- Open Access
Determination of proton PDF uncertainties with Markov chain Monte Carlo
Phys. Rev. D 113, 054049 – Published 27 March, 2026
DOI: https://doi.org/10.1103/5y5y-5yhy
Abstract
We present an analysis of parton distribution functions (PDFs) of the proton using Markov chain Monte Carlo (MCMC) methods. The MCMC approach naturally implements Bayes’ theorem and, thus, provides a means to directly sample the underlying probability distribution—in this case, the probability distribution of the PDF parameters. This allows for a straightforward propagation of the resulting uncertainties into any PDF-dependent observable, preserving their simple probabilistic interpretation. In our analysis we include a broad set of deep inelastic scattering data from HERA, BCDMS and NMC experiments along with the Drell-Yan, and boson data from LHC and Tevatron experiments, which combined with theoretical calculations at next-to-next-to-leading order in QCD allow for realistic determination of PDFs. The main focus of this analysis is to explore alternative methods for PDF uncertainty estimation that are more firmly grounded in statistical principles. We show that the flexibility of the Bayes framework, allowing one, e.g., to account for non-Gaussianity or inconsistencies of datasets, is crucial to extract realistic uncertainties when such assumptions are not fulfilled. We also demonstrate that MCMC allows one to determine the value corresponding to a given confidence level in the sample, which can, in turn, be used as a statistically well-founded tolerance criterion used in the Hessian method, thus addressing one of its main long-standing drawbacks.
Physics Subject Headings (PhySH)
Article Text
References (109)
- ATLAS Collaboration, Standard model summary plots, Report No. ATL-PHYS-PUB-2024-011, CERN, Geneva, 2024, https://cds.cern.ch/record/2903866.
- F. J. Tackmann, Beyond scale variations: Perturbative theory uncertainties from nuisance parameters, J. High Energy Phys. 08 (2025) 098.
- M. A. Lim and R. Poncelet, Robust estimates of theoretical uncertainties at fixed-order in perturbation theory, Phys. Rev. D 112, L111901 (2025).
- M. Cacciari and N. Houdeau, Meaningful characterisation of perturbative theoretical uncertainties, J. High Energy Phys. 09 (2011) 039.
- J. Charles, S. Descotes-Genon, V. Niess, and L. Vale Silva, Modeling theoretical uncertainties in phenomenological analyses for particle physics, Eur. Phys. J. C 77, 214 (2017).
- E. Bagnaschi, M. Cacciari, A. Guffanti, and L. Jenniches, An extensive survey of the estimation of uncertainties from missing higher orders in perturbative calculations, J. High Energy Phys. 02 (2015) 133.
- M. Bonvini, Probabilistic definition of the perturbative theoretical uncertainty from missing higher orders, Eur. Phys. J. C 80, 989 (2020).
- C. Duhr, A. Huss, A. Mazeliauskas, and R. Szafron, An analysis of Bayesian estimates for missing higher orders in perturbative calculations, J. High Energy Phys. 09 (2021) 122.
- R. D. Ball et al. (NNPDF Collaboration), The path to proton structure at 1% accuracy, Eur. Phys. J. C 82, 428 (2022).
- J. Gao, L. Harland-Lang, and J. Rojo, The structure of the proton in the LHC precision era, Phys. Rep. 742, 1 (2018).
- M. Ubiali, Parton distribution functions and their impact on precision of the current theory calculations, arXiv:2404.08508.
- H.-W. Lin et al., Parton distributions and lattice QCD calculations: A community white paper, Prog. Part. Nucl. Phys. 100, 107 (2018).
- K. Cichy and M. Constantinou, A guide to light-cone PDFs from Lattice QCD: An overview of approaches, techniques and results, Adv. High Energy Phys. 2019, 3036904 (2019).
- M. Constantinou et al., Parton distributions and lattice-QCD calculations: Toward 3D structure, Prog. Part. Nucl. Phys. 121, 103908 (2021).
- K. Kovařík, P. M. Nadolsky, and D. E. Soper, Hadronic structure in high-energy collisions, Rev. Mod. Phys. 92, 045003 (2020).
- J. J. Ethier and E. R. Nocera, Parton distributions in nucleons and nuclei, Annu. Rev. Nucl. Part. Sci. 70, 43 (2020).
- S. Alekhin, J. Blümlein, S. Moch, and R. Placakyte, Parton distribution functions, , and heavy-quark masses for LHC Run II, Phys. Rev. D 96, 014011 (2017).
- T.-J. Hou et al., New CTEQ global analysis of quantum chromodynamics with high-precision data from the LHC, Phys. Rev. D 103, 014013 (2021).
- S. Bailey, T. Cridge, L. A. Harland-Lang, A. D. Martin, and R. S. Thorne, Parton distributions from LHC, HERA, Tevatron and fixed target data: MSHT20 PDFs, Eur. Phys. J. C 81, 341 (2021).
- J. McGowan, T. Cridge, L. A. Harland-Lang, and R. S. Thorne, Approximate parton distribution functions with theoretical uncertainties: PDFs, Eur. Phys. J. C 83, 185 (2023).
- M. Cerutti, A. Accardi, I. P. Fernando, S. Li, J. F. Owens, and S. Park, Systematic uncertainties from higher-twist corrections in DIS at large x, Phys. Rev. D 111, 094013 (2025).
- H. Abramowicz et al. (H1 and ZEUS Collaborations), Combination of measurements of inclusive deep inelastic scattering cross sections and QCD analysis of HERA data, Eur. Phys. J. C 75, 580 (2015).
- W. T. Giele, S. A. Keller, and D. A. Kosower, Parton distribution function uncertainties, arXiv:hep-ph/0104052.
- Y. G. Gbedo and M. Mangin-Brinet, Markov Chain Monte Carlo techniques applied to parton distribution functions determination: Proof of concept, Phys. Rev. D 96, 014015 (2017).
- N. T. Hunt-Smith, A. Accardi, W. Melnitchouk, N. Sato, A. W. Thomas, and M. J. White, Determination of uncertainties in parton densities, Phys. Rev. D 106, 036003 (2022).
- N. T. Hunt-Smith, W. Melnitchouk, F. Ringer, N. Sato, A. W. Thomas, and M. J. White, Accelerating Markov Chain Monte Carlo sampling with diffusion models, Comput. Phys. Commun. 296, 109059 (2024).
- F. Capel, R. Aggarwal, M. Botje, A. Caldwell, O. Schulz, and A. Verbytskyi, PartonDensity.jl: A novel parton density determination code, Phys. Rev. D 110, 014024 (2024).
- M. N. Costantini, L. Mantani, J. M. Moore, V. S. Sanchez, and M. Ubiali, Colibri: A new tool for fast-flying PDF fits, Eur. Phys. J. C 86, 22 (2026).
- M. N. Costantini, L. Mantani, J. M. Moore, and M. Ubiali, A linear PDF model for Bayesian inference, arXiv:2507.16913.
- S. Forte and Z. Kassabov, Why cannot be determined from hadronic processes without simultaneously determining the parton distributions, Eur. Phys. J. C 80, 182 (2020).
- J. Gao, M. Guzzi, and P. M. Nadolsky, Charm quark mass dependence in a global QCD analysis, Eur. Phys. J. C 73, 2541 (2013).
- R. D. Ball, A. Barontini, J. Cruz-Martinez, S. Forte, F. Hekhorn, E. R. Nocera, J. Rojo, and R. Stegeman (NNPDF Collaboration), A determination of at accuracy from a global PDF analysis, Eur. Phys. J. C 85, 1001 (2025).
- A. Ablat, S. Dulat, M. Guzzi, J. Huston, K. Mohan, P. Nadolsky, D. Stump, and C. P. Yuan, Strong coupling constant determination from the new CTEQ-TEA global QCD analysis, arXiv:2512.23792.
- T. Cridge, L. A. Harland-Lang, and R. S. Thorne, A first determination of the strong coupling at approximate order in a global PDF fit, Eur. Phys. J. C 84, 1009 (2024).
- R. Abdul Khalek et al. (NNPDF Collaboration), A first determination of parton distributions with theoretical uncertainties, Eur. Phys. J. C 79, 838 (2019).
- R. Abdul Khalek et al. (NNPDF Collaboration), Parton distributions with theory uncertainties: General formalism and first phenomenological studies, Eur. Phys. J. C 79, 931 (2019).
- Z. Kassabov, M. Ubiali, and C. Voisey, Parton distributions with scale uncertainties: A Monte Carlo sampling approach, J. High Energy Phys. 03 (2023) 148.
- R. D. Ball et al. (NNPDF Collaboration), Determination of the theory uncertainties from missing higher orders on NNLO parton distributions with percent accuracy, Eur. Phys. J. C 84, 517 (2024).
- S. Alekhin et al., HERAFitter, Eur. Phys. J. C 75, 304 (2015).
- P. Belov et al. (HERAFitter Developers’ Team Collaboration), Parton distribution functions at LO, NLO and NNLO with correlated uncertainties between orders, Eur. Phys. J. C 74, 3039 (2014).
- J. Pumplin, D. R. Stump, and W. K. Tung, Multivariate fitting and the error matrix in global analysis of data, Phys. Rev. D 65, 014011 (2001).
- J. Pumplin, D. Stump, R. Brock, D. Casey, J. Huston, J. Kalk, H. L. Lai, and W. K. Tung, Uncertainties of predictions from parton distribution functions. 2. The Hessian method, Phys. Rev. D 65, 014013 (2001).
- A. D. Martin, R. G. Roberts, W. J. Stirling, and R. S. Thorne, Uncertainties of predictions from parton distributions. 1: Experimental errors, Eur. Phys. J. C 28, 455 (2003).
- J. Pumplin, D. R. Stump, J. Huston, H. L. Lai, P. M. Nadolsky, and W. K. Tung, New generation of parton distributions with uncertainties from global QCD analysis, J. High Energy Phys. 07 (2002) 012.
- S. Alekhin, J. Blumlein, and S. Moch, The ABM parton distributions tuned to LHC data, Phys. Rev. D 89, 054028 (2014).
- M. Gluck, P. Jimenez-Delgado, and E. Reya, Dynamical parton distributions of the nucleon and very small-x physics, Eur. Phys. J. C 53, 355 (2008).
- A. Accardi, L. T. Brady, W. Melnitchouk, J. F. Owens, and N. Sato, Constraints on large- parton distributions from new weak boson production and deep-inelastic scattering data, Phys. Rev. D 93, 114017 (2016).
- S. S. Wilks, The large-sample distribution of the likelihood ratio for testing composite hypotheses, Ann. Math. Stat. 9, 60 (1938).
- K. J. Eskola, P. Paakkinen, H. Paukkunen, and C. A. Salgado, EPPS21: A global QCD analysis of nuclear PDFs, Eur. Phys. J. C 82, 413 (2022).
- P. Duwentäster, T. Ježo, M. Klasen, K. Kovařík, A. Kusina, K. F. Muzakka, F. I. Olness, R. Ruiz, I. Schienbein, and J. Y. Yu, Impact of heavy quark and quarkonium data on nuclear gluon PDFs, Phys. Rev. D 105, 114043 (2022).
- A. D. Martin, W. J. Stirling, R. S. Thorne, and G. Watt, Parton distributions for the LHC, Eur. Phys. J. C 63, 189 (2009).
- S. Forte, J. I. Latorre, L. Magnea, and A. Piccione, Determination of alpha(s) from scaling violations of truncated moments of structure functions, Nucl. Phys. B643, 477 (2002).
- L. Del Debbio, S. Forte, J. I. Latorre, A. Piccione, and J. Rojo (NNPDF Collaboration), Neural network determination of parton distributions: The nonsinglet case, J. High Energy Phys. 03 (2007) 039.
- R. D. Ball et al. (NNPDF Collaboration), Parton distributions from high-precision collider data, Eur. Phys. J. C 77, 663 (2017).
- R. Abdul Khalek, R. Gauld, T. Giani, E. R. Nocera, T. R. Rabemananjara, and J. Rojo, nNNPDF3.0: Evidence for a modified partonic structure in heavy nuclei, Eur. Phys. J. C 82, 507 (2022).
- M. N. Costantini, M. Madigan, L. Mantani, and J. M. Moore, A critical study of the Monte Carlo replica method, J. High Energy Phys. 12 (2024) 064.
- D. Stump, J. Pumplin, R. Brock, D. Casey, J. Huston, J. Kalk, H. L. Lai, and W. K. Tung, Uncertainties of predictions from parton distribution functions. 1. The Lagrange multiplier method, Phys. Rev. D 65, 014012 (2001).
- D. Liu, C. Sun, and J. Gao, Machine learning of log-likelihood functions in global analysis of parton distributions, J. High Energy Phys. 08 (2022) 088.
- A. Candido, L. Del Debbio, T. Giani, and G. Petrillo, Bayesian inference with Gaussian processes for the determination of parton distribution functions, Eur. Phys. J. C 84, 716 (2024).
- A. C. Benvenuti et al. (BCDMS Collaboration), A high statistics measurement of the proton structure functions and from deep inelastic muon scattering at high , Phys. Lett. B 223, 485 (1989).
- M. Arneodo et al. (New Muon Collaboration), Measurement of the proton and deuteron structure functions, and , and of the ratio , Nucl. Phys. B483, 3 (1997).
- T. A. Aaltonen et al. (CDF Collaboration), Measurement of of Drell-Yan pairs in the mass region from collisions at , Phys. Lett. B 692, 232 (2010).
- V. M. Abazov et al. (D0 Collaboration), Measurement of the shape of the boson rapidity distribution for events produced at of 1.96-TeV, Phys. Rev. D 76, 012003 (2007).
- G. Aad et al. (ATLAS Collaboration), Measurement of the transverse momentum and distributions of Drell–Yan lepton pairs in proton–proton collisions at with the ATLAS detector, Eur. Phys. J. C 76, 291 (2016).
- V. Khachatryan et al. (CMS Collaboration), Measurement of the boson differential cross section in transverse momentum and rapidity in proton–proton collisions at 8 TeV, Phys. Lett. B 749, 187 (2015).
- S. Chatrchyan et al. (CMS Collaboration), Measurement of the differential and double-differential Drell-Yan cross sections in proton-proton collisions at , J. High Energy Phys. 12 (2013) 030.
- R. Aaij et al. (LHCb Collaboration), Measurement of the forward boson production cross-section in collisions at , J. High Energy Phys. 08 (2015) 039.
- R. Aaij et al. (LHCb Collaboration), Measurement of forward and boson production in collisions at , J. High Energy Phys. 01 (2016) 155.
- T. Stavreva, F. I. Olness, I. Schienbein, T. Jezo, A. Kusina, K. Kovarik, and J. Y. Yu, Heavy quark production in the ACOT scheme at NNLO and N3LO, Phys. Rev. D 85, 114014 (2012).
- P. Risse, V. Bertone, T. Ježo, K. Kovařík, A. Kusina, F. Olness, and I. Schienbein, Heavy quark mass effects in charged-current deep-inelastic scattering at approximate NNLO in the Aivazis-Collins-Olness-Tung scheme, Phys. Rev. D 112, 114004 (2025).
- M. A. G. Aivazis, F. I. Olness, and W.-K. Tung, Leptoproduction of heavy quarks. 1. General formalism and kinematics of charged current and neutral current production processes, Phys. Rev. D 50, 3085 (1994).
- M. A. G. Aivazis, J. C. Collins, F. I. Olness, and W.-K. Tung, Leptoproduction of heavy quarks. 2. A Unified QCD formulation of charged and neutral current processes from fixed target to collider energies, Phys. Rev. D 50, 3102 (1994).
- S. Kretzer and I. Schienbein, Heavy quark initiated contributions to deep inelastic structure functions, Phys. Rev. D 58, 094035 (1998).
- M. Krämer, F. I. Olness, and D. E. Soper, Treatment of heavy quarks in deeply inelastic scattering, Phys. Rev. D 62, 096007 (2000).
- J. C. Collins and W.-K. Tung, Calculating heavy quark distributions, Nucl. Phys. B278, 934 (1986).
- V. Bertone, apfel++: A new PDF evolution library in C++, Proc. Sci., DIS2017 (2018) 201 [arXiv:1708.00911].
- G. P. Salam and J. Rojo, A higher order perturbative parton evolution toolkit (HOPPET), Comput. Phys. Commun. 180, 120 (2009).
- J. M. Campbell, R. K. Ellis, and C. Williams, Vector boson pair production at the LHC, J. High Energy Phys. 07 (2011) 018.
- T. Carli, D. Clements, A. Cooper-Sarkar, C. Gwenlan, G. P. Salam, F. Siegert, P. Starovoitov, and M. Sutton, A posteriori inclusion of parton density functions in NLO QCD final-state calculations at hadron colliders: The APPLGRID Project, Eur. Phys. J. C 66, 503 (2010).
- https://github.com/NNPDF/applgrids.
- V. Bertone, S. Carrazza, and N. P. Hartland, APFELgrid: A high performance tool for parton density determinations, Comput. Phys. Commun. 212, 205 (2017).
- V. Bertone, S. Carrazza, and J. Rojo, APFEL: A PDF evolution library with QED corrections, Comput. Phys. Commun. 185, 1647 (2014).
- S. Carrazza, A. Ferrara, D. Palazzo, and J. Rojo, APFEL Web: A web-based application for the graphical visualization of parton distribution functions, J. Phys. G 42, 057001 (2015).
- https://github.com/NNPDF/nnpdf
- https://www.uni-muenster.de/IT.Technik/en/Server/HPC.html
- G. D’Agostini, On the use of the covariance matrix to fit correlated data, Nucl. Instrum. Methods Phys. Res., Sect. A 346, 306 (1994).
- K. F. Muzakka et al., Compatibility of neutrino DIS data and its impact on nuclear parton distribution functions, Phys. Rev. D 106, 074004 (2022).
- R. D. Ball, L. Del Debbio, S. Forte, A. Guffanti, J. I. Latorre, J. Rojo, and M. Ubiali (NNPDF Collaboration), Fitting parton distribution data with multiplicative normalization uncertainties, J. High Energy Phys. 05 (2010) 075.
- H. Haario, E. Saksman, and J. Tamminen, An adaptive metropolis algorithm, Bernoulli 7, 223 (2001).
- N. Metropolis, A. W. Rosenbluth, M. N. Rosenbluth, A. H. Teller, and E. Teller, Equation of state calculations by fast computing machines, J. Chem. Phys. 21, 1087 (2004).
- W. K. Hastings, Monte Carlo sampling methods using Markov Chains and their applications, Biometrika 57, 97 (1970).
- G. O. Roberts and J. S. Rosenthal, Optimal scaling for various metropolis-hastings algorithms, Stat. Sci. 16, 351 (2001).
- G. O. Roberts and J. S. Rosenthal, Coupling and ergodicity of adaptive Markov Chain Monte Carlo algorithms, J. Appl. Probab. 44, 458 (2007).
- G. L. Jones and Q. Qin, Markov Chain Monte Carlo in practice, Annu. Rev. Stat. Appl. 9, 557 (2022).
- C. G. Broyden, The convergence of a class of double-rank minimization algorithms 1. General considerations, IMA J. Appl. Math. 6, 76 (1970).
- R. Fletcher, A new approach to variable metric algorithms, Comput. J. 13, 317 (1970).
- D. Goldfarb, A family of variable-metric methods derived by variational means, Math. Comput. 24, 23 (1970).
- D. F. Shanno, Conditioning of quasi-newton methods for function minimization, Math. Comput. 24, 647 (1970).
- C. Sanderson and R. Curtin, Armadillo: A template-based C++ library for linear algebra, J. Open Source Softwaare 1, 26 (2016).
- C. Sanderson and R. Curtin, Practical sparse matrices in C++ with hybrid storage and template-based expression optimisation, Math. Comput. Appl. 24, 70 (2019).
- U. Wolff (ALPHA Collaboration), Monte Carlo errors with less errors, Comput. Phys. Commun. 156, 143 (2004); 176, 383(E) (2007).
- C. R. Doss, J. M. Flegal, G. L. Jones, and R. C. Neath, Markov Chain Monte Carlo estimation of quantiles, Electron. J. Stat. 8, 2448 (2014).
- D. W. Scott, Multivariate Density Estimation: Theory, Practice, and Visualization (John Wiley and Sons, Inc., New York, 1992).
- A. Putze, L. Derome, D. Maurin, L. Perotto, and R. Taillet, A Markov Chain Monte Carlo for galactic cosmic ray physics: I. Method and results for the leaky box model, Astron. Astrophys. 497, 991 (2009).
- N. Derakhshanian, P. Risse, T. Ježo, M. Klasen, K. Kovařík, and A. Kusina, Determination of Nuclear PDFs using Markov Chain Monte Carlo Methods, arXiv:2603.13150.
- N. Derakhshanian, P. Risse, T. Ježo, M. Klasen, K. Kovařík, A. Kusina, F. I. Olness, and I. Schienbein, Nuclear PDF determination using Markov Chain Monte Carlo methods, Acta Phys. Pol. B Proc. Suppl. 16, 7 (2023).
- N. Derakhshanian, P. Risse, T. Ježo, K. Kovařík, and A. Kusina, Estimating nPDF uncertainties via Markov Chain Monte Carlo methods, Proc. Sci., DIS2024 (2025) 058.
- S. Duane, A. D. Kennedy, B. J. Pendleton, and D. Roweth, Hybrid Monte Carlo, Phys. Lett. B 195, 216 (1987).
- P. Risse, N. Derakhshanian, T. Ježo, K. Kovařík, and A. Kusina, Parameter samples and LHAPDF files for “Determination of proton PDF uncertainties with Markov chain Monte Carlo”, Zenodo 10.5281/zenodo.19056773 (2026).