Pad\'e Approximation and Partition Function Zeros
Pith reviewed 2026-05-16 13:49 UTC · model grok-4.3
The pith
Padé approximation reduces the number of zeros needed to locate critical temperatures from partition functions without loss of accuracy.
A machine-rendered reading of the paper's core claim, the machinery that carries it, and where it could break.
Core claim
The Padé approximant applied to the generating functions for Fisher zeros, the energy probability distribution, and the moment generating function preserves the locations of the zeros nearest the positive real axis, so that the critical temperature of a lattice model can be extracted from a polynomial of substantially lower degree than the original formulation requires.
What carries the argument
The Padé approximation, a rational-function fit constructed from a finite power series, used to represent the partition-function-related quantities with fewer coefficients while retaining the relevant zero locations.
If this is right
- Polynomial degree and computation time drop substantially for both the Ising and XY models.
- The XY model can now be analyzed reliably because the Fisher-zero route no longer needs a separate convergence algorithm.
- Accurate critical-temperature estimates are retained even when the number of retained zeros is reduced.
- The same Padé reduction applies uniformly to the Fisher, EPD, and MGF formulations.
Where Pith is reading between the lines
- The technique could be tested on larger lattices to check whether the savings in degree grow with system size.
- Similar rational approximations might be applied to other complex-plane singularities used to detect transitions.
- The approach opens a route to studying models where the density of states is only partially known.
Load-bearing premise
The Padé approximant does not systematically displace the zeros closest to the real axis that determine the critical temperature.
What would settle it
If the critical temperature obtained from the Padé-reduced zeros for the two-dimensional Ising model deviates from the known exact value by more than the statistical uncertainty of the full computation, the claim is false.
Figures
read the original abstract
Fisher zeros play a central role in the theoretical understanding of phase transitions. However, their computation requires knowledge of the density of states, which limits their practical applicability. Alternative approaches based on the Energy Probability Distribution (EPD) and Moment Generating Function (MGF) alleviate the computational cost but suffer from convergence issues in the two-dimensional \textbf{anisotropic Heisenberg} model (XY model). In this work, we introduce a Pad\'e approximation to systematically reduce the number of zeros required in the Fisher, EPD, and MGF formulations without loss of accuracy. Moreover, since the Fisher zeros formulation does not rely on a convergence algorithm, combining this approach with a Pad\'e approximation enables a reliable analysis of the XY model while significantly reducing computational cost. Applications to the two-dimensional Ising and XY models demonstrate substantial decreases in polynomial degree and computation time while preserving accurate estimates of the critical temperature.
Editorial analysis
A structured set of objections, weighed in public.
Referee Report
Summary. The manuscript introduces a Padé approximation technique to reduce the polynomial degree in Fisher zero, Energy Probability Distribution (EPD), and Moment Generating Function (MGF) formulations for computing partition function zeros. It applies the method to the two-dimensional Ising and XY models, claiming substantial reductions in polynomial degree and computation time while preserving accurate critical temperature estimates, and enabling reliable analysis of the XY model despite prior convergence difficulties.
Significance. If the central claim holds, the approach could substantially lower the computational cost of locating Fisher zeros in models where direct polynomial construction is prohibitive, particularly extending their applicability to the XY model and similar systems with convergence challenges in zero-finding algorithms.
major comments (2)
- [Abstract] Abstract: the central claim that the Padé step 'preserves accurate estimates of the critical temperature' is unsupported by any numerical results, error metrics, zero-displacement bounds, or direct comparisons to the unapproximated polynomial for either model.
- [Applications to the XY model] XY-model application: no explicit verification is supplied that the Padé reduction leaves the imaginary part of the dominant zero unchanged to within the precision needed for Tc; given known sensitivity of XY zeros to perturbations, this omission leaves the reliability claim untested.
minor comments (2)
- [Introduction] The distinction between the anisotropic Heisenberg model and the XY model should be stated more precisely in the introduction.
- Notation for the order of the Padé approximant and its application to the MGF could be made more explicit to improve reproducibility.
Simulated Author's Rebuttal
We thank the referee for the careful reading of our manuscript and the constructive comments. We address each major point below and agree that strengthening the quantitative support for our claims will improve the paper.
read point-by-point responses
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Referee: [Abstract] Abstract: the central claim that the Padé step 'preserves accurate estimates of the critical temperature' is unsupported by any numerical results, error metrics, zero-displacement bounds, or direct comparisons to the unapproximated polynomial for either model.
Authors: We agree that the abstract statement would be more robust with explicit supporting data. The manuscript body presents applications to the Ising and XY models that recover known critical temperatures and enable convergence where prior methods failed, but we will add a dedicated section with direct numerical comparisons. This will include tables of dominant zero positions with and without the Padé step, displacement bounds, relative errors, and computation-time reductions for both models. revision: yes
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Referee: [Applications to the XY model] XY-model application: no explicit verification is supplied that the Padé reduction leaves the imaginary part of the dominant zero unchanged to within the precision needed for Tc; given known sensitivity of XY zeros to perturbations, this omission leaves the reliability claim untested.
Authors: We acknowledge the known sensitivity of XY-model zeros and agree that an explicit check is necessary. In the revised manuscript we will include a direct side-by-side comparison of the imaginary part of the dominant zero obtained from the full and Padé-reduced formulations, together with quantitative bounds demonstrating that any displacement lies well below the precision required for the reported Tc value. revision: yes
Circularity Check
No significant circularity detected in derivation chain
full rationale
The paper presents the Padé approximation as an independent numerical technique applied to pre-existing Fisher-zero, EPD, and MGF polynomial formulations in order to reduce degree while preserving zero locations. No equation in the abstract or described chain defines the approximant in terms of the critical temperature or zero positions it is used to compute; the reduction in polynomial degree is an external operation whose accuracy is asserted by comparison to known results rather than by construction. No self-citation load-bearing uniqueness theorems, fitted-input predictions, or ansatz smuggling appear. The derivation therefore remains self-contained against external benchmarks for the Ising and XY models.
Axiom & Free-Parameter Ledger
axioms (1)
- domain assumption A Padé approximant of sufficiently low degree can reproduce the zero locations of the underlying generating function to the accuracy needed for critical-temperature estimation.
Reference graph
Works this paper leans on
-
[1]
C. N. Yang, T. D. Lee, Statistical theory of equations of state and phase transitions. i. theory of condensation, Phys. Rev. 87 (1952) 404–409. doi:10.1103/PhysRev.87.404. URLhttps://link.aps.org/doi/10.1103/PhysRev.87.404
-
[2]
T. D. Lee, C. N. Yang, Statistical theory of equations of state and phase transitions. ii. lattice gas and ising model, Phys. Rev. 87 (1952) 410–419. doi:10.1103/PhysRev.87.410. URLhttps://link.aps.org/doi/10.1103/PhysRev.87.410
-
[3]
J. C. Rocha, S. Schnabel, D. P. Landau, M. Bachmann, Lead- ing fisher partition function zeros as indicators of structural transitions in macromolecules, Physics Procedia 57 (2014) 94–98, proceedings of the 27th Workshop on Computer Sim- ulation Studies in Condensed Matter Physics (CSP2014). doi:https://doi.org/10.1016/j.phpro.2014.08.139. URLhttps://www....
-
[4]
M. Heyl, A. Polkovnikov, S. Kehrein, Dynamical quantum phase transitions in the transverse-field ising model, Phys. Rev. Lett. 110 (2013) 135704.doi:10.1103/PhysRevLett.110.135704. URLhttps://link.aps.org/doi/10.1103/PhysRevLett.110. 135704
-
[5]
I. BENA, M. DROZ, A. LIPOWSKI, Statistical mechanics of equilib- 31 rium and nonequilibrium phase transitions: The yang–lee formalism, International Journal of Modern Physics B 19 (29) (2005) 4269–4329. doi:10.1142/s0217979205032759. URLhttp://dx.doi.org/10.1142/S0217979205032759
-
[6]
M. Krasnytska, B. Berche, Y. Holovatch, R. Kenna, Partition function zeros for the ising model on complete graphs and on annealed scale-free networks, Journal of Physics A: Mathematical and Theoretical 49 (13) (2016) 135001.doi:10.1088/1751-8113/49/13/135001. URLhttps://doi.org/10.1088/1751-8113/49/13/135001
-
[7]
W. van Dijk, C. Lobo, A. MacDonald, R. K. Bhaduri, Fisher ze- ros of a unitary bose gas, Canadian Journal of Physics 93 (8) (2015) 830–835.arXiv:https://doi.org/10.1139/cjp-2014-0585,doi:10. 1139/cjp-2014-0585. URLhttps://doi.org/10.1139/cjp-2014-0585
-
[8]
X. Peng, H. Zhou, B.-B. Wei, J. Cui, J. Du, R.-B. Liu, Experimental observation of lee-yang zeros, Phys. Rev. Lett. 114 (2015) 010601. doi:10.1103/PhysRevLett.114.010601. URLhttps://link.aps.org/doi/10.1103/PhysRevLett.114. 010601
-
[9]
A. Krishnan, M. Schmitt, R. Moessner, M. Heyl, Measuring complex- partition-function zeros of ising models in quantum simulators, Phys. Rev. A 100 (2019) 022125.doi:10.1103/PhysRevA.100.022125. URLhttps://link.aps.org/doi/10.1103/PhysRevA.100.022125 32
-
[10]
7C, University of Colorado Press, Boulder, 1965, Ch
M.E.Fisher, Thenatureofcriticalpoints, in: W.Brittin(Ed.), Lectures in Theoretical Physics, Vol. 7C, University of Colorado Press, Boulder, 1965, Ch. 1, pp. 1–159
work page 1965
-
[11]
B. Costa, L. Mól, J. Rocha, Energy probability distribu- tion zeros: A route to study phase transitions, Computer Physics Communications 216 (2017) 77 – 83.doi:https: //doi.org/10.1016/j.cpc.2017.03.003. URLhttp://www.sciencedirect.com/science/article/pii/ S0010465517300796
-
[12]
R. G. M. Rodrigues, B. V. Costa, L. A. S. Mól, Moment-generating function zeros in the study of phase transitions, Phys. Rev. E 104 (2021) 064103.doi:10.1103/PhysRevE.104.064103. URLhttps://link.aps.org/doi/10.1103/PhysRevE.104.064103
-
[13]
A. Deger, F. Brange, C. Flindt, Lee-yang theory, high cumulants, and large-deviation statistics of the magnetization in the ising model, Phys. Rev. B 102 (2020) 174418.doi:10.1103/PhysRevB.102.174418. URLhttps://link.aps.org/doi/10.1103/PhysRevB.102.174418
-
[14]
A. B. Lima, L. A. S. Mól, B. V. Costa, The Fully Frustrated XY Model Revisited: A New Universality Class, Journal of Statistical Physics 175 (5) (2019) 960–971.doi:10.1007/s10955-019-02271-x. URLhttp://link.springer.com/10.1007/s10955-019-02271-x
-
[15]
B. V. Costa, L. A. Mól, J. C. Rocha, A New Algorithm to Study the Critical Behavior of Topological Phase Transitions, Brazilian Journal 33 of Physics 49 (2) (2019) 271–276.doi:10.1007/s13538-019-00636-x. URLhttps://link.springer.com/article/10.1007/ s13538-019-00636-x
-
[16]
J. Rocha, L. Mól, B. Costa, Using zeros of the canonical partition function map to detect signatures of a berezinskii–kosterlitz–thouless transition, Computer Physics Communications 209 (2016) 88 – 91. doi:https://doi.org/10.1016/j.cpc.2016.08.016. URLhttp://www.sciencedirect.com/science/article/pii/ S0010465516302466
-
[17]
W. H. Press, S. A. Teukolsky, W. T. Vetterling, B. P. Flannery, Numer- ical Recipes 3rd Edition: The Art of Scientific Computing, 3rd Edition, Cambridge University Press, USA, 2007
work page 2007
-
[18]
P. D. Beale, Exact distribution of energies in the two-dimensional ising model, Phys. Rev. Lett. 76 (1996) 78–81.doi:10.1103/PhysRevLett. 76.78. URLhttps://link.aps.org/doi/10.1103/PhysRevLett.76.78
-
[19]
J. M. Kosterlitz, D. J. Thouless, Ordering, metastability and phase tran- sitions in two-dimensional systems, Journal of Physics C: Solid State Physics 6 (7) (1973) 1181.doi:10.1088/0022-3719/6/7/010. URLhttps://doi.org/10.1088/0022-3719/6/7/010
-
[20]
J. M. Kosterlitz, D. J. Thouless, Long range order and metastability in two dimensional solids and superfluids. (application of dislocation theory), Journal of Physics C: Solid State Physics 5 (11) (1972) L124. 34 doi:10.1088/0022-3719/5/11/002. URLhttps://doi.org/10.1088/0022-3719/5/11/002
-
[21]
URLhttps://books.google.com.br/books?id=OfC6CgAAQBAJ
J.Jose, D.Thouless, 40YearsOfBerezinskii–kosterlitz–thoulessTheory, World Scientific Publishing Company, 2013. URLhttps://books.google.com.br/books?id=OfC6CgAAQBAJ
work page 2013
-
[22]
N. D. Mermin, H. Wagner, Absence of ferromagnetism or antiferromag- netism in one- or two-dimensional isotropic heisenberg models, Phys. Rev. Lett. 17 (1966) 1133–1136.doi:10.1103/PhysRevLett.17.1133. URLhttps://link.aps.org/doi/10.1103/PhysRevLett.17.1133
-
[23]
M. Hasenbusch, The two-dimensional xy model at the transition temper- ature: a high-precision monte carlo study, Journal of Physics A: Math- ematical and General 38 (26) (2005) 5869.doi:10.1088/0305-4470/ 38/26/003. URLhttps://doi.org/10.1088/0305-4470/38/26/003
-
[24]
Olsson, Monte carlo analysis of the two-dimensional xy model
P. Olsson, Monte carlo analysis of the two-dimensional xy model. ii. comparison with the kosterlitz renormalization-group equations, Phys. Rev. B 52 (1995) 4526–4535.doi:10.1103/PhysRevB.52.4526. URLhttps://link.aps.org/doi/10.1103/PhysRevB.52.4526
-
[25]
J. C. Siqueira Rocha, L. Mól, B. V. Costa, Entropy per energy for the xy model (Jun. 2025).doi:10.5281/zenodo.15614663. URLhttps://doi.org/10.5281/zenodo.15614663
-
[26]
R. Kenna, A. Irving, Logarithmic corrections to scaling in the two dimensional xy-model, Physics Letters B 351 (1) (1995) 273–278. 35 doi:https://doi.org/10.1016/0370-2693(95)00316-D. URLhttps://www.sciencedirect.com/science/article/pii/ 037026939500316D
-
[27]
H. G. Evertz, D. P. Landau, Critical dynamics in the two-dimensional classical xy model: A spin-dynamics study, Phys. Rev. B 54 (1996) 12302–12317.doi:10.1103/PhysRevB.54.12302. URLhttps://link.aps.org/doi/10.1103/PhysRevB.54.12302
-
[28]
D. A. Bini, G. Fiorentino, Design, analysis, and implementation of a multiprecision polynomial rootfinder, Numerical Algorithms 23 (2) (2000) 127–173.doi:10.1023/A:1019199917103. URLhttps://doi.org/10.1023/A:1019199917103
-
[29]
D. A. Bini, L. Robol, Solving secular and polynomial equa- tions: A multiprecision algorithm, Journal of Computational and Applied Mathematics 272 (2014) 276–292.doi:https: //doi.org/10.1016/j.cam.2013.04.037. URLhttps://www.sciencedirect.com/science/article/pii/ S037704271300232X
-
[30]
D. H. Bailey, Mpfun2020: A thread-safe arbitrary precision package with special functions (2020). URLhttps://www.davidhbailey.com/dhbsoftware/ 36
work page 2020
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