver` compatibility) to ensure API stability across releases. Version history is maintained via git with a clear changelog and tagged releases; this structured release process is not available in OrbFit's upstream distribution. Examples in `examples/` demonstrate end‑to‑end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs, and the README provides installation instructions, a quick start guide, feature flags (including `parallel`), and performance notes. Outfit is available on crates.io for easy installation and inclusion in other Rust projects via Cargo's dependency system. ## Performance and reproducibility @@ -89,20 +89,22 @@ The crate ships runnable examples demonstrating observation ingestion and Gauss cargo run --release --example parquet_to_orbit --features "jpl-download" ``` -Illustrative outputs include orbital elements and RMS of normalized residuals, and optional progress reporting (`--features progress`). Examples are documented in the README and serve as minimal, reproducible entry points to validate functionality locally. +Illustrative outputs include orbital elements and RMS of normalised residuals, and optional progress reporting (`--features progress`). Examples are documented in the README and serve as minimal, reproducible entry points to validate functionality locally. -# Limitation and futur work +# Limitations and future work Current limitations: + - Initial orbit determination is limited to the Gauss method on optical astrometry; no radar/radio observables are supported yet. - No full least-squares refinement (differential corrections), hence no formal covariance or robust uncertainty quantification. - Hyperbolic trajectories are not yet supported in fitting, limiting interstellar object handling. - Efficient ephemerides generation from estimated orbits (initial or refined) is not yet exposed as a high-level API. Planned work: + - Add full orbital estimation via a least-squares method (as in OrbFit), including covariance output and convergence diagnostics. - Add an alternative initial orbit method (Vaisala/Väisälä) to complement Gauss. -- Add support for hyperbolic orbits to fit interstellar candidates (e.g., 1I/‘Oumuamua, 2I/Borisov, 3I/ATLAS). +- Add support for hyperbolic orbits to fit interstellar candidates (e.g., 1I/'Oumuamua, 2I/Borisov, 3I/ATLAS). - Add efficient ephemerides computation from estimated orbits (initial or full) for prediction and residual analysis. - Add support for radio/radar observations (e.g., delay and Doppler), alongside optical astrometry. From 330bc1eb8a1043a9289352a366b31c54874c31f4 Mon Sep 17 00:00:00 2001 From: Roman Date: Tue, 9 Dec 2025 17:01:26 +0100 Subject: [PATCH 08/21] fix affiliation --- joss_data/paper.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index d882c4f..994a528 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -12,7 +12,7 @@ authors: affiliation: "1" affiliations: - index: 1 - name: IJCLab (CNRS/IN2P3), Université Paris-Saclay, France + name: Université Paris-Saclay, CNRS/IN2P3, IJCLab, 91405 Orsay, France date: 5 December 2025 bibliography: paper.bib --- From a22f50daf0dfe72cf4b846df3aaedebeb0cac99b Mon Sep 17 00:00:00 2001 From: Hadrien Grasland Date: Wed, 10 Dec 2025 11:21:38 +0100 Subject: [PATCH 09/21] Je m'ajoute en co-auteur --- joss_data/paper.md | 3 +++ 1 file changed, 3 insertions(+) diff --git a/joss_data/paper.md b/joss_data/paper.md index 994a528..7ef764f 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -10,6 +10,9 @@ authors: - name: Roman Le Montagner orcid: 0000-0002-6099-8939 affiliation: "1" + - name: Hadrien Grasland + orcid: 0000-0003-3379-7100 + affiliation: "1" affiliations: - index: 1 name: Université Paris-Saclay, CNRS/IN2P3, IJCLab, 91405 Orsay, France From ef3eadd37ff96981be40a01d9ceda09cc3ff9944 Mon Sep 17 00:00:00 2001 From: Roman Date: Wed, 10 Dec 2025 13:05:05 +0100 Subject: [PATCH 10/21] rephrase and improve summary and statement of need --- joss_data/paper.bib | 10 ++++++++++ joss_data/paper.md | 16 +++++----------- 2 files changed, 15 insertions(+), 11 deletions(-) diff --git a/joss_data/paper.bib b/joss_data/paper.bib index c9cd088..585cbfb 100644 --- a/joss_data/paper.bib +++ b/joss_data/paper.bib @@ -1,3 +1,13 @@ +@misc{rubinobservatorylsstsolarsystemsciencecollaboration2020scientificimpactverac, + title={The Scientific Impact of the Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) for Solar System Science}, + author={ Rubin Observatory LSST Solar System Science Collaboration and R. Lynne Jones and Michelle T. Bannister and Bryce T. Bolin and Colin Orion Chandler and Steven R. Chesley and Siegfried Eggl and Sarah Greenstreet and Timothy R. Holt and Henry H. Hsieh and Zeljko Ivezić and Mario Jurić and Michael S. P. Kelley and Matthew M. Knight and Renu Malhotra and William J. Oldroyd and Gal Sarid and Megan E. Schwamb and Colin Snodgrass and Michael Solontoi and David E. Trilling}, + year={2020}, + eprint={2009.07653}, + archivePrefix={arXiv}, + primaryClass={astro-ph.IM}, + url={https://arxiv.org/abs/2009.07653}, +} + @misc{OrbFit, title = {OrbFit: Astrometric orbit determination software}, author = {Milani, A. and Gronchi, G. F. and others}, diff --git a/joss_data/paper.md b/joss_data/paper.md index 994a528..cdfc63a 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -19,23 +19,17 @@ bibliography: paper.bib # Summary -Upcoming wide-field surveys—most notably the Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST)—are expected to increase the number of known small Solar System bodies by an order of magnitude. This scale requires efficient and robust algorithms that can derive preliminary orbits quickly and reproducibly from large, heterogeneous datasets. +The Vera C. Rubin Observatory will conduct the Legacy Survey of Space and Time (LSST), which will produce an unprecedented optical alert stream exceeding ten million alerts per night. A substantial fraction of these alerts will correspond to moving Solar System objects. LSST is expected to increase the number of known asteroids by at least an order of magnitude—from roughly 1.3 million today to several million new discoveries over the survey lifetime. Handling this volume requires fast and reliable tools to read astrometric observations and estimate preliminary orbits automatically. -**Outfit** is a Rust library for reading astrometric observations and computing preliminary orbits of small bodies using an implementation of the Gauss method. It provides high-throughput ingestion of standard formats (Minor Planet Center 80-column, ADES XML, and Parquet), explicit observer management (MPC codes, topocentric geometry), and accurate state propagation via JPL planetary ephemerides (e.g., DE440). The library emphasises speed, memory safety, reproducibility, and modular design. Observation parsing and trajectory batching are decoupled from the initial orbit determination (IOD) logic, and all public APIs are documented and thoroughly tested. Outfit re-implements classic OrbFit IOD behaviour in a modern, production-grade codebase, suitable for survey-scale pipelines (e.g., LSST/ZTF-like workloads). +Alert brokers such as Fink receive the LSST alert stream ahead of all other users and classify alerts in real time. Their position at the earliest stage of data dissemination places them on the front line for recognising and flagging previously unknown asteroids. Early identification of such objects improves alert classification, enables rapid computation of ephemerides for follow-up, and supports linking future detections to newly derived orbits. It also allows brokers to filter out moving objects when searching for fast optical transients, an important capability for multi-messenger astronomy. # Statement of need -Astrometric pipelines for near-Earth and small-body surveys must ingest heterogeneous observation formats, manage observers, and determine preliminary orbits efficiently and reproducibly. Existing tools (e.g., OrbFit [@OrbFit]) are widely used and trusted, but often expose monolithic interfaces and legacy implementations that are more difficult to integrate into data-intensive workflows. Outfit fills this gap by offering: +Preliminary orbit determination is a foundational step in Solar System science. Researchers, survey teams, alert brokers, and even advanced amateur observers rely on software that can ingest astrometric measurements and rapidly estimate orbits for newly detected objects. Within the astronomical community, tools such as OrbFit have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. They remain widely used in observatories and research groups around the world. -- A memory-safe, high-performance core implemented in Rust. -- Unified I/O across MPC 80-column [@MPC80col] and ADES XML [@ADES] with a columnar option (Parquet/Arrow [@Arrow; @Parquet]) for large batches. -- Explicit observer handling with MPC codes and topocentric geometry. -- Deterministic Gauss IOD with controlled numerical behaviour and explicit error types. -- Clean integration with JPL ephemerides (DE series) [@DE440; @NAIF] for accurate state propagation -- Accurate time-scale handling via `hifitime` [@hifitime]. -- Optional parallel computation for Gauss IOD (`--features parallel`) to scale across large batches. +However, the software landscape in which these tools operate is changing. Modern surveys, real-time alert brokers, and large-scale data-processing systems require libraries that can be integrated directly into automated workflows, support programmatic access, and operate reliably at scale. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. -This combination enables reproducible, scalable preliminary orbit determination and downstream evaluation (RMS of normalised residuals) within modern data processing stacks. Outfit is intended for researchers building survey pipelines, teaching orbit determination, or benchmarking algorithmic variants on large datasets. +**Outfit** was created to meet this need. It provides a modern, open-source library for preliminary orbit determination that can be called directly from within automated pipelines, allowing users to process observations in memory and estimate orbits without relying on external executables. By offering a clear and well-tested programming interface, Outfit enables the community to integrate classical orbit-determination techniques into contemporary survey pipelines and alert-broker infrastructures, ensuring that these methods remain accessible and usable as astronomical data volumes continue to grow. # Software description From 79f1ee24a9b43b6e03958a02e1c441953aa4b18c Mon Sep 17 00:00:00 2001 From: Roman Date: Thu, 11 Dec 2025 11:22:34 +0100 Subject: [PATCH 11/21] paper draft v2, improved text based on hadrien review --- joss_data/paper.bib | 235 +++++++++++++++++++++++++++----------------- joss_data/paper.md | 76 +++++--------- 2 files changed, 169 insertions(+), 142 deletions(-) diff --git a/joss_data/paper.bib b/joss_data/paper.bib index 585cbfb..ccb64b5 100644 --- a/joss_data/paper.bib +++ b/joss_data/paper.bib @@ -1,141 +1,196 @@ @misc{rubinobservatorylsstsolarsystemsciencecollaboration2020scientificimpactverac, - title={The Scientific Impact of the Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) for Solar System Science}, - author={ Rubin Observatory LSST Solar System Science Collaboration and R. Lynne Jones and Michelle T. Bannister and Bryce T. Bolin and Colin Orion Chandler and Steven R. Chesley and Siegfried Eggl and Sarah Greenstreet and Timothy R. Holt and Henry H. Hsieh and Zeljko Ivezić and Mario Jurić and Michael S. P. Kelley and Matthew M. Knight and Renu Malhotra and William J. Oldroyd and Gal Sarid and Megan E. Schwamb and Colin Snodgrass and Michael Solontoi and David E. Trilling}, - year={2020}, - eprint={2009.07653}, - archivePrefix={arXiv}, - primaryClass={astro-ph.IM}, - url={https://arxiv.org/abs/2009.07653}, + title = {The Scientific Impact of the Vera C. Rubin Observatory's Legacy Survey of Space and Time (LSST) for Solar System Science}, + author = { LSST-SSSC and R. Lynne Jones and Michelle T. Bannister and Bryce T. Bolin and Colin Orion Chandler and Steven R. Chesley and Siegfried Eggl and Sarah Greenstreet and Timothy R. Holt and Henry H. Hsieh and Zeljko Ivezić and Mario Jurić and Michael S. P. Kelley and Matthew M. Knight and Renu Malhotra and William J. Oldroyd and Gal Sarid and Megan E. Schwamb and Colin Snodgrass and Michael Solontoi and David E. Trilling}, + year = {2020}, + eprint = {2009.07653}, + archiveprefix = {arXiv}, + primaryclass = {astro-ph.IM}, + url = {https://arxiv.org/abs/2009.07653} +} + +@article{LSST_from_science_to_design, + author = {{Ivezi{\'c}}, {\v{Z}}eljko and {Kahn}, Steven M. and {Tyson}, J. 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E. {Apache Arrow Project}}, + title = {Apache Arrow: A Cross-Language Development Platform for In-Memory Data}, + journal = {Data Engineering}, + year = {2017}, + note = {Project documentation: https://arrow.apache.org/} } @misc{Parquet, - author = {{Apache Parquet Project}}, - title = {Apache Parquet}, - howpublished = {Project page}, - url = {https://parquet.apache.org/}, - note = {Accessed: 2025-12-05} + author = {{Apache Parquet Project}}, + title = {Apache Parquet}, + year = {2025}, + howpublished = {Project page}, + url = {https://parquet.apache.org/}, + note = {Accessed: 2025-12-05} } @misc{rust, - author = {{Rust Project}}, - title = {The Rust Programming Language}, - howpublished = {Official website}, - url = {https://www.rust-lang.org/}, - note = {Accessed: 2025-12-05} + author = {{Rust Project}}, + title = {The Rust Programming Language}, + year = {2025}, + howpublished = {Official website}, + url = {https://www.rust-lang.org/}, + note = {Accessed: 2025-12-05} } @misc{nalgebra, - author = {Crozet, S. and Dimforge Contributors}, - title = {nalgebra: Linear algebra library for Rust}, - howpublished = {Crate documentation}, - url = {https://crates.io/crates/nalgebra}, - note = {Accessed: 2025-12-05} + author = {Crozet, S. and Dimforge Contributors}, + title = {nalgebra: Linear algebra library for Rust}, + year = {2025}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/nalgebra}, + note = {Accessed: 2025-12-05} } @misc{hifitime, - author = {Christopher Rabotin}, - title = {hifitime: High-Fidelity Time library for Rust}, - howpublished = {Crate documentation}, - url = {https://crates.io/crates/hifitime}, - note = {Accessed: 2025-12-05} + author = {Christopher Rabotin}, + title = {hifitime: High-Fidelity Time library for Rust}, + year = {2025}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/hifitime}, + note = {Accessed: 2025-12-05} } @misc{rayon, - author = {N. Matsakis and {Rayon Contributors}}, - title = {Rayon: Data Parallelism in Rust}, - howpublished = {Crate documentation}, - url = {https://crates.io/crates/rayon}, - note = {Accessed: 2025-12-05} + author = {N. Matsakis and {Rayon Contributors}}, + title = {Rayon: Data Parallelism in Rust}, + year = {2025}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/rayon}, + note = {Accessed: 2025-12-05} } @misc{Aberth, - author = {ickk and contributors}, - title = {aberth: Aberth–Ehrlich polynomial root-finding in Rust}, - howpublished = {GitHub repository}, - url = {https://github.com/ickk/aberth}, - note = {Accessed: 2025-12-05} + author = {ickk and contributors}, + title = {aberth: Aberth–Ehrlich polynomial root-finding in Rust}, + year = {2025}, + howpublished = {GitHub repository}, + url = {https://github.com/ickk/aberth}, + note = {Accessed: 2025-12-05} } @misc{indicatif, - author = {F. {Indicatif Contributors}}, - title = {indicatif: Progress bars for Rust}, - howpublished = {Crate documentation}, - url = {https://crates.io/crates/indicatif}, - note = {Accessed: 2025-12-05} + author = {F. {Indicatif Contributors}}, + title = {indicatif: Progress bars for Rust}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/indicatif}, + note = {Accessed: 2025-12-05} } @misc{comfytable, - author = {{comfy-table Contributors}}, - title = {comfy-table: Table formatting for Rust}, - howpublished = {Crate documentation}, - url = {https://crates.io/crates/comfy-table}, - note = {Accessed: 2025-12-05} + author = {{comfy-table Contributors}}, + title = {comfy-table: Table formatting for Rust}, + howpublished = {Crate documentation}, + url = {https://crates.io/crates/comfy-table}, + note = {Accessed: 2025-12-05} } @misc{SemVer, - author = {Preston-Werner, T.}, - title = {Semantic Versioning 2.0.0}, - howpublished = {Specification}, - url = {https://semver.org/}, - note = {Accessed: 2025-12-05} + author = {Preston-Werner, T.}, + title = {Semantic Versioning 2.0.0}, + year = {2025}, + howpublished = {Specification}, + url = {https://semver.org/}, + note = {Accessed: 2025-12-05} } @misc{KeepAChangelog, - author = {Oliveira, O. and others}, - title = {Keep a Changelog}, - howpublished = {Project page}, - url = {https://keepachangelog.com/en/1.0.0/}, - note = {Accessed: 2025-12-05} + author = {Oliveira, O. and others}, + title = {Keep a Changelog}, + year = {2025}, + howpublished = {Project page}, + url = {https://keepachangelog.com/en/1.0.0/}, + note = {Accessed: 2025-12-05} } diff --git a/joss_data/paper.md b/joss_data/paper.md index cdfc63a..a3cbd5e 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -19,92 +19,64 @@ bibliography: paper.bib # Summary -The Vera C. Rubin Observatory will conduct the Legacy Survey of Space and Time (LSST), which will produce an unprecedented optical alert stream exceeding ten million alerts per night. A substantial fraction of these alerts will correspond to moving Solar System objects. LSST is expected to increase the number of known asteroids by at least an order of magnitude—from roughly 1.3 million today to several million new discoveries over the survey lifetime. Handling this volume requires fast and reliable tools to read astrometric observations and estimate preliminary orbits automatically. +The NSF-DOE Vera C. Rubin Observatory [@LSST_from_science_to_design] will conduct the Legacy Survey of Space and Time (LSST), which will produce an unprecedented optical alert stream exceeding ten million alerts per night. A substantial fraction of these alerts will correspond to moving Solar System objects. LSST is expected to increase the number of known asteroids by at least an order of magnitude—from roughly 1.3 million today to several million new discoveries over the survey lifetime [@rubinobservatorylsstsolarsystemsciencecollaboration2020scientificimpactverac]. Handling this volume requires fast and reliable tools to read astrometric observations and estimate preliminary orbits automatically. -Alert brokers such as Fink receive the LSST alert stream ahead of all other users and classify alerts in real time. Their position at the earliest stage of data dissemination places them on the front line for recognising and flagging previously unknown asteroids. Early identification of such objects improves alert classification, enables rapid computation of ephemerides for follow-up, and supports linking future detections to newly derived orbits. It also allows brokers to filter out moving objects when searching for fast optical transients, an important capability for multi-messenger astronomy. +Alert brokers such as Fink [@Fink_2020] receive the LSST alert stream ahead of all other users and classify alerts in real time. Their position at the earliest stage of data dissemination places them on the front line for recognising and flagging previously unknown asteroids. Early identification of such objects improves alert classification, enables rapid computation of ephemerides for follow-up, and supports linking future detections to newly derived orbits. It also allows brokers to filter out moving objects when searching for fast optical transients, an important capability for multi-messenger astronomy. # Statement of need -Preliminary orbit determination is a foundational step in Solar System science. Researchers, survey teams, alert brokers, and even advanced amateur observers rely on software that can ingest astrometric measurements and rapidly estimate orbits for newly detected objects. Within the astronomical community, tools such as OrbFit have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. They remain widely used in observatories and research groups around the world. +Preliminary orbit determination is a foundational step in Solar System science. Researchers, survey teams, alert brokers, and even advanced amateur observers rely on software that can ingest astrometric measurements and rapidly estimate orbits for newly detected objects. Within the astronomical community, tools such as OrbFit [@OrbFit] or Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. They remain widely used in observatories and research groups around the world. However, the software landscape in which these tools operate is changing. Modern surveys, real-time alert brokers, and large-scale data-processing systems require libraries that can be integrated directly into automated workflows, support programmatic access, and operate reliably at scale. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. -**Outfit** was created to meet this need. It provides a modern, open-source library for preliminary orbit determination that can be called directly from within automated pipelines, allowing users to process observations in memory and estimate orbits without relying on external executables. By offering a clear and well-tested programming interface, Outfit enables the community to integrate classical orbit-determination techniques into contemporary survey pipelines and alert-broker infrastructures, ensuring that these methods remain accessible and usable as astronomical data volumes continue to grow. +**Outfit[^outfit]** was created to meet this need. It provides a modern, open-source library for preliminary orbit determination that can be called directly from within automated pipelines, allowing users to process observations in memory and estimate orbits without relying on external executables. By offering a clear and well-tested programming interface, Outfit enables the community to integrate classical orbit-determination techniques into contemporary survey pipelines and alert-broker infrastructures, ensuring that these methods remain accessible and usable as astronomical data volumes continue to grow. -# Software description +[^outfit]: -## Functionality -Outfit provides: +# Software description -- Observation parsers: MPC 80-column, ADES XML, and Parquet. -- Trajectory batching utilities and adaptive batch APIs for large sets. -- Gauss IOD on triplets with acceptability filters and Lagrange coefficient refinement. -- Observer management (MPC codes, geodetic/geocentric geometry) and pretty-printing utilities. -- Ephemeris integration via JPL (DE440 and similar) with optional automatic download. -- Display helpers for compact/wide/ISO tables of observations. +## Functionality -## Architecture +Outfit transforms raw astrometric observations into preliminary orbital solutions for small Solar System bodies and propagates these solutions to other epochs. It combines robust input handling, explicit modelling of observatories and reference frames, and classical initial-orbit-determination algorithms in a form suited to automated, high-throughput pipelines. -The crate is organised into focused modules with clear responsibilities: +Designed primarily as an embeddable library, Outfit accepts observations directly as in-memory batches generated upstream, enabling programmatic orbit fitting without external executables or temporary files. For interoperability with existing workflows, it also ingests standard formats—including MPC 80-column [@MPC80col], ADES XML [@ADES], and columnar layouts such as Parquet/Arrow [@Arrow; @Parquet]—with validation and time-scale normalisation performed on load. -![Outfit crate architecture overview.\label{fig:architecture}](outfit_architecture.png){ width=80% } +Initial orbit determination follows the classical Gauss method on triplets of optical observations. The solver performs iterative refinement, numerical and geometric acceptability checks, and RMS residual evaluation. The eighth-degree polynomial arising in Gauss’s formulation is solved using an Aberth–Ehrlich method (via the aberth crate [@Aberth]), ensuring stable and efficient root finding. Observatory geometry is handled explicitly via MPC codes or geodetic coordinates, which are converted into consistent geocentric and topocentric frames. -- observations — parsing MPC/ADES/Parquet, data validation, time-scale normalisation. It provides robust parsers for standard formats, normalises times to consistent scales, and validates fields and units to ensure inputs are well-formed before IOD. -- observers — MPC observatory codes, geodetic conversion, topocentric geometry. This module resolves MPC codes to observer locations, handles Earth models and coordinate conversions, and computes observer-centric vectors used in line-of-sight calculations. -- initial_orbit_determination — Gauss method, Lagrange coefficient iteration, acceptability filters, error reporting. It implements the Gauss triplet solver, refines f–g (Lagrange) coefficients iteratively, and applies numerical and geometric filters; all failures surface explicit, typed errors. -- trajectories — batching, grouping, and utilities for large candidate sets. It assembles observation triplets into candidate trajectories, supports adaptive batching for large datasets, and exposes helpers to evaluate and sort solutions. -- jpl_ephem — DE ephemeris access (local kernels or automatic download). Provides planetary states from JPL DE kernels with caching and optional automated download, ensuring accurate Sun/planet positions for IOD and propagation. -- orbit_type — Keplerian, equinoctial, and cometary elements with conversions. Provides element representations and conversions between standard orbital parameterisations, along with formatting utilities for reporting and downstream analysis. +Core numerical operations rely on nalgebra [@nalgebra] for efficient linear-algebra routines. Outfit supports multiple orbital element representations (Keplerian, equinoctial, and cometary), two-body propagation, and planetary ephemerides from JPL DE kernels (e.g., DE440) [@DE440; @NAIF]. Time handling uses hifitime [@hifitime] for consistent UTC/TT/TDB conversions. -The public API favours explicit types, immutable inputs where possible, and strongly typed time and angle units. Performance-critical routines rely on nalgebra, while parallelism is opt-in via a crate feature. Columnar ingestion uses Arrow/Parquet to support HPC and distributed workflows. +For survey-scale workloads, Outfit provides batched—and optionally parallel—processing of trajectories. Parallelism is implemented with Rayon [@rayon], allowing multi-core evaluation of independent orbit fits while preserving deterministic behaviour when required. This design lets users tune memory use and throughput effectively across a wide range of data volumes. ## Quality, documentation, and testing -The Outfit package includes unit tests and integration tests that cover parsing (MPC/ADES/Parquet), observer handling, Gauss IOD numerical behaviour, and trajectory batching (see `tests/`). In addition, we use property-based testing (via `proptest`) to stress numerical invariants and edge cases across wide parameter ranges, thereby improving robustness beyond hand-crafted cases. For accuracy, we run regression tests on real observation datasets and compare the results against OrbFit outputs [@OrbFit]. Notably, the objects 2015AB, 8467, and 33803 are validated using MPC 80-column inputs (see `tests/data/` and `orbfit_tests/`). +Outfit includes unit, integration, and property-based tests covering parsing, observer handling, Gauss IOD, and trajectory batching, as well as regression tests on real astrometric datasets (e.g., 2015AB, 8467, 33803) to ensure numerical stability. Continuous integration enforces automated testing, coverage tracking, and semantic-versioning checks[@SemVer]. The repository includes additional guides and a versioned changelog [@KeepAChangelog]. -Software quality is enforced through continuous integration (CI): we run automated tests on each change, track code coverage, and perform semantic versioning checks (e.g., `semver` compatibility) to ensure API stability across releases. Version history is maintained via git with a clear changelog and tagged releases; this structured release process is not available in OrbFit's upstream distribution. Examples in `examples/` demonstrate end‑to‑end workflows (e.g., reading Parquet and running Gauss IOD). The repository follows semantic versioning and maintains a comprehensive changelog [@SemVer; @KeepAChangelog]. The crate documentation is published on docs.rs, and the README provides installation instructions, a quick start guide, feature flags (including `parallel`), and performance notes. Outfit is available on crates.io for easy installation and inclusion in other Rust projects via Cargo's dependency system. +Documentation is available on docs.rs and supported by runnable examples demonstrating end-to-end usage, such as reading Parquet observations and running Gauss IOD: -## Performance and reproducibility +```bash +cargo run --release --example parquet_to_orbit --features "jpl-download" +``` - Rust enables predictable performance and memory safety. For survey-scale workloads, Outfit offers Parquet ingestion and optional parallel Gauss IOD (`--features parallel`) with a configurable batch size set via `IODParams.batch_size`. Numeric stability is enforced via explicit acceptability checks and non-finite score detection. Determinism is promoted through clear random seeding paths and ordered iteration for reporting. +These examples provide small, reproducible entry points for validating behaviour. ## Python bindings (pyOutfit) -Outfit is also exposed to Python via pyOutfit, a binding built with PyO3 and distributed with maturin: https://github.com/FusRoman/pyOutfit. It provides a thin, idiomatic Python interface to the Rust core (parsing MPC/ADES/Parquet, observer handling, and Gauss IOD), enabling integration in notebooks and Python pipelines. The binding is available on PyPI and ships precompiled Rust manylinux wheels for Python 3.10, 3.11, and 3.12. - -Project documentation is published on GitHub Pages using MkDocs Material, and the public API is type‑annotated via .pyi stub files to improve IDE completion and static type checking. Examples mirror the Rust examples to ease cross‑language adoption. The package includes a test suite, and the documentation examples are sourced from Python files and executed automatically in continuous integration to keep the documentation accurate and up to date. +Outfit is also exposed to Python via **pyOutfit[^pyoutfit]**, a binding built with PyO3 and distributed with maturin. It provides a thin, idiomatic Python interface to the Rust core, enabling integration in notebooks and Python pipelines. The binding is available on PyPI and ships precompiled Rust manylinux wheels for Python 3.10, 3.11, and 3.12. -# Demonstration +[^pyoutfit]: -The crate ships runnable examples demonstrating observation ingestion and Gauss IOD. For instance, running the Parquet example with automatic ephemeris download: - -```bash -cargo run --release --example parquet_to_orbit --features "jpl-download" -``` - -Illustrative outputs include orbital elements and RMS of normalised residuals, and optional progress reporting (`--features progress`). Examples are documented in the README and serve as minimal, reproducible entry points to validate functionality locally. +Project documentation is published on GitHub Pages using MkDocs Material, and the public API is type‑annotated via .pyi stub files to improve IDE completion and static type checking. Examples mirror the Rust examples to ease cross‑language adoption. The package includes a test suite, and the documentation examples are sourced from Python files and executed automatically in continuous integration to keep the documentation accurate and up to date. # Limitations and future work -Current limitations: - -- Initial orbit determination is limited to the Gauss method on optical astrometry; no radar/radio observables are supported yet. -- No full least-squares refinement (differential corrections), hence no formal covariance or robust uncertainty quantification. -- Hyperbolic trajectories are not yet supported in fitting, limiting interstellar object handling. -- Efficient ephemerides generation from estimated orbits (initial or refined) is not yet exposed as a high-level API. - -Planned work: +Outfit currently focuses on optical astrometry and provides initial orbit determination through the classical Gauss method. It does not yet support radar or radio observables, hyperbolic orbit fitting, or full least-squares refinement, and therefore cannot produce formal covariances or robust uncertainty estimates. In addition, while planetary ephemerides are fully integrated, the library does not yet expose a high-level API for generating predicted ephemerides from estimated orbits. -- Add full orbital estimation via a least-squares method (as in OrbFit), including covariance output and convergence diagnostics. -- Add an alternative initial orbit method (Vaisala/Väisälä) to complement Gauss. -- Add support for hyperbolic orbits to fit interstellar candidates (e.g., 1I/'Oumuamua, 2I/Borisov, 3I/ATLAS). -- Add efficient ephemerides computation from estimated orbits (initial or full) for prediction and residual analysis. -- Add support for radio/radar observations (e.g., delay and Doppler), alongside optical astrometry. +Future development will extend the IOD capabilities beyond Gauss, notably through the addition of a Väisälä solver and a full differential-corrections pipeline with covariance output. Support for hyperbolic trajectories will enable the analysis of interstellar candidates, and a unified API for orbit-based ephemeris prediction will facilitate downstream residual analysis. Longer-term plans include incorporating radar and Doppler measurements to complement optical data and broaden Outfit’s applicability across Solar System studies. # Acknowledgements -We acknowledge the maintainers of OrbFit for foundational work in preliminary orbit determination, the JPL Horizons/NAIF teams for ephemerides and kernels, and contributors and users who provided feedback on API ergonomics and tests. Development benefited from the Rust ecosystem and libraries cited below. +We acknowledge the maintainers of OrbFit for foundational work in preliminary orbit determination, the JPL Horizons/NAIF teams for ephemerides and kernels, and contributors and users who provided feedback on API ergonomics and tests. Development benefited from the Rust ecosystem and libraries cited. # References From 8a80c68b199cf4cbc8298ec398aefa6027f59705 Mon Sep 17 00:00:00 2001 From: Roman Date: Fri, 9 Jan 2026 15:03:16 +0100 Subject: [PATCH 12/21] push hadrien suggestion --- Cargo.toml | 5 + benches/gauss_prelim_orbit.rs | 232 ++++++++++++++++++++---- benches/iod_batch_diff.rs | 282 ++++++++++++++++++++++++++++++ benches/outfit_gauss_iod.rs | 129 +++++++++++++- joss_data/outfit_architecture.png | Bin 739870 -> 0 bytes joss_data/outfit_architecture.xml | 71 -------- joss_data/paper.bib | 34 +++- joss_data/paper.md | 4 +- 8 files changed, 647 insertions(+), 110 deletions(-) create mode 100644 benches/iod_batch_diff.rs delete mode 100644 joss_data/outfit_architecture.png delete mode 100644 joss_data/outfit_architecture.xml diff --git a/Cargo.toml b/Cargo.toml index a1867e8..f8aca64 100644 --- a/Cargo.toml +++ b/Cargo.toml @@ -131,6 +131,11 @@ name = "gauss_prelim_orbit" harness = false required-features = ["jpl-download"] +[[bench]] +name = "iod_batch_diff" +harness = false +required-features = ["jpl-download"] + [profile.bench] opt-level = 3 lto = "thin" diff --git a/benches/gauss_prelim_orbit.rs b/benches/gauss_prelim_orbit.rs index 7621ca1..3c244d9 100644 --- a/benches/gauss_prelim_orbit.rs +++ b/benches/gauss_prelim_orbit.rs @@ -1,13 +1,34 @@ -//! Benchmarks for GaussObs::prelim_orbit (single-threaded) +//! Benchmarks for `GaussObs::prelim_orbit` (single-threaded). //! -//! Exemples d'exécution : -//! cargo bench --bench gauss_prelim_orbit --features jpl-download -//! cargo bench gauss_prelim_orbit -- gauss_prelim_orbit/single_call -//! cargo bench gauss_prelim_orbit -- gauss_prelim_orbit/batch_100 -//! cargo bench gauss_prelim_orbit -- gauss_prelim_orbit/noisy_batch_100 +//! # Overview //! -//! Astuce : vous pouvez aussi lancer en ligne de commande avec -//! RAYON_NUM_THREADS=1 cargo bench --bench gauss_prelim_orbit +//! This benchmark suite exercises the Gauss preliminary orbit determination +//! routine on a fixed synthetic fixture (`GaussObs`), in different usage +//! patterns: +//! +//! * Single call (micro-benchmark of the core algorithm). +//! * Fixed-size batches (e.g. 100 calls) to isolate algorithmic cost. +//! * Noisy realizations (Monte Carlo–like scenario). +//! * Scaling with batch size to study throughput and amortized overhead. +//! +//! All benchmarks are **single-threaded** by construction to avoid any +//! interference from Rayon or downstream parallelism. +//! +//! # Example commands +//! +//! ```bash +//! cargo bench --bench gauss_prelim_orbit --features jpl-download +//! cargo bench gauss_prelim_orbit -- gauss_prelim_orbit/single_call +//! cargo bench gauss_prelim_orbit -- gauss_prelim_orbit/batch_100 +//! cargo bench gauss_prelim_orbit -- gauss_prelim_orbit/noisy_single_call +//! cargo bench gauss_prelim_orbit -- gauss_prelim_orbit_batch_scaling/batch_size_256 +//! ``` +//! +//! Tip: you can also enforce single-threading from the command line with: +//! +//! ```bash +//! RAYON_NUM_THREADS=1 cargo bench --bench gauss_prelim_orbit +//! ``` #![cfg_attr(not(feature = "jpl-download"), allow(dead_code))] @@ -21,21 +42,64 @@ use outfit::outfit::Outfit; use outfit::outfit_errors::OutfitError; use rand::SeedableRng; -/// Build global Outfit state (ephemerides, frames, etc.) -/// Note: keep this outside the hot loops. +/// Build the global Outfit state (ephemerides, reference frames, etc.). +/// +/// This helper constructs an [`Outfit`] environment using the DE440 ephemeris +/// and the FCCT14 astrometric error model, matching the production setup. +/// +/// Arguments +/// ----------------- +/// * None. +/// +/// Return +/// ---------- +/// * A `Result` containing the initialized [`Outfit`] environment, or an +/// [`OutfitError`] if initialization fails. +/// +/// See also +/// ------------ +/// * [`make_fixture_gaussobs`] – Provides a deterministic Gauss fixture. +/// * [`bench_prelim_orbit`] – Uses this state for all prelim-orbit benchmarks. +/// * [`bench_prelim_orbit_vs_batch_size`] – Reuses the same state for +/// batch-scaling experiments. fn build_state() -> Result { - // English in-code comments per user preference: // Using FCCT14 as in production; adjust if you want to compare error models. use outfit::error_models::ErrorModel; Outfit::new("horizon:DE440", ErrorModel::FCCT14) } -/// Deterministic GaussObs fixture (angles in radians, times in MJD TT) +/// Create a deterministic `GaussObs` test fixture (angles in radians, times in MJD TT). +/// +/// The fixture encodes: +/// * Three observation indices (0, 1, 2), +/// * Right ascensions and declinations (radians), +/// * Observation times (MJD TT), +/// * Heliocentric positions of the observer at each epoch (AU). +/// +/// Arguments +/// ----------------- +/// * None. +/// +/// Return +/// ---------- +/// * A [`GaussObs`] instance with fixed values suitable for reproducible +/// benchmarking. +/// +/// See also +/// ------------ +/// * [`build_state`] – Returns the global Outfit environment. +/// * [`bench_prelim_orbit`] – Benchmarks `prelim_orbit` on this fixture. +/// * [`bench_prelim_orbit_vs_batch_size`] – Reuses the same fixture to explore +/// performance scaling with batch size. fn make_fixture_gaussobs() -> GaussObs { let idx_obs = Vector3::new(0, 1, 2); - let ra = Vector3::new(1.6894680985108945, 1.6898614520910629, 1.7526450904422723); + let ra = Vector3::new( + 1.689_468_098_510_894_5, + 1.689_861_452_091_062_9, + 1.752_645_090_442_272_3, + ); let dec = Vector3::new( - 1.0825984522657437, + 1.082_598_452_265_743_7, 0.943_679_018_934_623_1, 0.827_517_321_571_201_4, ); @@ -61,14 +125,32 @@ fn make_fixture_gaussobs() -> GaussObs { } /// Force Rayon (if used by downstream code) to a single worker thread. -/// Must be called before any Rayon pool is created by dependencies. +/// +/// This function sets the `RAYON_NUM_THREADS` environment variable to `"1"` +/// **before** any Rayon thread pool is created, ensuring that all parallel +/// code in dependencies is effectively single-threaded. +/// +/// Arguments +/// ----------------- +/// * None. +/// +/// Return +/// ---------- +/// * Nothing. The function is used for its side-effect on the process +/// environment. +/// +/// See also +/// ------------ +/// * [`bench_prelim_orbit`] – Calls this before any benchmark runs. +/// * [`bench_prelim_orbit_vs_batch_size`] – Also enforces single-threaded +/// execution for scaling benchmarks. fn force_single_thread_pool() { - // Pure env-var approach: works even if we don't depend on rayon directly. - // Must be set very early, before any rayon usage. + // Pure env-var approach: works even if we do not depend on Rayon directly. + // Must be set very early, before any Rayon usage. std::env::set_var("RAYON_NUM_THREADS", "1"); - // If you prefer hard enforcement and have rayon as a dev-dependency, - // you could uncomment this block (but it's optional): + // If you prefer hard enforcement and have Rayon as a dev-dependency, + // you could uncomment this block (but it is optional): // // #[cfg(any())] // { @@ -79,6 +161,34 @@ fn force_single_thread_pool() { // } } +/// Benchmark various usage patterns of `GaussObs::prelim_orbit` on a fixed fixture. +/// +/// This benchmark group (`gauss_prelim_orbit`) contains: +/// +/// 1. **single_call** – A single call to `prelim_orbit`, micro-benchmarking +/// the solver itself. +/// 2. **batch_100** – Reuse the same input and call `prelim_orbit` 100 times +/// per iteration, focusing on algorithmic cost. +/// 3. **noisy_single_call** – Generate noisy realizations of the same geometry +/// (Monte Carlo–style) and call `prelim_orbit` on each noisy instance. +/// +/// Single-threaded execution is enforced to avoid interference from any +/// Rayon-based parallelism in downstream code. +/// +/// Arguments +/// ----------------- +/// * `c` - Criterion handle used to register the benchmarks. +/// +/// Return +/// ---------- +/// * Nothing. The function registers benchmark cases in the given +/// [`Criterion`] context. +/// +/// See also +/// ------------ +/// * [`bench_prelim_orbit_vs_batch_size`] – Explores scaling vs. batch size. +/// * [`make_fixture_gaussobs`] – Provides the deterministic Gauss fixture. +/// * [`build_state`] – Constructs the shared Outfit environment. fn bench_prelim_orbit(c: &mut Criterion) { // Ensure single-threaded execution before anything else touches Rayon. force_single_thread_pool(); @@ -102,7 +212,7 @@ fn bench_prelim_orbit(c: &mut Criterion) { }) }); - // 2) Batch 100: reuse same input, measure algorithmic cost only + // 2) Batch 100: reuse same input, measure algorithmic cost only. group.bench_function("batch_100", |b| { b.iter_batched( || gauss.clone(), @@ -116,21 +226,20 @@ fn bench_prelim_orbit(c: &mut Criterion) { ) }); - // 3) Noisy: generate one noisy realization then run prelim_orbit + // 3) Noisy: generate noisy realizations then run prelim_orbit on each. group.bench_function("noisy_single_call", |b| { b.iter_batched( || gauss.clone(), |g| { - // 0.3" ≈ 1.454e-6 rad; use your production noise scale if different. + // 0.3" ≈ 1.454e-6 rad; we use ~1.5e-6 rad as a representative astrometric noise. let sigma_rad = 1.5e-6_f64; let mut rng = rand::rngs::StdRng::seed_from_u64(42); - let noisy = g.generate_noisy_realizations( - &(Vector3::zeros().add_scalar(1.0) * sigma_rad), - &(Vector3::zeros().add_scalar(1.0) * sigma_rad), - 100, - 1.0, - &mut rng, - ); + + // Per-angle standard deviations (same for RA and Dec here). + let sigma_vec = Vector3::zeros().add_scalar(sigma_rad); + + let noisy = + g.generate_noisy_realizations(&sigma_vec, &sigma_vec, 100, 1.0, &mut rng); for gg in noisy { let res = gg.prelim_orbit(&state, &IODParams::default()); @@ -144,5 +253,68 @@ fn bench_prelim_orbit(c: &mut Criterion) { group.finish(); } -criterion_group!(gauss_benches, bench_prelim_orbit); +/// Benchmark the scaling of `prelim_orbit` with the number of calls per batch. +/// +/// This group (`gauss_prelim_orbit_batch_scaling`) explores how the cost per +/// orbit-fit behaves as you increase the batch size: +/// +/// * For small batches, overheads (Criterion, function calls, etc.) dominate. +/// * For large batches, the raw cost of the preliminary orbit algorithm +/// becomes more apparent, yielding a stable "time per fit". +/// +/// This is particularly useful to derive a "time per orbit-fit" curve for +/// performance notes or publications. +/// +/// Arguments +/// ----------------- +/// * `c` - Criterion handle used to register the benchmarks. +/// +/// Return +/// ---------- +/// * Nothing. The function registers the batch-scaling benchmarks. +/// +/// See also +/// ------------ +/// * [`bench_prelim_orbit`] – Baseline single-call and fixed-batch benchmarks. +/// * [`make_fixture_gaussobs`] – Fixed geometry used for all fits. +/// * [`build_state`] – Shared Outfit environment reused across batches. +fn bench_prelim_orbit_vs_batch_size(c: &mut Criterion) { + // Ensure single-threaded execution before anything else touches Rayon. + force_single_thread_pool(); + + let mut group = c.benchmark_group("gauss_prelim_orbit_batch_scaling"); + + // Build global state once (outside hot loops). + let state = build_state().expect("Outfit state"); + + // Deterministic fixture. + let gauss = make_fixture_gaussobs(); + + // Different batch sizes to explore scaling behaviour. + let batch_sizes = [1_usize, 4, 16, 64, 128, 256, 512]; + + for &batch in &batch_sizes { + let name = format!("batch_size_{batch}"); + group.bench_function(&name, |b| { + b.iter_batched( + || gauss.clone(), + |g| { + for _ in 0..batch { + let res = g.prelim_orbit(&state, &IODParams::default()); + black_box(&res); + } + }, + BatchSize::SmallInput, + ) + }); + } + + group.finish(); +} + +criterion_group!( + gauss_benches, + bench_prelim_orbit, + bench_prelim_orbit_vs_batch_size +); criterion_main!(gauss_benches); diff --git a/benches/iod_batch_diff.rs b/benches/iod_batch_diff.rs new file mode 100644 index 0000000..600760d --- /dev/null +++ b/benches/iod_batch_diff.rs @@ -0,0 +1,282 @@ +//! Benchmark Gauss Initial Orbit Determination (IOD) on survey-like +//! trajectories loaded from a Parquet file. +//! +//! # Overview +//! +//! This benchmark loads `tests/data/test_from_fink.parquet`, builds a +//! `TrajectorySet`, and evaluates the performance of Gauss IOD across +//! increasing batch sizes of *distinct* trajectories (survey-like scenario). +//! +//! The goal is to estimate the average cost per orbit-fit when processing +//! large collections of independent tracks, similar to real survey pipelines. +//! +//! # Usage +//! ```bash +//! cargo bench --bench iod_batch_diff --features jpl-download +//! ``` +//! +//! The `jpl-download` feature is required so that the DE440 ephemeris can be +//! fetched if not already cached locally. + +#![cfg_attr(not(feature = "jpl-download"), allow(dead_code))] + +use std::cell::RefCell; + +use camino::Utf8Path; +use criterion::{black_box, criterion_group, criterion_main, BatchSize, Criterion}; +use outfit::constants::ObjectNumber; +use outfit::error_models::ErrorModel; +use outfit::initial_orbit_determination::gauss_result::GaussResult; +use outfit::initial_orbit_determination::IODParams; +use outfit::observations::observations_ext::ObservationIOD; +use outfit::outfit::Outfit; +use outfit::outfit_errors::OutfitError; +use outfit::trajectories::trajectory_file::TrajectoryFile; +use outfit::TrajectorySet; +use rand::rngs::StdRng; +use rand::SeedableRng; + +/// Run Gauss Initial Orbit Determination on a single trajectory. +/// +/// This function retrieves the observation list for a given trajectory, +/// constructs reasonable IOD parameters (noise realizations, triplet limits, +/// etc.) and calls [`ObservationIOD::estimate_best_orbit`]. +/// +/// # Arguments +/// * `env_state` – Mutable Outfit runtime environment (ephemerides, settings…) +/// * `traj_set` – The global trajectory set loaded from the Parquet file +/// * `traj_number` – The ID of the trajectory to solve +/// +/// # Returns +/// A tuple `(GaussResult, rms)` if a valid orbit is found, or a wrapped +/// [`OutfitError`] otherwise. +/// +/// Note that failures are **expected** for some trajectories in survey-like +/// datasets (insufficient geometry, poor conditioning, etc.). +fn run_iod( + env_state: &mut Outfit, + traj_set: &mut TrajectorySet, + traj_number: &ObjectNumber, +) -> Result<(GaussResult, f64), OutfitError> { + // Retrieve the mutable list of observations for this trajectory. + let obs = traj_set.get_mut(traj_number).expect("trajectory not found"); + + // Use a deterministic RNG so the benchmark remains reproducible. + let mut rng = StdRng::seed_from_u64(42); + + // Build the parameters controlling the Gauss IOD solver. + let params = IODParams::builder() + .n_noise_realizations(10) + .noise_scale(1.1) + .max_obs_for_triplets(obs.len()) + .max_triplets(30) + .build()?; + + // Perform the actual orbit estimation. + obs.estimate_best_orbit(env_state, &ErrorModel::FCCT14, &mut rng, ¶ms) +} + +/// Prepare the Outfit environment and the full `TrajectorySet` from the +/// Fink-like Parquet test file. +/// +/// This function: +/// 1. Loads DE440 via Outfit, +/// 2. Initializes the observer (ZTF Palomar I41), +/// 3. Reads all trajectories from the Parquet file, +/// 4. Returns the environment, the trajectory set, and all available IDs. +/// +/// This preparation is done **once** and reused across benchmark iterations. +fn prepare_env_parquet() -> (Outfit, TrajectorySet, Vec) { + // Create the Outfit environment using DE440. + let mut env_state = + Outfit::new("horizon:DE440", ErrorModel::FCCT14).expect("Outfit init (DE440)"); + + let path_file = Utf8Path::new("tests/data/mega_test.parquet"); + + // Using the Palomar/ZTF observer (MPC code I41). + let ztf_observer = env_state.get_observer_from_mpc_code(&"I41".into()); + + // Load all trajectories from the Parquet file. + // + // The last two parameters are the RA/Dec clipping radii used when building + // tangent-plane residuals. They are intentionally loose in this benchmark. + let traj_set = + TrajectorySet::new_from_parquet(&mut env_state, path_file, ztf_observer, 0.5, 0.5, None) + .expect("load TrajectorySet from Parquet"); + + // Collect all trajectory IDs. Assumes the underlying representation exposes `.keys()`. + let ids: Vec = traj_set.keys().cloned().collect(); + + (env_state, traj_set, ids) +} + +/// Benchmark the scaling of Gauss IOD across increasingly large batches of +/// **distinct trajectories**. +/// +/// Unlike micro-benchmarks which refit the same orbit repeatedly, this test +/// mimics a survey scenario: different objects, heterogeneous geometries, +/// and varying observation counts. +/// +/// This provides a more realistic estimation of the throughput one can expect +/// in daily survey operations. +fn bench_gauss_iod_parquet_batch_scaling(c: &mut Criterion) { + // Prepare environment and dataset once; reuse across all benchmark runs. + let (env0, traj0, all_ids) = prepare_env_parquet(); + let env = RefCell::new(env0); + let traj = RefCell::new(traj0); + + // Batch sizes (numbers of distinct trajectories per iteration). + // These remain moderate so the benchmark does not take too long. + let batch_sizes = [ + 1_usize, 4, 16, 64, 256, 512, 1024, 2048, 4096, 8192, 16384, //, 32768, 65536, 131072, + ]; + + let mut group = c.benchmark_group("gauss_iod_parquet_batch_scaling"); + group.sample_size(10); + + for &batch in &batch_sizes { + if batch > all_ids.len() { + continue; + } + + let name = format!("parquet_batch_{batch}"); + group.bench_function(&name, |b| { + b.iter_batched( + || (), // No heavy per-iteration setup needed + |_| { + let mut env_borrow = env.borrow_mut(); + let mut traj_borrow = traj.borrow_mut(); + + // Counters to ensure useful work is not optimized away. + let mut ok_count: usize = 0; + let mut err_count: usize = 0; + + // Fit orbits for the first `batch` trajectory IDs. + for id in all_ids.iter().take(batch) { + match run_iod(&mut env_borrow, &mut traj_borrow, id) { + Ok(result) => { + black_box(result); + ok_count += 1; + } + Err(err) => { + // Failures may occur depending on observation geometry. + black_box(&err); + err_count += 1; + } + } + } + + // Black-box the counters to prevent loop elimination. + black_box((ok_count, err_count)); + }, + BatchSize::SmallInput, + ) + }); + } + + group.finish(); +} + +#[cfg(feature = "parallel")] +mod iod_bench_parallel { + + use super::*; + use outfit::TrajectoryFit; + + /// Benchmark Gauss IOD using the parallel batch API over subsets of trajectories. + /// + /// For each `batch_size`, we build a `TrajectorySet` restricted to the first + /// `batch_size` objects (according to the ID list returned by `prepare_env_parquet`), + /// and run `estimate_all_orbits_in_batches_parallel` on that subset. + /// + /// This way, the x-axis ("batch size") represents the *number of trajectories* + /// processed, just like in the sequential benchmark. + pub fn bench_gauss_iod_parquet_parallel_batches(c: &mut Criterion) { + // Prepare environment, full dataset, and the full list of IDs once. + let (env0, traj0, all_ids) = prepare_env_parquet(); + let env = RefCell::new(env0); + + // Same batch sizes as the sequential benchmark so that comparisons are easy. + let batch_sizes = [ + 1_usize, 4, 16, 64, 256, 512, 1024, 2048, 4096, 8192, + 16384, // 32768, 65536, 131072, + ]; + + let mut group = c.benchmark_group("gauss_iod_parquet_parallel_batches"); + group.sample_size(10); + + for &batch_size in &batch_sizes { + // Skip if we don't have enough trajectories. + if batch_size > all_ids.len() { + continue; + } + + let name = format!("parquet_parallel_batch_{batch_size}"); + + // ---- Build a subset TrajectorySet with exactly `batch_size` trajectories ---- + // + // This is done once, *outside* Criterion's inner loop so that we are + // measuring the IOD cost only (not the cost of building the subset). + let selected_ids: Vec = + all_ids.iter().take(batch_size).cloned().collect(); + + let selected_set: std::collections::HashSet = + selected_ids.iter().cloned().collect(); + + // Clone the full set and retain only the selected trajectories. + let mut traj_subset = traj0.clone(); + traj_subset.retain(|obj_id, _obs| selected_set.contains(obj_id)); + + let traj = RefCell::new(traj_subset); + + // ---- Benchmark on the restricted subset ---- + group.bench_function(&name, |b| { + b.iter_batched( + || { + // Per-iteration setup: deterministic RNG + IOD parameters. + let rng = StdRng::seed_from_u64(42); + + let chunk_size = batch_size.min(64); + let params = IODParams::builder() + .n_noise_realizations(10) + .noise_scale(1.1) + .max_triplets(30) + .batch_size(chunk_size) + .build() + .expect("build IODParams"); + + (rng, params) + }, + |(mut rng, params)| { + let env_borrow = env.borrow(); + let mut traj_borrow = traj.borrow_mut(); + + let full_result = traj_borrow.estimate_all_orbits_in_batches_parallel( + &env_borrow, + &mut rng, + ¶ms, + ); + + // Black-box the result to avoid dead-code elimination. + black_box(full_result); + }, + BatchSize::SmallInput, + ) + }); + } + + group.finish(); + } +} + +#[cfg(feature = "parallel")] +criterion_group!( + gauss_parquet_benches, + bench_gauss_iod_parquet_batch_scaling, + iod_bench_parallel::bench_gauss_iod_parquet_parallel_batches, +); + +#[cfg(not(feature = "parallel"))] +criterion_group!(gauss_parquet_benches, bench_gauss_iod_parquet_batch_scaling,); + +criterion_main!(gauss_parquet_benches); diff --git a/benches/outfit_gauss_iod.rs b/benches/outfit_gauss_iod.rs index d9acdc2..2795862 100644 --- a/benches/outfit_gauss_iod.rs +++ b/benches/outfit_gauss_iod.rs @@ -18,7 +18,29 @@ mod benches_impl { use rand::rngs::StdRng; use rand::SeedableRng; - /// Run Gauss IOD on a single trajectory and return the best orbit + RMS. + /// Run Gauss Initial Orbit Determination on a single trajectory. + /// + /// This function: + /// - retrieves the mutable observation list for the given trajectory, + /// - builds a set of IOD parameters (noise realizations, triplet limits, …), + /// - calls [`ObservationIOD::estimate_best_orbit`] and returns the result. + /// + /// Arguments + /// ----------------- + /// * `env_state` - Mutable Outfit environment (DE ephemerides, settings, etc.). + /// * `traj_set` - Global trajectory set containing the observations. + /// * `traj_number` - ID of the trajectory to solve. + /// + /// Return + /// ---------- + /// * A `Result` containing `(GaussResult, rms)` if a valid orbit is found, + /// or an [`OutfitError`] if the IOD fails. + /// + /// See also + /// ------------ + /// * [`prepare_env`] - Helper to initialize the environment and trajectories. + /// * [`bench_gauss_iod_e2e`] - End-to-end benchmark on three trajectories. + /// * [`bench_gauss_iod_batch_scaling`] - Batch-scaling benchmark on the same set. fn run_iod( env_state: &mut Outfit, traj_set: &mut TrajectorySet, @@ -37,7 +59,34 @@ mod benches_impl { obs.estimate_best_orbit(env_state, &ErrorModel::FCCT14, &mut rng, ¶ms) } - /// Prepare environment with DE440 and 3 trajectories. + /// Prepare the Outfit environment (DE440) and a small set of test trajectories. + /// + /// This helper: + /// - instantiates an [`Outfit`] environment using the DE440 ephemeris, + /// - loads three 80-column observation files into a [`TrajectorySet`], + /// - returns the environment, the trajectory set, and the three IDs. + /// + /// The three objects are: + /// - `K09R05F` (corresponding to `2015AB.obs`), + /// - `8467`, + /// - `33803`. + /// + /// Arguments + /// ----------------- + /// * None. + /// + /// Return + /// ---------- + /// * A tuple `(env, set, ids)` where: + /// - `env` is the initialized [`Outfit`] environment, + /// - `set` is the [`TrajectorySet`] populated with the three objects, + /// - `ids` is the fixed array of [`ObjectNumber`] identifiers. + /// + /// See also + /// ------------ + /// * [`run_iod`] - Core IOD routine using this prepared environment. + /// * [`bench_gauss_iod_core`] - Reuses `env` but reloads trajectories each iteration. + /// * [`bench_gauss_iod_batch_scaling`] - Uses these same objects in round-robin. fn prepare_env() -> (Outfit, TrajectorySet, [ObjectNumber; 3]) { let mut env = Outfit::new("horizon:DE440", ErrorModel::FCCT14).expect("Outfit init"); @@ -55,7 +104,19 @@ mod benches_impl { (env, set, ids) } - /// End-to-end benchmark. + /// End-to-end benchmark on three real trajectories (full pipeline). + /// + /// This benchmark measures the cost of running Gauss IOD on all three + /// trajectories, including environment and trajectory set initialization. + /// + /// Arguments + /// ----------------- + /// * `c` - Criterion handle used to register the benchmark. + /// + /// See also + /// ------------ + /// * [`bench_gauss_iod_core`] - Reuses the environment and reloads data per iteration. + /// * [`bench_gauss_iod_batch_scaling`] - Scales the number of orbit fits per batch. pub fn bench_gauss_iod_e2e(c: &mut Criterion) { c.bench_function("gauss_iod_e2e_all", |b| { b.iter_batched( @@ -71,7 +132,25 @@ mod benches_impl { }); } - /// Core benchmark. + /// Core Gauss IOD benchmark: reuse environment, reload one trajectory per iteration. + /// + /// This benchmark keeps the [`Outfit`] environment in a shared [`RefCell`], + /// and repeatedly: + /// - rebuilds a `TrajectorySet` from `2015AB.obs`, + /// - runs Gauss IOD only on `K09R05F`. + /// + /// This isolates the cost of: + /// - loading a single trajectory from 80-column format, + /// - performing one orbit determination for this trajectory. + /// + /// Arguments + /// ----------------- + /// * `c` - Criterion handle used to register the benchmark. + /// + /// See also + /// ------------ + /// * [`bench_gauss_iod_e2e`] - End-to-end benchmark over three trajectories. + /// * [`bench_gauss_iod_batch_scaling`] - Varies the number of fits per batch. pub fn bench_gauss_iod_core(c: &mut Criterion) { let (env0, _set_once, _ids) = prepare_env(); let env = RefCell::new(env0); @@ -93,6 +172,42 @@ mod benches_impl { ) }); } + + /// Batch-scaling benchmark: N orbit fits per batch using the same 3 trajectories. + /// + /// This benchmark is useful to build "time per orbit-fit vs batch size" + /// plots. It reuses the three real objects (K09R05F, 8467, 33803) and + /// cycles through them in round-robin fashion for each batch. + /// + /// Arguments + /// ----------------- + /// * `c` - Criterion handle used to register the benchmark. + /// + /// See also + /// ------------ + /// * [`bench_gauss_iod_e2e`] - Baseline for full end-to-end performance. + /// * [`bench_gauss_iod_core`] - Focuses on a single trajectory reload + fit. + pub fn bench_gauss_iod_batch_scaling(c: &mut Criterion) { + // Test several batch sizes: reuse the same three objects in round-robin. + let batch_sizes = [1_usize, 2, 3, 6, 12, 24, 48, 96]; + + for &batch in &batch_sizes { + let name = format!("gauss_iod_batch_{batch}"); + c.bench_function(&name, |b| { + b.iter_batched( + prepare_env, + |(mut env, mut set, ids)| { + for i in 0..batch { + let id = &ids[i % ids.len()]; + let res = run_iod(&mut env, &mut set, id).expect("IOD"); + black_box(res); + } + }, + BatchSize::SmallInput, + ) + }); + } + } } #[cfg(feature = "jpl-download")] @@ -106,13 +221,15 @@ criterion_group!( .warm_up_time(std::time::Duration::from_secs(5)) .measurement_time(std::time::Duration::from_secs(25)) .with_plots(); - targets = benches_impl::bench_gauss_iod_e2e, benches_impl::bench_gauss_iod_core + targets = + benches_impl::bench_gauss_iod_e2e, + benches_impl::bench_gauss_iod_core, + benches_impl::bench_gauss_iod_batch_scaling ); #[cfg(feature = "jpl-download")] criterion_main!(benches); -// Fallback quand la feature est absente : fournit une main au crate. #[cfg(not(feature = "jpl-download"))] fn main() { eprintln!( diff --git a/joss_data/outfit_architecture.png b/joss_data/outfit_architecture.png deleted file mode 100644 index 077e0dfaf0edd8c131d13364aacec9920ef9e4e2..0000000000000000000000000000000000000000 GIT binary patch literal 0 HcmV?d00001 literal 739870 zcmZ^L2|U#6_dgRwRH7`CYLc|sMuvo%B2m_g>}2djC1go6b?c@KBC?ac5F=~Wwki9* zWvvL=DrDz>K4a~EfB)O-cHQDLpXYhbd7t-rpK~5hb=5PQHljDu(a~*EQj|YWN4L$I 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Accessed: 2026-01-08}, +} + +@software{maturin, + author = {PyO3 Admins and messense and konsti}, + title = {{maturin}: Build and publish Rust-based Python packages}, + url = {https://crates.io/crates/maturin}, + version = {1.11.0}, + description = {Command-line tool to build, package, and publish Rust crates as Python packages (wheels) with support for pyo3 and other bindings.}, + date = {2025}, + note = {Owners: Admins (github:pyo3:admins), messense, konsti; Accessed: 2026-01-08}, +} + +@Inbook{Williams1997, +author="Williams, Gareth V.", +title="V{\"a}is{\"a}l{\"a} orbit", +bookTitle="Encyclopedia of Planetary Science", +year="1997", +publisher="Springer Netherlands", +address="Dordrecht", +pages="875--876", +isbn="978-1-4020-4520-2", +doi="10.1007/1-4020-4520-4_432", +url="https://doi.org/10.1007/1-4020-4520-4_432" +} \ No newline at end of file diff --git a/joss_data/paper.md b/joss_data/paper.md index 8a25dbb..9139925 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -65,7 +65,7 @@ These examples provide small, reproducible entry points for validating behaviour ## Python bindings (pyOutfit) -Outfit is also exposed to Python via **pyOutfit[^pyoutfit]**, a binding built with PyO3 and distributed with maturin. It provides a thin, idiomatic Python interface to the Rust core, enabling integration in notebooks and Python pipelines. The binding is available on PyPI and ships precompiled Rust manylinux wheels for Python 3.10, 3.11, and 3.12. +Outfit is also exposed to Python via **pyOutfit[^pyoutfit]**, a binding built with PyO3 [@pyo3] and distributed with maturin [@maturin]. It provides a thin, idiomatic Python interface to the Rust core, enabling integration in notebooks and Python pipelines. The binding is available on PyPI and ships precompiled Rust manylinux wheels for Python 3.10, 3.11, and 3.12 at the time of writing. [^pyoutfit]: @@ -75,7 +75,7 @@ Project documentation is published on GitHub Pages using MkDocs Material, and th Outfit currently focuses on optical astrometry and provides initial orbit determination through the classical Gauss method. It does not yet support radar or radio observables, hyperbolic orbit fitting, or full least-squares refinement, and therefore cannot produce formal covariances or robust uncertainty estimates. In addition, while planetary ephemerides are fully integrated, the library does not yet expose a high-level API for generating predicted ephemerides from estimated orbits. -Future development will extend the IOD capabilities beyond Gauss, notably through the addition of a Väisälä solver and a full differential-corrections pipeline with covariance output. Support for hyperbolic trajectories will enable the analysis of interstellar candidates, and a unified API for orbit-based ephemeris prediction will facilitate downstream residual analysis. Longer-term plans include incorporating radar and Doppler measurements to complement optical data and broaden Outfit’s applicability across Solar System studies. +Future development will extend the IOD capabilities beyond Gauss, notably through the addition of a Väisälä solver [@Williams1997] and a full differential-corrections pipeline with covariance output. Support for hyperbolic trajectories will enable the analysis of interstellar candidates, and a unified API for orbit-based ephemeris prediction will facilitate downstream residual analysis. Longer-term plans include incorporating radar and Doppler measurements to complement optical data and broaden Outfit’s applicability across Solar System studies. # Acknowledgements From f5e3e0cffea1ed48efd73e076eb9bc18789a25e4 Mon Sep 17 00:00:00 2001 From: Roman Date: Fri, 27 Mar 2026 17:28:30 +0100 Subject: [PATCH 13/21] some changes regarding the paper (add some julien's suggestions) --- joss_data/paper.bib | 20 ++++++++++++-------- joss_data/paper.md | 7 +++---- 2 files changed, 15 insertions(+), 12 deletions(-) diff --git a/joss_data/paper.bib b/joss_data/paper.bib index ce07030..82aa900 100644 --- a/joss_data/paper.bib +++ b/joss_data/paper.bib @@ -42,13 +42,17 @@ @article{Fink_2020 pages = {3272–3288} } -@misc{OrbFit, - title = {OrbFit: Astrometric orbit determination software}, - year = {2025}, - author = {Milani, A. and Gronchi, G. F. and others}, - howpublished = {Software package}, - url = {https://adams.dm.unipi.it/orbfit/}, - note = {Accessed: 2025-12-05} +@software{OrbFit, + author = {{Orbfit Consortium}}, + title = "{OrbFit: Software to Determine Orbits of Asteroids}", + howpublished = {Astrophysics Source Code Library, record ascl:1106.015}, + year = 2011, + month = jun, + eid = {ascl:1106.015}, +archivePrefix = {ascl}, + eprint = {1106.015}, + adsurl = {https://ui.adsabs.harvard.edu/abs/2011ascl.soft06015O}, + adsnote = {Provided by the SAO/NASA Astrophysics Data System} } @misc{FindOrb, @@ -56,7 +60,7 @@ @misc{FindOrb title = {Find\_Orb: Orbit Determination Software}, howpublished = {\url{https://www.projectpluto.com/find_orb.htm}}, note = {Accessed: 2025-02-12}, - year = {2025} + year = {2000} } diff --git a/joss_data/paper.md b/joss_data/paper.md index 9139925..c74a314 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -22,7 +22,7 @@ bibliography: paper.bib # Summary -The NSF-DOE Vera C. Rubin Observatory [@LSST_from_science_to_design] will conduct the Legacy Survey of Space and Time (LSST), which will produce an unprecedented optical alert stream exceeding ten million alerts per night. A substantial fraction of these alerts will correspond to moving Solar System objects. LSST is expected to increase the number of known asteroids by at least an order of magnitude—from roughly 1.3 million today to several million new discoveries over the survey lifetime [@rubinobservatorylsstsolarsystemsciencecollaboration2020scientificimpactverac]. Handling this volume requires fast and reliable tools to read astrometric observations and estimate preliminary orbits automatically. +The NSF-DOE Vera C. Rubin Observatory [@LSST_from_science_to_design] conducts the Legacy Survey of Space and Time (LSST), which produces an unprecedented optical alert stream exceeding ten million alerts per night. A substantial fraction of these alerts corresponds to moving Solar System objects. LSST is expected to increase the number of known asteroids by at least an order of magnitude—from roughly 1.3 million today to several million new discoveries over the survey lifetime [@rubinobservatorylsstsolarsystemsciencecollaboration2020scientificimpactverac]. Handling this volume requires fast and reliable tools to read astrometric observations and estimate preliminary orbits automatically. Alert brokers such as Fink [@Fink_2020] receive the LSST alert stream ahead of all other users and classify alerts in real time. Their position at the earliest stage of data dissemination places them on the front line for recognising and flagging previously unknown asteroids. Early identification of such objects improves alert classification, enables rapid computation of ephemerides for follow-up, and supports linking future detections to newly derived orbits. It also allows brokers to filter out moving objects when searching for fast optical transients, an important capability for multi-messenger astronomy. @@ -41,7 +41,7 @@ However, the software landscape in which these tools operate is changing. Modern ## Functionality -Outfit transforms raw astrometric observations into preliminary orbital solutions for small Solar System bodies and propagates these solutions to other epochs. It combines robust input handling, explicit modelling of observatories and reference frames, and classical initial-orbit-determination algorithms in a form suited to automated, high-throughput pipelines. +Outfit transforms raw astrometric observations into preliminary orbital solutions for small Solar System bodies and propagates these solutions to other epochs. It combines robust input handling, explicit modelling of observatories and reference frames, and classical initial orbit determination (IOD) algorithms in a form suited to automated, high-throughput pipelines. Designed primarily as an embeddable library, Outfit accepts observations directly as in-memory batches generated upstream, enabling programmatic orbit fitting without external executables or temporary files. For interoperability with existing workflows, it also ingests standard formats—including MPC 80-column [@MPC80col], ADES XML [@ADES], and columnar layouts such as Parquet/Arrow [@Arrow; @Parquet]—with validation and time-scale normalisation performed on load. @@ -79,7 +79,6 @@ Future development will extend the IOD capabilities beyond Gauss, notably throug # Acknowledgements -We acknowledge the maintainers of OrbFit for foundational work in preliminary orbit determination, the JPL Horizons/NAIF teams for ephemerides and kernels, and contributors and users who provided feedback on API ergonomics and tests. Development benefited from the Rust ecosystem and libraries cited. +We acknowledge the maintainers of OrbFit for foundational work in preliminary orbit determination, the JPL Horizons/NAIF teams for ephemerides and kernels, and contributors. Development benefited from the Rust ecosystem and libraries cited. # References - From cc94be8c25f5329c6e17ecbb8b73604a8212ae69 Mon Sep 17 00:00:00 2001 From: Roman Date: Tue, 31 Mar 2026 15:28:33 +0200 Subject: [PATCH 14/21] add julien affiliation, add reference to Lemontagner_et_al._2023 --- joss_data/paper.bib | 14 +++++++++++++- joss_data/paper.md | 5 ++++- 2 files changed, 17 insertions(+), 2 deletions(-) diff --git a/joss_data/paper.bib b/joss_data/paper.bib index 82aa900..db2b062 100644 --- a/joss_data/paper.bib +++ b/joss_data/paper.bib @@ -229,4 +229,16 @@ @Inbook{Williams1997 isbn="978-1-4020-4520-2", doi="10.1007/1-4020-4520-4_432", url="https://doi.org/10.1007/1-4020-4520-4_432" -} \ No newline at end of file +} + +@article{Le_Montagner_2023, + title={Enabling discoveries of Solar System objects in large alert data streams}, + volume={680}, + ISSN={1432-0746}, + url={http://dx.doi.org/10.1051/0004-6361/202346905}, + DOI={10.1051/0004-6361/202346905}, + journal={Astronomy & Astrophysics}, + publisher={EDP Sciences}, + author={Le Montagner, R. and Peloton, J. and Carry, B. and Desmars, J. and Hestroffer, D. and Mendez, R. A. and Perlbarg, A. C. and Thuillot, W.}, + year={2023}, + month=dec, pages={A17} } diff --git a/joss_data/paper.md b/joss_data/paper.md index c74a314..4f86031 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -13,6 +13,9 @@ authors: - name: Hadrien Grasland orcid: 0000-0003-3379-7100 affiliation: "1" + - name: Julien Peloton + orcid: 0000-0002-8560-4449 + affiliation: "1" affiliations: - index: 1 name: Université Paris-Saclay, CNRS/IN2P3, IJCLab, 91405 Orsay, France @@ -30,7 +33,7 @@ Alert brokers such as Fink [@Fink_2020] receive the LSST alert stream ahead of a Preliminary orbit determination is a foundational step in Solar System science. Researchers, survey teams, alert brokers, and even advanced amateur observers rely on software that can ingest astrometric measurements and rapidly estimate orbits for newly detected objects. Within the astronomical community, tools such as OrbFit [@OrbFit] or Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. They remain widely used in observatories and research groups around the world. -However, the software landscape in which these tools operate is changing. Modern surveys, real-time alert brokers, and large-scale data-processing systems require libraries that can be integrated directly into automated workflows, support programmatic access, and operate reliably at scale. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. +However, the software landscape in which these tools operate is changing. Modern surveys, real-time alert brokers, and large-scale data-processing systems require libraries that can be integrated directly into automated workflows, support programmatic access, and operate reliably at scale. The friction introduced by executable-based tools in such contexts is well illustrated by [@Le_Montagner_2023], where fitting hundreds of thousands of trajectory hypotheses with OrbFit required invoking a Fortran executable through Python system calls dispatched via Apache Spark—an approach that proved far too cumbersome for this kind of workload. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. **Outfit[^outfit]** was created to meet this need. It provides a modern, open-source library for preliminary orbit determination that can be called directly from within automated pipelines, allowing users to process observations in memory and estimate orbits without relying on external executables. By offering a clear and well-tested programming interface, Outfit enables the community to integrate classical orbit-determination techniques into contemporary survey pipelines and alert-broker infrastructures, ensuring that these methods remain accessible and usable as astronomical data volumes continue to grow. From 2dba956d4d2d15c616107553ce6f0fb4f3c5cb96 Mon Sep 17 00:00:00 2001 From: Roman Date: Tue, 31 Mar 2026 15:35:41 +0200 Subject: [PATCH 15/21] add spark citation --- joss_data/paper.bib | 19 +++++++++++++++++++ joss_data/paper.md | 2 +- 2 files changed, 20 insertions(+), 1 deletion(-) diff --git a/joss_data/paper.bib b/joss_data/paper.bib index db2b062..bdc76fe 100644 --- a/joss_data/paper.bib +++ b/joss_data/paper.bib @@ -242,3 +242,22 @@ @article{Le_Montagner_2023 author={Le Montagner, R. and Peloton, J. and Carry, B. and Desmars, J. and Hestroffer, D. and Mendez, R. A. and Perlbarg, A. C. and Thuillot, W.}, year={2023}, month=dec, pages={A17} } + +@article{10.1145/2934664, +author = {Zaharia, Matei and Xin, Reynold S. and Wendell, Patrick and Das, Tathagata and Armbrust, Michael and Dave, Ankur and Meng, Xiangrui and Rosen, Josh and Venkataraman, Shivaram and Franklin, Michael J. and Ghodsi, Ali and Gonzalez, Joseph and Shenker, Scott and Stoica, Ion}, +title = {Apache Spark: a unified engine for big data processing}, +year = {2016}, +issue_date = {November 2016}, +publisher = {Association for Computing Machinery}, +address = {New York, NY, USA}, +volume = {59}, +number = {11}, +issn = {0001-0782}, +url = {https://doi.org/10.1145/2934664}, +doi = {10.1145/2934664}, +abstract = {This open source computing framework unifies streaming, batch, and interactive big data workloads to unlock new applications.}, +journal = {Commun. ACM}, +month = oct, +pages = {56–65}, +numpages = {10} +} \ No newline at end of file diff --git a/joss_data/paper.md b/joss_data/paper.md index 4f86031..c1b4de9 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -33,7 +33,7 @@ Alert brokers such as Fink [@Fink_2020] receive the LSST alert stream ahead of a Preliminary orbit determination is a foundational step in Solar System science. Researchers, survey teams, alert brokers, and even advanced amateur observers rely on software that can ingest astrometric measurements and rapidly estimate orbits for newly detected objects. Within the astronomical community, tools such as OrbFit [@OrbFit] or Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. They remain widely used in observatories and research groups around the world. -However, the software landscape in which these tools operate is changing. Modern surveys, real-time alert brokers, and large-scale data-processing systems require libraries that can be integrated directly into automated workflows, support programmatic access, and operate reliably at scale. The friction introduced by executable-based tools in such contexts is well illustrated by [@Le_Montagner_2023], where fitting hundreds of thousands of trajectory hypotheses with OrbFit required invoking a Fortran executable through Python system calls dispatched via Apache Spark—an approach that proved far too cumbersome for this kind of workload. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. +However, the software landscape in which these tools operate is changing. Modern surveys, real-time alert brokers, and large-scale data-processing systems require libraries that can be integrated directly into automated workflows, support programmatic access, and operate reliably at scale. The friction introduced by executable-based tools in such contexts is well illustrated by [@Le_Montagner_2023], where fitting hundreds of thousands of trajectory hypotheses with OrbFit required invoking a Fortran executable through Python system calls dispatched via Apache Spark [@10.1145/2934664]—an approach that proved far too cumbersome for this kind of workload. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. **Outfit[^outfit]** was created to meet this need. It provides a modern, open-source library for preliminary orbit determination that can be called directly from within automated pipelines, allowing users to process observations in memory and estimate orbits without relying on external executables. By offering a clear and well-tested programming interface, Outfit enables the community to integrate classical orbit-determination techniques into contemporary survey pipelines and alert-broker infrastructures, ensuring that these methods remain accessible and usable as astronomical data volumes continue to grow. From adbfb49e9b3fff7baea07433b3a744a82d35319f Mon Sep 17 00:00:00 2001 From: Roman Date: Tue, 31 Mar 2026 15:44:27 +0200 Subject: [PATCH 16/21] fix a benchmark using a non comitted file --- benches/iod_batch_diff.rs | 8 +++++--- 1 file changed, 5 insertions(+), 3 deletions(-) diff --git a/benches/iod_batch_diff.rs b/benches/iod_batch_diff.rs index 600760d..8646be1 100644 --- a/benches/iod_batch_diff.rs +++ b/benches/iod_batch_diff.rs @@ -3,8 +3,8 @@ //! //! # Overview //! -//! This benchmark loads `tests/data/test_from_fink.parquet`, builds a -//! `TrajectorySet`, and evaluates the performance of Gauss IOD across +//! This benchmark loads a Parquet dataset, builds a `TrajectorySet`, and +//! evaluates the performance of Gauss IOD across //! increasing batch sizes of *distinct* trajectories (survey-like scenario). //! //! The goal is to estimate the average cost per orbit-fit when processing @@ -91,7 +91,9 @@ fn prepare_env_parquet() -> (Outfit, TrajectorySet, Vec) { let mut env_state = Outfit::new("horizon:DE440", ErrorModel::FCCT14).expect("Outfit init (DE440)"); - let path_file = Utf8Path::new("tests/data/mega_test.parquet"); + let path_file = std::env::var("OUTFIT_IOD_BATCH_DIFF_PARQUET") + .unwrap_or_else(|_| "tests/data/test_from_fink.parquet".to_string()); + let path_file = Utf8Path::new(&path_file); // Using the Palomar/ZTF observer (MPC code I41). let ztf_observer = env_state.get_observer_from_mpc_code(&"I41".into()); From fcb11e645aef2f914ff9b8d9ffd18445396fb0e4 Mon Sep 17 00:00:00 2001 From: Roman Date: Wed, 1 Apr 2026 10:10:05 +0200 Subject: [PATCH 17/21] align the paper on last joss format update --- joss_data/paper.bib | 26 +++++++++++++++++++++ joss_data/paper.md | 55 ++++++++++++++++++++++++++------------------- 2 files changed, 58 insertions(+), 23 deletions(-) diff --git a/joss_data/paper.bib b/joss_data/paper.bib index bdc76fe..160b764 100644 --- a/joss_data/paper.bib +++ b/joss_data/paper.bib @@ -63,6 +63,21 @@ @misc{FindOrb year = {2000} } +@article{Berres_2022, +doi = {10.3847/2515-5172/ac8e08}, +url = {https://doi.org/10.3847/2515-5172/ac8e08}, +year = {2022}, +month = {sep}, +publisher = {The American Astronomical Society}, +volume = {6}, +number = {9}, +pages = {174}, +author = {Berres, Aidan and Greenstreet, Sarah and Moeyens, Joachim and Jurić, Mario and Lu, Edward}, +title = {Orb_It: A Validation Package for Orbit Integrators}, +journal = {Research Notes of the AAS}, +abstract = {We present a testing platform and package that can validate the accuracy of an orbit integrator. Orb_It is written in Python and is capable of validating the most heavily used orbital integrators such as Find_Orb, OpenOrb, and OrbFit. Orb_It performs an “end-to-end” test of each integrator to check for internal consistency of the integrators functions. For a given objects state vector and epoch, Orb_It uses a user-specified integrator to generate the objects ephemeris for a specified time range and observer, uses those ephemerides as observations to fit an orbit, and then compares that fitted orbit to the original input state vector propagated to the fitted orbits epoch. This allows users to understand the internal accuracy of each integrator. This testing suite and package can be found on GitHub with a demo on Binder (https://github.com/B612-Asteroid-Institute/orb_it).} +} + @misc{MPC80col, title = {Minor Planet Center Optical Observations: 80-column format}, @@ -128,6 +143,17 @@ @misc{rust note = {Accessed: 2025-12-05} } +@book{rust_book, + author = {Klabnik, Steve and Nichols, Carol}, + title = {The Rust Programming Language}, + year = {2018}, + publisher = {No Starch Press}, + isbn = {978-1-59327-828-1}, + howpublished = {Online book}, + url = {https://doc.rust-lang.org/book/}, + note = {Accessed: 2026-04-01} +} + @misc{nalgebra, author = {Crozet, S. and Dimforge Contributors}, title = {nalgebra: Linear algebra library for Rust}, diff --git a/joss_data/paper.md b/joss_data/paper.md index c1b4de9..08cc019 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -29,56 +29,65 @@ The NSF-DOE Vera C. Rubin Observatory [@LSST_from_science_to_design] conducts th Alert brokers such as Fink [@Fink_2020] receive the LSST alert stream ahead of all other users and classify alerts in real time. Their position at the earliest stage of data dissemination places them on the front line for recognising and flagging previously unknown asteroids. Early identification of such objects improves alert classification, enables rapid computation of ephemerides for follow-up, and supports linking future detections to newly derived orbits. It also allows brokers to filter out moving objects when searching for fast optical transients, an important capability for multi-messenger astronomy. +**Outfit[^outfit]** is a software library that performs these calculations automatically. It reads standardised observation records, applies classical orbit-determination algorithms, and returns preliminary orbital solutions that can be used for object identification, follow-up planning, and alert classification. Outfit is designed to be embedded directly into automated data-processing pipelines, enabling real-time analysis of large-scale survey data. + +[^outfit]: + # Statement of need -Preliminary orbit determination is a foundational step in Solar System science. Researchers, survey teams, alert brokers, and even advanced amateur observers rely on software that can ingest astrometric measurements and rapidly estimate orbits for newly detected objects. Within the astronomical community, tools such as OrbFit [@OrbFit] or Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. They remain widely used in observatories and research groups around the world. +Preliminary orbit determination is a foundational step in Solar System science. Researchers, survey teams, alert brokers, and even advanced amateur observers rely on software that can ingest astrometric measurements and rapidly estimate orbits for newly detected objects. -However, the software landscape in which these tools operate is changing. Modern surveys, real-time alert brokers, and large-scale data-processing systems require libraries that can be integrated directly into automated workflows, support programmatic access, and operate reliably at scale. The friction introduced by executable-based tools in such contexts is well illustrated by [@Le_Montagner_2023], where fitting hundreds of thousands of trajectory hypotheses with OrbFit required invoking a Fortran executable through Python system calls dispatched via Apache Spark [@10.1145/2934664]—an approach that proved far too cumbersome for this kind of workload. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. +Modern surveys operate at unprecedented scales, and their data-processing infrastructures require software components that are composable, reliable, and easy to integrate programmatically. Developers building next-generation pipelines need open-source components that are composable, reproducible, and easy to embed within larger scientific software stacks—whether for nightly survey operations, real-time alert classification, or educational and citizen-science applications. -**Outfit[^outfit]** was created to meet this need. It provides a modern, open-source library for preliminary orbit determination that can be called directly from within automated pipelines, allowing users to process observations in memory and estimate orbits without relying on external executables. By offering a clear and well-tested programming interface, Outfit enables the community to integrate classical orbit-determination techniques into contemporary survey pipelines and alert-broker infrastructures, ensuring that these methods remain accessible and usable as astronomical data volumes continue to grow. +Outfit addresses this need by providing a modern library interface for preliminary orbit determination. It allows users to process observations in memory and estimate orbits programmatically, making classical orbit-determination methods accessible and usable within contemporary survey pipelines and alert-broker infrastructures. This design is particularly important for real-time systems such as Fink [@Fink_2020], which receive the LSST alert stream ahead of all other users and must classify alerts within seconds. Early identification of moving objects improves alert classification, enables rapid computation of ephemerides for follow-up, supports linking future detections to newly derived orbits, and allows brokers to filter out asteroids when searching for fast optical transients—an important capability for multi-messenger astronomy. -[^outfit]: +# State of the field +Within the astronomical community, tools such as OrbFit [@OrbFit] and Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. OrbFit, developed in Fortran, is a mature and rigorously validated tool that has been widely adopted in observatories and research institutions. Find_Orb, implemented in C, is similarly well established and provides comparable functionality. Both tools are distributed as standalone executables that read input files and write output files, a design pattern that has served the community well for decades. Recent validation efforts such as Orb_It [@orb_it] provide end-to-end testing frameworks for these tools, confirming their internal consistency and accuracy. -# Software description +However, these tools were not designed for programmatic integration into automated pipelines. Invoking them from within a larger application requires launching external processes, writing temporary input files, parsing textual output, and managing inter-process communication—all sources of friction that become significant bottlenecks at the scales required by modern surveys. Furthermore, neither tool exposes a library API that would allow direct in-memory processing. -## Functionality +While OrbFit and Find_Orb remain the gold standard for scientific accuracy and validation, their executable-based design makes them ill-suited for the use cases Outfit targets. Rather than contribute additional features to these existing tools, we chose to build a new library from the ground up with a different architectural philosophy: an embeddable, memory-safe library with a clear API designed for automated workflows. This design choice represents a meaningful scholarly contribution, as it enables classical orbit-determination methods to be integrated into modern data-processing systems that would otherwise struggle to adopt executable-based tools. -Outfit transforms raw astrometric observations into preliminary orbital solutions for small Solar System bodies and propagates these solutions to other epochs. It combines robust input handling, explicit modelling of observatories and reference frames, and classical initial orbit determination (IOD) algorithms in a form suited to automated, high-throughput pipelines. +# Software design -Designed primarily as an embeddable library, Outfit accepts observations directly as in-memory batches generated upstream, enabling programmatic orbit fitting without external executables or temporary files. For interoperability with existing workflows, it also ingests standard formats—including MPC 80-column [@MPC80col], ADES XML [@ADES], and columnar layouts such as Parquet/Arrow [@Arrow; @Parquet]—with validation and time-scale normalisation performed on load. +The architecture of Outfit reflects a deliberate set of trade-offs made to balance scientific accuracy, computational performance, and ease of integration. The most fundamental design decision was to implement Outfit as a library rather than an executable. This choice prioritises programmatic access over interactive use, enabling developers to embed orbit-determination capabilities directly into their applications without inter-process communication overhead. -Initial orbit determination follows the classical Gauss method on triplets of optical observations. The solver performs iterative refinement, numerical and geometric acceptability checks, and RMS residual evaluation. The eighth-degree polynomial arising in Gauss’s formulation is solved using an Aberth–Ehrlich method (via the aberth crate [@Aberth]), ensuring stable and efficient root finding. Observatory geometry is handled explicitly via MPC codes or geodetic coordinates, which are converted into consistent geocentric and topocentric frames. +Outfit is implemented in Rust [@rust_book], a programming language that provides memory safety without garbage collection and zero-cost abstractions for performance-critical code. This choice was motivated by the need for both speed and reliability in a library intended for automated, high-throughput pipelines. Rust's ownership system eliminates entire classes of runtime errors (null pointer dereferences, use-after-free, data races) without imposing runtime overhead, making it well-suited for scientific computing applications that must be both fast and correct. -Core numerical operations rely on nalgebra [@nalgebra] for efficient linear-algebra routines. Outfit supports multiple orbital element representations (Keplerian, equinoctial, and cometary), two-body propagation, and planetary ephemerides from JPL DE kernels (e.g., DE440) [@DE440; @NAIF]. Time handling uses hifitime [@hifitime] for consistent UTC/TT/TDB conversions. +The library accepts observations directly as in-memory data structures, avoiding file I/O in the critical path. For interoperability with existing workflows, Outfit also supports standard formats including MPC 80-column [@MPC80col], ADES XML [@ADES], and columnar layouts such as Parquet/Arrow [@Arrow; @Parquet]. These parsers perform validation and time-scale normalisation on load, ensuring that downstream orbit-fitting code operates on consistently formatted data. -For survey-scale workloads, Outfit provides batched—and optionally parallel—processing of trajectories. Parallelism is implemented with Rayon [@rayon], allowing multi-core evaluation of independent orbit fits while preserving deterministic behaviour when required. This design lets users tune memory use and throughput effectively across a wide range of data volumes. +Initial orbit determination follows the classical Gauss method on triplets of optical observations. The solver performs iterative refinement with numerical and geometric acceptability checks, evaluating RMS residuals to assess fit quality. The eighth-degree polynomial arising in Gauss's formulation is solved using an Aberth–Ehrlich root-finding method (via the aberth crate [@Aberth]), which provides numerical stability and efficiency. Observatory geometry is handled explicitly via MPC codes or geodetic coordinates, converted into consistent geocentric and topocentric reference frames. Outfit supports multiple orbital element representations (Keplerian, equinoctial, and cometary), two-body propagation, and planetary ephemerides from JPL DE kernels (e.g., DE440) [@DE440; @NAIF]. Time handling uses the hifitime library [@hifitime] for consistent UTC/TT/TDB conversions. -## Quality, documentation, and testing +For survey-scale workloads, Outfit provides batched and optionally parallel processing of trajectories. Parallelism is implemented with Rayon [@rayon], allowing multi-core evaluation of independent orbit fits while preserving deterministic behaviour when required. This design lets users tune memory use and throughput effectively across a wide range of data volumes. Core numerical operations rely on nalgebra [@nalgebra] for efficient linear-algebra routines, leveraging a mature and well-tested foundation for vector and matrix operations. -Outfit includes unit, integration, and property-based tests covering parsing, observer handling, Gauss IOD, and trajectory batching, as well as regression tests on real astrometric datasets (e.g., 2015AB, 8467, 33803) to ensure numerical stability. Continuous integration enforces automated testing, coverage tracking, and semantic-versioning checks[@SemVer]. The repository includes additional guides and a versioned changelog [@KeepAChangelog]. +To maximise accessibility, Outfit is also exposed to Python via **pyOutfit[^pyoutfit]**, a binding built with PyO3 [@pyo3] and distributed with maturin [@maturin]. This provides a thin, idiomatic Python interface to the Rust core, enabling integration in notebooks and Python-based pipelines. The binding is available on PyPI and ships precompiled manylinux wheels for Python 3.10, 3.11, and 3.12 at the time of writing. Project documentation is published on GitHub Pages using MkDocs Material, and the public API is type-annotated via .pyi stub files to improve IDE completion and static type checking. -Documentation is available on docs.rs and supported by runnable examples demonstrating end-to-end usage, such as reading Parquet observations and running Gauss IOD: +[^pyoutfit]: -```bash -cargo run --release --example parquet_to_orbit --features "jpl-download" -``` +These design choices matter for research applications because they enable orbit determination to be embedded directly into real-time alert classification systems (such as Fink), distributed computing frameworks (such as Apache Spark), and other automated pipelines where launching external executables would introduce unacceptable latency or complexity. By providing a library interface with low integration friction, Outfit makes classical orbit-determination methods accessible to a broader range of research workflows. -These examples provide small, reproducible entry points for validating behaviour. +# Research impact statement -## Python bindings (pyOutfit) +Outfit has demonstrated realized impact through integration into operational research infrastructure and scholarly publication. The library is actively used within the Fink broker [@Fink_2020], which processes the LSST alert stream in real time and serves as a critical component of the survey's early data-dissemination pipeline. This operational deployment validates Outfit's design for high-throughput, low-latency applications. -Outfit is also exposed to Python via **pyOutfit[^pyoutfit]**, a binding built with PyO3 [@pyo3] and distributed with maturin [@maturin]. It provides a thin, idiomatic Python interface to the Rust core, enabling integration in notebooks and Python pipelines. The binding is available on PyPI and ships precompiled Rust manylinux wheels for Python 3.10, 3.11, and 3.12 at the time of writing. +The research need that motivated Outfit's development is documented in [@Le_Montagner_2023], which used OrbFit to fit tens of thousands of trajectory hypotheses by invoking the Fortran executable through Apache Spark across multiple compute nodes—a workflow that required dozens of CPU cores and took several minutes to complete. With Outfit's library interface, the same analysis runs in seconds on a single multi-core machine, demonstrating the performance gains enabled by in-memory processing and eliminating the overhead of inter-process communication and file I/O. -[^pyoutfit]: +To ensure numerical reliability, Outfit includes regression tests on real astrometric datasets (2015AB, 8467, 33803) that validate orbit-fitting accuracy against known solutions returned by OrbFit. These tests run automatically in continuous integration and serve as a reproducible benchmark for the library's correctness. The library is distributed on crates.io (the Rust package registry) and PyPI (the Python Package Index), with precompiled binaries for multiple platforms, lowering the barrier to adoption. Documentation is available on docs.rs and GitHub Pages, and the repository includes runnable examples demonstrating end-to-end usage: + +```bash +cargo run --release --example parquet_to_orbit --features "jpl-download" +``` + +# AI usage disclosure -Project documentation is published on GitHub Pages using MkDocs Material, and the public API is type‑annotated via .pyi stub files to improve IDE completion and static type checking. Examples mirror the Rust examples to ease cross‑language adoption. The package includes a test suite, and the documentation examples are sourced from Python files and executed automatically in continuous integration to keep the documentation accurate and up to date. +GitHub Copilot's auto-completion feature was used in VS Code during implementation, and the GitHub Copilot coding agent assisted with writing testing infrastructure, documentation, and refactoring. AI-assisted language editing was used to improve wording and clarity in parts of the manuscript. All code and text generated or modified by AI tools was carefully reviewed and proofread by the authors, and all AI-generated code was extensively tested. # Limitations and future work Outfit currently focuses on optical astrometry and provides initial orbit determination through the classical Gauss method. It does not yet support radar or radio observables, hyperbolic orbit fitting, or full least-squares refinement, and therefore cannot produce formal covariances or robust uncertainty estimates. In addition, while planetary ephemerides are fully integrated, the library does not yet expose a high-level API for generating predicted ephemerides from estimated orbits. -Future development will extend the IOD capabilities beyond Gauss, notably through the addition of a Väisälä solver [@Williams1997] and a full differential-corrections pipeline with covariance output. Support for hyperbolic trajectories will enable the analysis of interstellar candidates, and a unified API for orbit-based ephemeris prediction will facilitate downstream residual analysis. Longer-term plans include incorporating radar and Doppler measurements to complement optical data and broaden Outfit’s applicability across Solar System studies. +Future development will extend the IOD capabilities beyond Gauss, notably through the addition of a Väisälä solver [@Williams1997] and a full differential-corrections pipeline with covariance output. Support for hyperbolic trajectories will enable the analysis of interstellar candidates, and a unified API for orbit-based ephemeris prediction will facilitate downstream residual analysis. # Acknowledgements From c269d6c12469bcc8bd0ff8b30d383df50294a742 Mon Sep 17 00:00:00 2001 From: Roman Date: Wed, 1 Apr 2026 10:19:05 +0200 Subject: [PATCH 18/21] add missing declaration for IOD --- joss_data/paper.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index 08cc019..757e5c6 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -57,7 +57,7 @@ Outfit is implemented in Rust [@rust_book], a programming language that provides The library accepts observations directly as in-memory data structures, avoiding file I/O in the critical path. For interoperability with existing workflows, Outfit also supports standard formats including MPC 80-column [@MPC80col], ADES XML [@ADES], and columnar layouts such as Parquet/Arrow [@Arrow; @Parquet]. These parsers perform validation and time-scale normalisation on load, ensuring that downstream orbit-fitting code operates on consistently formatted data. -Initial orbit determination follows the classical Gauss method on triplets of optical observations. The solver performs iterative refinement with numerical and geometric acceptability checks, evaluating RMS residuals to assess fit quality. The eighth-degree polynomial arising in Gauss's formulation is solved using an Aberth–Ehrlich root-finding method (via the aberth crate [@Aberth]), which provides numerical stability and efficiency. Observatory geometry is handled explicitly via MPC codes or geodetic coordinates, converted into consistent geocentric and topocentric reference frames. Outfit supports multiple orbital element representations (Keplerian, equinoctial, and cometary), two-body propagation, and planetary ephemerides from JPL DE kernels (e.g., DE440) [@DE440; @NAIF]. Time handling uses the hifitime library [@hifitime] for consistent UTC/TT/TDB conversions. +Initial orbit determination (IOD) follows the classical Gauss method on triplets of optical observations. The solver performs iterative refinement with numerical and geometric acceptability checks, evaluating RMS residuals to assess fit quality. The eighth-degree polynomial arising in Gauss's formulation is solved using an Aberth–Ehrlich root-finding method (via the aberth crate [@Aberth]), which provides numerical stability and efficiency. Observatory geometry is handled explicitly via MPC codes or geodetic coordinates, converted into consistent geocentric and topocentric reference frames. Outfit supports multiple orbital element representations (Keplerian, equinoctial, and cometary), two-body propagation, and planetary ephemerides from JPL DE kernels (e.g., DE440) [@DE440; @NAIF]. Time handling uses the hifitime library [@hifitime] for consistent UTC/TT/TDB conversions. For survey-scale workloads, Outfit provides batched and optionally parallel processing of trajectories. Parallelism is implemented with Rayon [@rayon], allowing multi-core evaluation of independent orbit fits while preserving deterministic behaviour when required. This design lets users tune memory use and throughput effectively across a wide range of data volumes. Core numerical operations rely on nalgebra [@nalgebra] for efficient linear-algebra routines, leveraging a mature and well-tested foundation for vector and matrix operations. From 0d0ffd0d8221e5d79fc25e2b5c8f945010405e0c Mon Sep 17 00:00:00 2001 From: Roman Date: Wed, 1 Apr 2026 11:28:59 +0200 Subject: [PATCH 19/21] fix broken ref to Orb_it --- joss_data/paper.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index 757e5c6..09fb79c 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -43,7 +43,7 @@ Outfit addresses this need by providing a modern library interface for prelimina # State of the field -Within the astronomical community, tools such as OrbFit [@OrbFit] and Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. OrbFit, developed in Fortran, is a mature and rigorously validated tool that has been widely adopted in observatories and research institutions. Find_Orb, implemented in C, is similarly well established and provides comparable functionality. Both tools are distributed as standalone executables that read input files and write output files, a design pattern that has served the community well for decades. Recent validation efforts such as Orb_It [@orb_it] provide end-to-end testing frameworks for these tools, confirming their internal consistency and accuracy. +Within the astronomical community, tools such as OrbFit [@OrbFit] and Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. OrbFit, developed in Fortran, is a mature and rigorously validated tool that has been widely adopted in observatories and research institutions. Find_Orb, implemented in C, is similarly well established and provides comparable functionality. Both tools are distributed as standalone executables that read input files and write output files, a design pattern that has served the community well for decades. Recent validation efforts such as Orb_It [@Berres_2022] provide end-to-end testing frameworks for these tools, confirming their internal consistency and accuracy. However, these tools were not designed for programmatic integration into automated pipelines. Invoking them from within a larger application requires launching external processes, writing temporary input files, parsing textual output, and managing inter-process communication—all sources of friction that become significant bottlenecks at the scales required by modern surveys. Furthermore, neither tool exposes a library API that would allow direct in-memory processing. From de393e612ba032b68ae882cbba9b9d09cd43f134 Mon Sep 17 00:00:00 2001 From: Roman Date: Wed, 1 Apr 2026 11:55:59 +0200 Subject: [PATCH 20/21] add link to asteroid test object, remove use of word friction by sources of complexity and runtime overhead --- joss_data/paper.md | 8 ++++++-- 1 file changed, 6 insertions(+), 2 deletions(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index 09fb79c..da0179c 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -45,7 +45,7 @@ Outfit addresses this need by providing a modern library interface for prelimina Within the astronomical community, tools such as OrbFit [@OrbFit] and Find_Orb [@FindOrb] have long played an essential role by providing scientifically trusted implementations of classical orbit-determination algorithms. OrbFit, developed in Fortran, is a mature and rigorously validated tool that has been widely adopted in observatories and research institutions. Find_Orb, implemented in C, is similarly well established and provides comparable functionality. Both tools are distributed as standalone executables that read input files and write output files, a design pattern that has served the community well for decades. Recent validation efforts such as Orb_It [@Berres_2022] provide end-to-end testing frameworks for these tools, confirming their internal consistency and accuracy. -However, these tools were not designed for programmatic integration into automated pipelines. Invoking them from within a larger application requires launching external processes, writing temporary input files, parsing textual output, and managing inter-process communication—all sources of friction that become significant bottlenecks at the scales required by modern surveys. Furthermore, neither tool exposes a library API that would allow direct in-memory processing. +However, these tools were not designed for programmatic integration into automated pipelines. Invoking them from within a larger application requires launching external processes, writing temporary input files, parsing textual output, and managing inter-process communication—all sources of complexity and runtime overhead that become significant bottlenecks at the scales required by modern surveys. Furthermore, neither tool exposes a library API that would allow direct in-memory processing. While OrbFit and Find_Orb remain the gold standard for scientific accuracy and validation, their executable-based design makes them ill-suited for the use cases Outfit targets. Rather than contribute additional features to these existing tools, we chose to build a new library from the ground up with a different architectural philosophy: an embeddable, memory-safe library with a clear API designed for automated workflows. This design choice represents a meaningful scholarly contribution, as it enables classical orbit-determination methods to be integrated into modern data-processing systems that would otherwise struggle to adopt executable-based tools. @@ -73,12 +73,16 @@ Outfit has demonstrated realized impact through integration into operational res The research need that motivated Outfit's development is documented in [@Le_Montagner_2023], which used OrbFit to fit tens of thousands of trajectory hypotheses by invoking the Fortran executable through Apache Spark across multiple compute nodes—a workflow that required dozens of CPU cores and took several minutes to complete. With Outfit's library interface, the same analysis runs in seconds on a single multi-core machine, demonstrating the performance gains enabled by in-memory processing and eliminating the overhead of inter-process communication and file I/O. -To ensure numerical reliability, Outfit includes regression tests on real astrometric datasets (2015AB, 8467, 33803) that validate orbit-fitting accuracy against known solutions returned by OrbFit. These tests run automatically in continuous integration and serve as a reproducible benchmark for the library's correctness. The library is distributed on crates.io (the Rust package registry) and PyPI (the Python Package Index), with precompiled binaries for multiple platforms, lowering the barrier to adoption. Documentation is available on docs.rs and GitHub Pages, and the repository includes runnable examples demonstrating end-to-end usage: +To ensure numerical reliability, Outfit includes regression tests on real astrometric datasets (2015AB[^2015AB], 8467[^8467], 33803[^33803]) that validate orbit-fitting accuracy against known solutions returned by OrbFit. These tests run automatically in continuous integration and serve as a reproducible benchmark for the library's correctness. The library is distributed on crates.io (the Rust package registry) and PyPI (the Python Package Index), with precompiled binaries for multiple platforms, lowering the barrier to adoption. Documentation is available on docs.rs and GitHub Pages, and the repository includes runnable examples demonstrating end-to-end usage: ```bash cargo run --release --example parquet_to_orbit --features "jpl-download" ``` +[^2015AB]: +[^8467]: +[^33803]: + # AI usage disclosure GitHub Copilot's auto-completion feature was used in VS Code during implementation, and the GitHub Copilot coding agent assisted with writing testing infrastructure, documentation, and refactoring. AI-assisted language editing was used to improve wording and clarity in parts of the manuscript. All code and text generated or modified by AI tools was carefully reviewed and proofread by the authors, and all AI-generated code was extensively tested. From a21859a1d7d7b6d7d9be1650bcbc5560a38acbea Mon Sep 17 00:00:00 2001 From: Roman Date: Fri, 3 Apr 2026 11:51:51 +0200 Subject: [PATCH 21/21] add in astronomy for standard formats --- joss_data/paper.md | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/joss_data/paper.md b/joss_data/paper.md index da0179c..1b72ad4 100644 --- a/joss_data/paper.md +++ b/joss_data/paper.md @@ -55,7 +55,7 @@ The architecture of Outfit reflects a deliberate set of trade-offs made to balan Outfit is implemented in Rust [@rust_book], a programming language that provides memory safety without garbage collection and zero-cost abstractions for performance-critical code. This choice was motivated by the need for both speed and reliability in a library intended for automated, high-throughput pipelines. Rust's ownership system eliminates entire classes of runtime errors (null pointer dereferences, use-after-free, data races) without imposing runtime overhead, making it well-suited for scientific computing applications that must be both fast and correct. -The library accepts observations directly as in-memory data structures, avoiding file I/O in the critical path. For interoperability with existing workflows, Outfit also supports standard formats including MPC 80-column [@MPC80col], ADES XML [@ADES], and columnar layouts such as Parquet/Arrow [@Arrow; @Parquet]. These parsers perform validation and time-scale normalisation on load, ensuring that downstream orbit-fitting code operates on consistently formatted data. +The library accepts observations directly as in-memory data structures, avoiding file I/O in the critical path. For interoperability with existing workflows, Outfit also supports standard formats in astronomy including MPC 80-column [@MPC80col], ADES XML [@ADES], and columnar layouts such as Parquet/Arrow [@Arrow; @Parquet]. These parsers perform validation and time-scale normalisation on load, ensuring that downstream orbit-fitting code operates on consistently formatted data. Initial orbit determination (IOD) follows the classical Gauss method on triplets of optical observations. The solver performs iterative refinement with numerical and geometric acceptability checks, evaluating RMS residuals to assess fit quality. The eighth-degree polynomial arising in Gauss's formulation is solved using an Aberth–Ehrlich root-finding method (via the aberth crate [@Aberth]), which provides numerical stability and efficiency. Observatory geometry is handled explicitly via MPC codes or geodetic coordinates, converted into consistent geocentric and topocentric reference frames. Outfit supports multiple orbital element representations (Keplerian, equinoctial, and cometary), two-body propagation, and planetary ephemerides from JPL DE kernels (e.g., DE440) [@DE440; @NAIF]. Time handling uses the hifitime library [@hifitime] for consistent UTC/TT/TDB conversions.