Drawn from the papers, not from records — 18 October 2026

Seven PINN papers by Karniadakis and co-authors as discourse graphs

Seven papers on physics-informed neural networks (PINNs) from the group of George Em Karniadakis, all published CC BY, each drawn from its full text as a question, a hypothesis, the experiments that addressed it, the results they produced and the edge each result earns. Every result names where in the paper it comes from. Three of the seven report results that go against the method under test, and those are drawn as opposing edges.

The graphs on this page are drawn from the papers, not from Negative-Results Records: the extraction read each full text and recorded a locator and a short quote for every finding. The eight graphs at portolansoft.com/graphs are drawn from records. All graphs · The SAGE set · The pilot

How to read these graphs

A discourse graph breaks a piece of research into typed one-sentence nodes and draws how they bear on one another. The grammar is that of Discourse Graphs (Chan and Akamatsu). Read each graph left to right: a question, the experiments that addressed it, the results they produced, and the hypothesis every result is drawn against.

QUE Question
What the work set out to answer.
HYP Hypothesis
The answer the authors expected. Every result earns one edge against it.
EXP Experiment
One attempt at the question: a trial arm, an assay, a survey, an analysis.
RES Result
One finding from an experiment, with where in the source it comes from.
ISS Issue
An open question or untried branch the work leaves for someone else.
addresses
An experiment addresses the question.
produces
An experiment produces a result.
supports
A positive result that backs the hypothesis.
opposes
A negative result that counts as evidence against the hypothesis, or a refutation of an earlier claim.
informs
A partial or mixed result that bears on the hypothesis without settling it.
consistent with
A negative or inconclusive result that does not count either way: no positive control passed, or there is no sensitivity or power statement, so the absence of an effect cannot be told from a measurement that failed.
relation
A thin dotted line: a link the source itself states between two experiments, such as one being derived from another.

A dashed box marks a result the rule above counts as uninformative, or an issue. In the drawing, click a node to jump to its text below.

The edge rule, translated for computational work

The key above is written for laboratory and clinical papers, where a negative counts only with a passing positive control and a stated sensitivity. Methods papers in scientific machine learning have neither, so the same rule is applied with its nearest equivalents. The comparator is a baseline that was tuned or reproduced, not a number copied from another paper. The sensitivity statement is variance over seeds or runs, a confidence interval, a significance test, or a convergence study that would have shown a difference had there been one. The missing positive control is a baseline that was never reproduced. A worse or failed result is drawn as opposing the claim only when those hold; otherwise it is drawn as merely consistent with it. A baseline that fails outright, by running out of memory or diverging, is drawn as informing the claim: it says what the baseline cannot do, not that the claim holds. The brief the extraction followed is kept with the JSON for each graph.

How the seven were chosen

All of his articles on PINNs that are open access under CC BY on the version of record, found through OpenAlex (author record, gold or hybrid open access, licence on the publisher’s own copy) and checked one by one against Crossref’s licence field or the publisher’s page. Seven qualify; the well-known 2019 PINN paper and most of the 2019 to 2021 papers do not, being bronze or closed. Ordered by forward citations (works citing the paper, OpenAlex, 18 October 2026). Four full texts are the published versions; three are the arXiv versions, because Elsevier does not serve the article to a machine, and the extraction notes under those graphs say so. None of these papers is published by ACM: his ACM record is nine supercomputing and graphics items from 1996 to 2015 and one review in ACM Computing Surveys, none with an experiment of its own.

The seven

Cited by: works citing the paper, OpenAlex, 18 October 2026. Licence: how CC BY was verified on the version of record.
PaperJournalCited byLicenceText read
Zhang, Dao, Karniadakis & Suresh, Analyses of internal structures and defects in materials using physics-informed neural networks. 10.1126/sciadv.abk0644Science Advances, 2022393CC BY 4.0 (publisher page)version of record, PubMed Central (PMC8849303)
Hu, Shukla, Karniadakis & Kawaguchi, Tackling the curse of dimensionality with physics-informed neural networks. 10.1016/j.neunet.2024.106369Neural Networks, 2024194CC BY 4.0 (Crossref, version of record)arXiv 2307.12306; the publisher does not serve the article to a machine
Linka, Schäfer, Meng, Zou, Karniadakis & Kuhl, Bayesian Physics Informed Neural Networks for real-world nonlinear dynamical systems. 10.1016/j.cma.2022.115346Computer Methods in Applied Mechanics and Engineering, 2022186CC BY 4.0 (Crossref, version of record)arXiv 2205.08304; the publisher does not serve the article to a machine
Hu, Jagtap, Karniadakis & Kawaguchi, Augmented Physics-Informed Neural Networks (APINNs): A gating network-based soft domain decomposition methodology. 10.1016/j.engappai.2023.107183Engineering Applications of Artificial Intelligence, 2023145CC BY 4.0 (Crossref, version of record)arXiv 2211.08939; the publisher does not serve the article to a machine
Hu, Jagtap, Karniadakis & Kawaguchi, When Do Extended Physics-Informed Neural Networks (XPINNs) Improve Generalization?. 10.1137/21M1447039SIAM Journal on Scientific Computing, 2022141CC BY 4.0 (publisher page)version of record, SIAM PDF
Daryakenari, De Florio, Shukla & Karniadakis, AI-Aristotle: A physics-informed framework for systems biology gray-box identification. 10.1371/journal.pcbi.1011916PLoS Computational Biology, 202461CC BY 4.0 (Crossref, version of record)version of record, PubMed Central (PMC10931529)
Shukla, Xu, Trask & Karniadakis, Scalable algorithms for physics-informed neural and graph networks. 10.1017/dce.2022.24Data-Centric Engineering, 202255CC BY 4.0 (Crossref)version of record, Cambridge Core HTML

PINN identification of internal voids and inclusions in solids (Science Advances, 2022)

Science Advances, 2022

Read left to right. The question (QUE) is addressed by 4 experiments (EXP), each producing results (RES), and each result bears on the hypothesis (HYP). 4 support it, 0 oppose it, 8 inform it. Issues (ISS) hang below: what the paper leaves open.

HYP, in the authors’ words (Discussion): “We have shown that the present framework is able to accurately estimate the unknown geometric and material parameters with a relative error O(10−2) when proper displacement data are supplied to ensure identifiability.”

Discourse graph of PINN identification of internal voids and inclusions in solids (Science Advances, 2022) que addresses exp-elliptical-void-cases-0-1 que addresses exp-slit-and-multiple-voids-cases-2-3-4 que addresses exp-soft-inclusion-case-5 que addresses exp-convergence-and-cost exp-elliptical-void-cases-0-1 produces f-case0-linear-elastic-ellipse f-case0-linear-elastic-ellipse supports hyp exp-elliptical-void-cases-0-1 produces f-case1-hyperelastic-ellipse f-case1-hyperelastic-ellipse informs hyp exp-slit-and-multiple-voids-cases-2-3-4 produces f-case2-slit-internal-data f-case2-slit-internal-data informs hyp exp-slit-and-multiple-voids-cases-2-3-4 produces f-case3-plasticity-void f-case3-plasticity-void supports hyp exp-slit-and-multiple-voids-cases-2-3-4 produces f-case4-two-voids f-case4-two-voids supports hyp exp-soft-inclusion-case-5 produces f-case5-modulus-error-boundary-only f-case5-modulus-error-boundary-only informs hyp exp-soft-inclusion-case-5 produces f-case5-internal-data-fix f-case5-internal-data-fix supports hyp exp-soft-inclusion-case-5 produces f-case5-perturbation-identifiability f-case5-perturbation-identifiability informs hyp exp-convergence-and-cost produces f-location-converges-first f-location-converges-first informs hyp exp-convergence-and-cost produces f-cost-11-hours-cpu f-cost-11-hours-cpu informs hyp exp-convergence-and-cost produces f-no-pretraining-diverges f-no-pretraining-diverges informs hyp exp-convergence-and-cost produces f-supplementary-robustness-limits f-supplementary-robustness-limits informs hyp exp-elliptical-void-cases-0-1 extends exp-slit-and-multiple-voids-cases-2-3-4: Cases 2-4 extend the single-void baseline to a crack-like slit, plasticity and multiple voids. exp-elliptical-void-cases-0-1 extends exp-soft-inclusion-case-5: Case 5 adds an unknown material parameter (μi) to the geometry identification problem. exp-convergence-and-cost informs exp-soft-inclusion-case-5: Fig. 7C shows R and μi converge late and the perturbation analysis attributes this to poor identifiability with boundary-only data. exp-convergence-and-cost informs exp-elliptical-void-cases-0-1: Fig. 7A shows A, B, Γ converge more slowly than the centre coordinates in case 1, matching the larger B error in Table 1. exp-slit-and-multiple-voids-cases-2-3-4 informs exp-soft-inclusion-case-5: The internal data points used to fix case 5 are placed 'as in case 2', where internal data were already required for the slit. ISS · open questions and untried branches this path leaves behind QUE · positive Can a PINN with trainable geometric parameters recover the location, size, shape and modulus of an internal void or inclusion from boundary displacements in nonlinear solids? Can a PINN with trainable geometric parameters recover the location, size, shape and modulus of an internal void or inclusion from boundary displacements in nonlinear solids? HYP Making residual-point coordinates functions of trainable geometric parameters lets a PINN estimate void/inclusion geometry and modulus to O(10^-2) relative error, given identifiable data. Making residual-point coordinates functions of trainable geometric parameters lets a PINN estimate void/inclusion geometry and modulus to O(10^-2) relative error, given identifiable data. EXP · positive Cases 0 and 1: elliptical void (centre X1c, X2c, semi-axes A, B, tilt Γ) in a square matrix, linear-elastic and Neo- Hookean models, boundary displacement… Cases 0 and 1: elliptical void (centre X1c, X2c, semi-axes A, B, tilt Γ) in a square matrix, linear-elastic and Neo-Hookean models, boundary displacement data from Abaqus FEM RES · positive Case 0 (linear elasticity): relative errors 0.12% (X1c), 0.13% (X2c), 0.71% (A), 5.47% (B), 0.32% (Γ); B is the… Case 0 (linear elasticity): relative errors 0.12% (X1c), 0.13% (X2c), 0.71% (A), 5.47% (B), 0.32% (Γ); B is the worst-identified parameter. RES · partial Case 1 (hyperelasticity): centre recovered to 0.21%/0.09% but A, B, Γ converge more slowly and less… Case 1 (hyperelasticity): centre recovered to 0.21%/0.09% but A, B, Γ converge more slowly and less accurately, with B at 6.8% and A at 1.7% relative error. EXP · positive Cases 2-4: slender slit (crack-like, internal measurement points), circular void in deformation plasticity, and two circular voids; unknowns are endpoints… Cases 2-4: slender slit (crack-like, internal measurement points), circular void in deformation plasticity, and two circular voids; unknowns are endpoints, centres and radii RES · partial Case 2 (slit, hyperelastic): endpoint coordinates recovered with relative errors 0.07%, 2.01%, 0.04%, 1.59%, but… Case 2 (slit, hyperelastic): endpoint coordinates recovered with relative errors 0.07%, 2.01%, 0.04%, 1.59%, but only with displacement measurements placed inside the solid. RES · positive Case 3 (deformation plasticity): circular void centre and radius recovered with relative errors 0.06%… Case 3 (deformation plasticity): circular void centre and radius recovered with relative errors 0.06%, 0.01%, 1.00%, and the plastic zone matches the FEM ground truth. RES · positive Case 4 (two circular voids, hyperelastic): all six parameters recovered with relative errors between… Case 4 (two circular voids, hyperelastic): all six parameters recovered with relative errors between 0.008% and 0.13%, the most accurate case. EXP · partial Case 5: soft circular inclusion, joint geometry (X1c, X2c, R) and material (shear modulus μi) identification, boundary-only data, then retrained with… Case 5: soft circular inclusion, joint geometry (X1c, X2c, R) and material (shear modulus μi) identification, boundary-only data, then retrained with five internal data points RES · partial Case 5 with boundary-only data: inclusion shear modulus μi estimated at 0.0760 vs 0.0667 (13.9% relative error)… Case 5 with boundary-only data: inclusion shear modulus μi estimated at 0.0760 vs 0.0667 (13.9% relative error) and radius R at 3.3%, while the centre is within 0.1%. RES · positive Case 5 retrained with five additional internal data points: μi error drops to 3.0% and R to 0.96%, restoring O(10^-2)… Case 5 retrained with five additional internal data points: μi error drops to 3.0% and R to 0.96%, restoring O(10^-2) accuracy. RES · partial FEM perturbation analysis: boundary displacement error for perturbations with ΔR*·Δμi* > 0 is roughly one tenth… FEM perturbation analysis: boundary displacement error for perturbations with ΔR*·Δμi* > 0 is roughly one tenth of that for ΔR*·Δμi* < 0, so R and μi are poorly identifiable together. EXP · partial Convergence histories (cases 1 and 5) and compute cost (case 4): Adam for 1M iterations after 20k/50k pretraining iterations, CPU only; Adam+L-BFGS… Convergence histories (cases 1 and 5) and compute cost (case 4): Adam for 1M iterations after 20k/50k pretraining iterations, CPU only; Adam+L-BFGS alternative in Supplementary RES · partial In cases 1 and 5 the centre (X1c, X2c) nearly converges after ~150k/300k iterations, while A, B, Γ (case 1) and… In cases 1 and 5 the centre (X1c, X2c) nearly converges after ~150k/300k iterations, while A, B, Γ (case 1) and R, μi (case 5) lag in rate and accuracy; loss falls from O(10^-1) to O(10^-4). RES · partial Case 4 takes around 11 hours on a CPU- only machine for the full 1M Adam iterations; reasonable accuracy is… Case 4 takes around 11 hours on a CPU-only machine for the full 1M Adam iterations; reasonable accuracy is reached within the first 200k, and Adam+L-BFGS reaches similar accuracy in around 30 min. RES · negative-not-achievable Without the pretraining stage (geometric parameters frozen while the NN learns the forward field), the estimated… Without the pretraining stage (geometric parameters frozen while the NN learns the forward field), the estimated geometry rapidly leaves physically admissible values, e.g. a void outside the matrix. RES · partial Supplementary parametric studies: the method is robust to void location and size only for voids no smaller than… Supplementary parametric studies: the method is robust to void location and size only for voids no smaller than O(10^-1) of the matrix and for moduli ratios within roughly O(10^1). ISS · next-step Static boundary measurements carry limited information about internal features (Saint-Venant decay); dynamic loading such as ultrasound is proposed… Static boundary measurements carry limited information about internal features (Saint-Venant decay); dynamic loading such as ultrasound is proposed to supply time-dependent data. ISS · open-question R and μi are poorly identifiable together from boundary-only data; the fix shown (five internal points) presumes access to interior measurement… R and μi are poorly identifiable together from boundary-only data; the fix shown (five internal points) presumes access to interior measurements that the setup originally excluded. ISS · next-step Training to a plateau takes ~11 hours CPU for 1M Adam iterations; Adam+L-BFGS, parallel PINNs and convergence- acceleration techniques are named as… Training to a plateau takes ~11 hours CPU for 1M Adam iterations; Adam+L-BFGS, parallel PINNs and convergence-acceleration techniques are named as routes to cut this. ISS · open-question Continuum mechanics limits the method to defects far larger than the microstructure; parametric studies also bound reliable void sizes to no smaller… Continuum mechanics limits the method to defects far larger than the microstructure; parametric studies also bound reliable void sizes to no smaller than O(10^-1) of the matrix.
  • supports positive finding
  • opposes a worse or failed result against a tuned baseline, with variance, an interval or a convergence study to show it is real
  • informs bears on the question without deciding the hypothesis
  • thin grey a relation between two experiments
Nodes, in reading order. Sources: Zhang, Dao, Karniadakis & Suresh 2022, 10.1126/sciadv.abk0644; text read: version of record, PubMed Central (PMC8849303).
NodeTextTypeOutcomeEdge
EXPCases 0 and 1: elliptical void (centre X1c, X2c, semi-axes A, B, tilt Γ) in a square matrix, linear-elastic and Neo-Hookean models, boundary displacement data from Abaqus FEM
All five parameters recovered, centre to ~0.1% but semi-axis B only to 5.47% (case 0) and 6.8% (case 1) relative error.
inverse problem (synthetic benchmark against FEM ground truth)positive
RESCase 0 (linear elasticity): relative errors 0.12% (X1c), 0.13% (X2c), 0.71% (A), 5.47% (B), 0.32% (Γ); B is the worst-identified parameter.
Relative error (%) = 0.12, 0.13, 0.71, 5.47, 0.32 for X1c, X2c, A, B, Γ; estimated 0.0488, 0.0987, 0.3475, 0.1582, −29.42° vs reference 0.05, 0.10, 0.35, 0.15, −30°; single run, no variance reported
Results, Parameter estimation results, Table 1 · “with relative error O(10 −2 ) on most parameters and as small as O(10 −4 ) for some parameters”
positive
informative
supports HYP
RESCase 1 (hyperelasticity): centre recovered to 0.21%/0.09% but A, B, Γ converge more slowly and less accurately, with B at 6.8% and A at 1.7% relative error.
Relative error (%) = 0.21, 0.09, 1.7, 6.8, 0.54 for X1c, X2c, A, B, Γ; estimated 0.0479, 0.0991, 0.3440, 0.1602, −29.02° vs reference 0.05, 0.10, 0.35, 0.15, −30°; single run
Table 1; Results, Interpreting the convergence histories, Fig. 7A · “exhibit worse behavior in terms of both convergence rate and estimation accuracy, including ( A , B , Γ) in case 1”
partial
informative
informs HYP
EXPCases 2-4: slender slit (crack-like, internal measurement points), circular void in deformation plasticity, and two circular voids; unknowns are endpoints, centres and radii
Slit endpoints to within 2.01%, plastic-case radius to 1.00%, and two-void parameters all within 0.13%; the slit case needed internal data because boundary displacements are insensitive to slit geometry.
inverse problem (synthetic benchmark against FEM ground truth)positive
RESCase 2 (slit, hyperelastic): endpoint coordinates recovered with relative errors 0.07%, 2.01%, 0.04%, 1.59%, but only with displacement measurements placed inside the solid.
Relative error (%) = 0.07, 2.01, 0.04, 1.59 for X1(1), X2(1), X1(2), X2(2); estimated −0.0399, 0.3273, 0.0396, −0.2315 vs reference −0.0392, 0.3474, 0.0392, −0.2474; internal measurement points allowed for this case only
Table 1; Results, Setup of the prototypical inverse problem · “we allow the displacement measurements to be inside the solid because of the relative insensitivity of the boundary displacement with respect to the slit geometry”
partial
informative
informs HYP
RESCase 3 (deformation plasticity): circular void centre and radius recovered with relative errors 0.06%, 0.01%, 1.00%, and the plastic zone matches the FEM ground truth.
Relative error (%) = 0.06, 0.01, 1.00 for X1c, X2c, R; estimated 0.0506, 0.0999, 0.2525 vs reference 0.05, 0.10, 0.25; plastic-zone agreement shown visually in Fig. 6, no metric given
Table 1; Results, Inference of deformed patterns, Fig. 6 · “but also the plastic zone of the loaded matrix is inferred with high accuracy”
positive
informative
supports HYP
RESCase 4 (two circular voids, hyperelastic): all six parameters recovered with relative errors between 0.008% and 0.13%, the most accurate case.
Relative error (%) = 0.089, 0.018, 0.04, 0.045, 0.008, 0.13 for X1(1), X2(1), R(1), X1(2), X2(2), R(2); estimated −0.15089, 0.10018, 0.20007, 0.25045, −0.05008, 0.15019 vs reference −0.15, 0.10, 0.20, 0.25, −0.05, 0.15
Table 1 · “Case 4 demonstrates the applicability of the method for materials with multiple voids”
positive
informative
supports HYP
EXPCase 5: soft circular inclusion, joint geometry (X1c, X2c, R) and material (shear modulus μi) identification, boundary-only data, then retrained with five internal data points
With boundary-only data μi is off by 13.9% and R by 3.3%; adding five internal points brings them to 3.0% and 0.96%.
inverse problem (combined material and geometry identification) with a data-augmentation follow-uppartial
RESCase 5 with boundary-only data: inclusion shear modulus μi estimated at 0.0760 vs 0.0667 (13.9% relative error) and radius R at 3.3%, while the centre is within 0.1%.
Relative error (%) = 0.04, 0.09, 3.3, 13.9 for X1c, X2c, R, μi; absolute error (×10^-2) = 0.04, 0.09, 0.83, 0.93; estimated 0.0496, 0.0991, 0.2583, 0.0760 vs reference 0.05, 0.10, 0.25, 0.0667; single run
Table 1; Results, Parameter estimation results · “the estimated shear modulus of the inclusion μ i in case 5 has an error slightly more than 10%”
partial
informative
informs HYP
RESCase 5 retrained with five additional internal data points: μi error drops to 3.0% and R to 0.96%, restoring O(10^-2) accuracy.
Relative error (%) = 0.05, 0.02, 0.96, 3.0 for X1c, X2c, R, μi; estimated 0.0495, 0.0998, 0.2524, 0.0687 vs reference 0.05, 0.10, 0.25, 0.0667; five additional data points inside the solid
Table 1 (Case 5 with internal data); Results, Parameter estimation results · “With the additional data, the relative error of estimated parameters decreases to O(10 −2 ), similar to other cases.”
positive
informative
supports HYP
RESFEM perturbation analysis: boundary displacement error for perturbations with ΔR*·Δμi* > 0 is roughly one tenth of that for ΔR*·Δμi* < 0, so R and μi are poorly identifiable together.
Root mean squared error of boundary displacement data along diagonal line 1 (ΔR*Δμi* > 0) is roughly O(10^-1) of that along line 2 (ΔR*Δμi* < 0), Fig. 8; computed with the FEM solver, not the PINN
Results, Interpreting the convergence histories, Fig. 8 · “The error along line 1 is roughly O(10 −1 ) the error along line 2.”
partial
informative
informs HYP
EXPConvergence histories (cases 1 and 5) and compute cost (case 4): Adam for 1M iterations after 20k/50k pretraining iterations, CPU only; Adam+L-BFGS alternative in Supplementary
Location parameters converge after ~150k-300k iterations while shape/modulus parameters lag; full training costs ~11 hours CPU, reducible to ~30 min with L-BFGS.
convergence studypartial
RESIn cases 1 and 5 the centre (X1c, X2c) nearly converges after ~150k/300k iterations, while A, B, Γ (case 1) and R, μi (case 5) lag in rate and accuracy; loss falls from O(10^-1) to O(10^-4).
Centre convergence after ~150k (case 1) / ~300k (case 5) iterations; loss O(10^-1) to O(10^-3) within 200k iterations and to O(10^-4) at the end of 1M iterations; pretraining 20k (case 1) and 50k (case 5) iterations
Results, Interpreting the convergence histories, Fig. 7 · “almost converges with high accuracy after around 150k/300k iterations, while the remaining unknown parameters exhibit worse behavior”
partial
informative
informs HYP
RESCase 4 takes around 11 hours on a CPU-only machine for the full 1M Adam iterations; reasonable accuracy is reached within the first 200k, and Adam+L-BFGS reaches similar accuracy in around 30 min.
Wall time ~11 hours, CPU only, 1M iterations, case 4; Adam + L-BFGS ~30 min for similar accuracy (section S11, table S1, not reproduced in main text)
Discussion · “the computational time for case 4, for example, is around 11 hours on a typical machine [with central processing unit (CPU) only]”
partial
informative
informs HYP
RESWithout the pretraining stage (geometric parameters frozen while the NN learns the forward field), the estimated geometry rapidly leaves physically admissible values, e.g. a void outside the matrix.
Qualitative only; no iteration count or metric given for the failure
Materials and Methods, Pretraining procedure · “the estimated geometric parameters rapidly depart from physically admissible values (e.g., void located outside the matrix) after a few iterations”
negative-not-achievable
informative
informs HYP
RESSupplementary parametric studies: the method is robust to void location and size only for voids no smaller than O(10^-1) of the matrix and for moduli ratios within roughly O(10^1).
Void size lower bound O(10^-1) of matrix geometry; moduli ratio range roughly O(10^1); measurement points must be uniform on the boundary without prior knowledge of void location; detailed numbers in sections S7-S10, not in the main text
Results, Parameter estimation results (summary of sections S7 to S10) · “different sizes [no smaller than O(10 −1 ) of the matrix geometry] of the void, and moduli ratio of matrix and inclusion spanning within roughly”
partial
informative
informs HYP
  • ISS Static boundary measurements carry limited information about internal features (Saint-Venant decay); dynamic loading such as ultrasound is proposed to supply time-dependent data. (next-step · Discussion)
  • ISS R and μi are poorly identifiable together from boundary-only data; the fix shown (five internal points) presumes access to interior measurements that the setup originally excluded. (open-question · Results, Interpreting the convergence histories)
  • ISS Training to a plateau takes ~11 hours CPU for 1M Adam iterations; Adam+L-BFGS, parallel PINNs and convergence-acceleration techniques are named as routes to cut this. (next-step · Discussion)
  • ISS Continuum mechanics limits the method to defects far larger than the microstructure; parametric studies also bound reliable void sizes to no smaller than O(10^-1) of the matrix. (open-question · Discussion; Results summary of sections S7 to S10)

Extraction notes: Version: the text is the PubMed Central full text of the published article (Sci. Adv. 8, eabk0644, 16 Feb 2022, received 26 Jun 2021, accepted 22 Dec 2021, CC BY 4.0), with XML tags stripped; it includes main text, Table 1, figure captions, Methods and references but NOT the Supplementary Materials (sections S1-S11, figs. S1-S9, table S1). Inferences on my part: (1) the mapping of material models to cases (case 0 = linear elasticity, case 1 = hyperelasticity, case 3 = deformation plasticity) is read from 'cases 0, 1, and 3 as the baseline cases' plus Fig. 3A-C ordering and 'For case 3 where plasticity is involved'; the text never states case 0's model directly, nor explicitly the models of cases 2, 4 and 5 (Methods says most examples are incompressible Neo-Hookean, and case 5 uses μi as shear modulus, so hyperelastic is implied). (2) Loading type (uniaxial/biaxial) per case is only in Fig. 2, which is not in the text. (3) The 'reference value' for case 2 is given as −0.0392, 0.3474, 0.0392, −0.2474, which does not look like round design values; I copied it as printed. (4) All Table 1 errors are from single training runs; the paper reports no seeds, variance or confidence intervals, so none of the findings meet the brief's fairness condition for 'opposes', and I used 'informs' for the sub-par results (B in cases 0/1, μi and R in case 5). (5) There is no competing inverse method run as a baseline; the only comparison is against Abaqus FEM ground truth that also generated the data, and claims that the method avoids remeshing and problem-specific update algorithms are qualitative. (6) The 'around 30 min' Adam+L-BFGS figure and the robustness bounds (void size, moduli ratio, measurement placement) are summaries of Supplementary sections S7-S11 and table S1; the underlying numbers are not in the text. (7) The paper itself does not state which parameters in case 0 converged worse; the explicit statement about worse convergence names (A, B, Γ) in case 1 and (R, μi) in case 5 only. (8) The 'quote' for f-case4-two-voids is the setup sentence, since Table 1 gives numbers without a prose sentence for case 4. (9) Noted self-inconsistency: the Fig. 8 caption says 'Perturbation states on line 1 satisfy ΔR*Δμi* > 0. Perturbation states on line 1 satisfy ΔR*Δμi* < 0' (second 'line 1' should read 'line 2'); the main text makes the intended reading clear. Also the Results text refers to 'top left panels in Fig. 2, A to C' where the architectures are in Fig. 3. (10) Hyphen/minus/superscript characters in copied numbers (e.g. 'O(10 −2 )') follow the stripped text; I normalised them to 10^-2 in labels but kept the raw form inside quotes.

SDGD scales PINNs to 100,000-dimensional PDEs (Neural Networks, 2024)

Neural Networks, 2024

Read left to right. The question (QUE) is addressed by 5 experiments (EXP), each producing results (RES), and each result bears on the hypothesis (HYP). 4 support it, 0 oppose it, 7 inform it. Issues (ISS) hang below: what the paper leaves open.

HYP, in the authors’ words (Abstract): “Notably, we solve nonlinear PDEs with nontrivial, anisotropic, and inseparable solutions in less than one hour for 1,000 dimensions and in 12 hours for 100,000 dimensions on a single GPU using SDGD with PINNs.”

Discourse graph of SDGD scales PINNs to 100,000-dimensional PDEs (Neural Networks, 2024) que addresses exp-elliptic-scaling-vs-vanilla que addresses exp-ablations-batch-and-algorithms que addresses exp-parabolic-vs-nonpinn-baselines que addresses exp-hjb-adversarial-training que addresses exp-schrodinger-tnn-gradient-accumulation exp-elliptic-scaling-vs-vanilla produces fnd-sdgd-100k-elliptic fnd-sdgd-100k-elliptic supports hyp exp-elliptic-scaling-vs-vanilla produces fnd-vanilla-pinn-oom fnd-vanilla-pinn-oom informs hyp exp-elliptic-scaling-vs-vanilla produces fnd-sdgd-matches-vanilla-low-d fnd-sdgd-matches-vanilla-low-d supports hyp exp-ablations-batch-and-algorithms produces fnd-batch-size-robust fnd-batch-size-robust informs hyp exp-ablations-batch-and-algorithms produces fnd-unbalanced-batch-too-slow fnd-unbalanced-batch-too-slow informs hyp exp-ablations-batch-and-algorithms produces fnd-algorithm-1-too-slow-algorithm-3-less-accurate fnd-algorithm-1-too-slow-algorithm-3-less-accurate informs hyp exp-parabolic-vs-nonpinn-baselines produces fnd-sdgd-beats-bsde-baselines fnd-sdgd-beats-bsde-baselines supports hyp exp-hjb-adversarial-training produces fnd-hjb-250-1000-speedup fnd-hjb-250-1000-speedup supports hyp exp-hjb-adversarial-training produces fnd-hjb-baselines-oom fnd-hjb-baselines-oom informs hyp exp-hjb-adversarial-training produces fnd-hjb-high-d-error-5e-2 fnd-hjb-high-d-error-5e-2 informs hyp exp-schrodinger-tnn-gradient-accumulation produces fnd-cqho-20k-and-limitation fnd-cqho-20k-and-limitation informs hyp exp-ablations-batch-and-algorithms extends exp-elliptic-scaling-vs-vanilla: Same Sine-Gordon setup and hyperparameters as Section 5.1, varying only the batch sizes and the choice among Algorithms 1, 2 and 3. exp-elliptic-scaling-vs-vanilla informs exp-hjb-adversarial-training: The Algorithm 3, |I|=100 configuration validated on the elliptic PDEs is reused for the HJB gradient-descent step, with |I|=10 for the adversarial step. exp-ablations-batch-and-algorithms informs exp-hjb-adversarial-training: The ablation's finding that Algorithm 3 is fastest with marginal accuracy loss, and the batch-size guideline of Section 4.4, underpin the configuration used at 10,000 and 100,000 D. exp-schrodinger-tnn-gradient-accumulation informs exp-elliptic-scaling-vs-vanilla: Shows the boundary of the elliptic result: when the architecture is separable per dimension and the loss has an integral denominator, the memory bottleneck moves outside what SDGD samples. exp-parabolic-vs-nonpinn-baselines comparedWith exp-hjb-adversarial-training: Both compare SDGD-PINN with external solvers; the parabolic study uses single-point relative L1 against BSDE-type methods, the HJB study uses whole-domain relative L2 against PINN-based adversarial training. ISS · open questions and untried branches this path leaves behind QUE · positive Can PINNs be trained on arbitrary very- high-dimensional PDEs without the memory and time blow-up of the curse of dimensionality? Can PINNs be trained on arbitrary very-high-dimensional PDEs without the memory and time blow-up of the curse of dimensionality? HYP Stochastic Dimension Gradient Descent (SDGD), which samples PDE dimensions per step, lets PINNs solve nonlinear inseparable PDEs in 1,000 to 100,000 dimensions on one GPU where vanilla PINNs cannot. Stochastic Dimension Gradient Descent (SDGD), which samples PDE dimensions per step, lets PINNs solve nonlinear inseparable PDEs in 1,000 to 100,000 dimensions on one GPU where vanilla PINNs cannot. EXP · positive Poisson, Allen-Cahn and Sine-Gordon in the unit ball, inseparable anisotropic exact solution, 100 D to 100,000 D; SDGD (Algorithm 3, |I|=|B|=100) vs vanilla… Poisson, Allen-Cahn and Sine-Gordon in the unit ball, inseparable anisotropic exact solution, 100 D to 100,000 D; SDGD (Algorithm 3, |I|=|B|=100) vs vanilla PINN; 5 seeds, one A100 RES · positive SDGD solved the 100,000-D Poisson, Allen-Cahn and Sine-Gordon PDEs with relative L2 errors 2.175E-3, 2.178E-3… SDGD solved the 100,000-D Poisson, Allen-Cahn and Sine-Gordon PDEs with relative L2 errors 2.175E-3, 2.178E-3 and 2.177E-3 in 12 hours using 32777 MB. RES · negative-not-achievable Vanilla PINN exceeded the 81252 MB of the A100 at 10,000 D and 100,000 D (error N.A.), and at 5,000 D needed… Vanilla PINN exceeded the 81252 MB of the A100 at 10,000 D and 100,000 D (error N.A.), and at 5,000 D needed 30.54 hours and 56563 MB versus SDGD's 1.18 hours and 3335 MB. RES · positive Where vanilla PINN could run (100 D, 1,000 D, 5,000 D) SDGD's errors matched it, e.g. 1,000-D Poisson 5.611E-4 vs… Where vanilla PINN could run (100 D, 1,000 D, 5,000 D) SDGD's errors matched it, e.g. 1,000-D Poisson 5.611E-4 vs 5.609E-4, at 0.75 hours vs 4.75 hours; at 100 D the two are the same algorithm. EXP · partial Sine-Gordon ablations: eight (|I|,|B|) batch-size pairs at 100,000 D, and Algorithms 1, 2, 3 (full forward, unbiased two-sample, biased one-sample)… Sine-Gordon ablations: eight (|I|,|B|) batch-size pairs at 100,000 D, and Algorithms 1, 2, 3 (full forward, unbiased two-sample, biased one-sample) at 1,000 to 100,000 D RES · positive At 100,000 D the final error varied only from 2.177E-3 (|I|,|B|)=(100,100) to 2.794E-3 at (10,10), while time fell… At 100,000 D the final error varied only from 2.177E-3 (|I|,|B|)=(100,100) to 2.794E-3 at (10,10), while time fell from 12.08 to 1.25 hours and memory from 32777 to 1849 MB. RES · negative-not-achievable Extremely unbalanced batches were very slow: (|I|,|B|)=(1,10000) ran at 546.56 s/it (1518.22 hours for 10K iterations… Extremely unbalanced batches were very slow: (|I|,|B|)=(1,10000) ran at 546.56 s/it (1518.22 hours for 10K iterations, error N.A.) and (10000,1) at 31.25 s/it (86.81 hours). RES · partial Algorithm 1 did not finish at 10,000 D (>24 hours) or 100,000 D (>120 hours); Algorithm 3 took 1.5 and 12 hours, with… Algorithm 1 did not finish at 10,000 D (>24 hours) or 100,000 D (>120 hours); Algorithm 3 took 1.5 and 12 hours, with higher error than Algorithm 2 (2.177E-3 vs 2.039E-3 at 100,000 D). EXP · positive Parabolic Allen-Cahn, semilinear heat and Sine-Gordon PDEs, 10^1 to 10^4 D, relative L1 at one test point; SDGD (Algorithm 2, |I|=|J|=10) vs FBSNN… Parabolic Allen-Cahn, semilinear heat and Sine-Gordon PDEs, 10^1 to 10^4 D, relative L1 at one test point; SDGD (Algorithm 2, |I|=|J|=10) vs FBSNN, DeepBSDE, DeepSplitting; 5 seeds RES · positive SDGD had the lowest relative L1 error in every cell, e.g. 10^4-D Allen-Cahn 2.477E-4 vs 2.962E-3 (DeepSplitting)… SDGD had the lowest relative L1 error in every cell, e.g. 10^4-D Allen-Cahn 2.477E-4 vs 2.962E-3 (DeepSplitting); Sine-Gordon margins were narrow (1.956E-3 vs 2.249E-3 at 10^4 D). EXP · positive HJB-LQG (Log and Rosenbrock costs), adversarial PINN training, 250 to 100,000 D; SDGD (Algorithm 3) vs full- batch Wang et al. and He et al. (RS-… HJB-LQG (Log and Rosenbrock costs), adversarial PINN training, 250 to 100,000 D; SDGD (Algorithm 3) vs full-batch Wang et al. and He et al. (RS-PINN); relative L2 on 20K points RES · positive HJB-Log 250 D: SDGD 6.147E-3 in 210 minutes vs Wang et al. 1.182E-2 in 38 hours and He et al. (RS-PINN) 1.370E-2… HJB-Log 250 D: SDGD 6.147E-3 in 210 minutes vs Wang et al. 1.182E-2 in 38 hours and He et al. (RS-PINN) 1.370E-2 in 12 hours; 1,000 D: SDGD 5.852E-3 in 217 minutes, both baselines >5 days (N.A.). RES · negative-not-achievable At 10,000 D and 100,000 D both full- batch baselines ran out of memory (OOM, N.A.) while SDGD completed in 481 and… At 10,000 D and 100,000 D both full-batch baselines ran out of memory (OOM, N.A.) while SDGD completed in 481 and 855 minutes. RES · partial SDGD's HJB errors at 10,000 D and 100,000 D were 4.926E-2 and 4.852E-2 (Log) and 4.168E-2 and 4.091E-2… SDGD's HJB errors at 10,000 D and 100,000 D were 4.926E-2 and 4.852E-2 (Log) and 4.168E-2 and 4.091E-2 (Rosenbrock), well above the 5.852E-3 and 4.153E-3 reached at 1,000 D. EXP · partial Coupled quantum harmonic oscillator Schrodinger eigenvalue problem, Tensor Neural Network with SDGD gradient accumulation, 100 to 20,000 D, relative… Coupled quantum harmonic oscillator Schrodinger eigenvalue problem, Tensor Neural Network with SDGD gradient accumulation, 100 to 20,000 D, relative L1 error of smallest eigenvalue RES · partial Training reached 2x10^4 dimensions within GPU memory with relative eigenvalue error below 1e-6, but per-… Training reached 2x10^4 dimensions within GPU memory with relative eigenvalue error below 1e-6, but per-dimension TNN memory and the integral denominator are a shortcoming SDGD cannot sample. ISS · open-question SDGD needs a relatively large dimension batch size |I| in extremely high dimensions; too small a batch raises gradient variance and slows convergence… SDGD needs a relatively large dimension batch size |I| in extremely high dimensions; too small a batch raises gradient variance and slows convergence (|I| >= 100 suggested). ISS · open-question Outside the boundary+residual form (Schrodinger eigenvalue with an integral denominator) sampling integration points biases the gradient; an unbiased… Outside the boundary+residual form (Schrodinger eigenvalue with an integral denominator) sampling integration points biases the gradient; an unbiased estimator is still open. ISS · open-question Algorithm 3 (one sample for both passes) is biased yet is the variant behind the 100,000-D results; the convergence theory covers only the unbiased… Algorithm 3 (one sample for both passes) is biased yet is the variant behind the 100,000-D results; the convergence theory covers only the unbiased Algorithms 1 and 2. ISS · untried Applying SDGD to physics-informed neural operators (DeepONet, FNO) and to general high-dimensional regression or classification is proposed but not… Applying SDGD to physics-informed neural operators (DeepONet, FNO) and to general high-dimensional regression or classification is proposed but not tested.
  • supports positive finding
  • opposes a worse or failed result against a tuned baseline, with variance, an interval or a convergence study to show it is real
  • informs bears on the question without deciding the hypothesis
  • thin grey a relation between two experiments
Nodes, in reading order. Sources: Hu, Shukla, Karniadakis & Kawaguchi 2024, 10.1016/j.neunet.2024.106369; text read: arXiv 2307.12306; the publisher does not serve the article to a machine.
NodeTextTypeOutcomeEdge
EXPPoisson, Allen-Cahn and Sine-Gordon in the unit ball, inseparable anisotropic exact solution, 100 D to 100,000 D; SDGD (Algorithm 3, |I|=|B|=100) vs vanilla PINN; 5 seeds, one A100
SDGD reaches about 1e-3 relative L2 error up to 100,000 D in 12 hours while vanilla PINNs run out of memory above 5,000 D.
benchmark comparison / scaling studypositive
RESSDGD solved the 100,000-D Poisson, Allen-Cahn and Sine-Gordon PDEs with relative L2 errors 2.175E-3, 2.178E-3 and 2.177E-3 in 12 hours using 32777 MB.
Rel. L2 error = 2.175E-3 (Poisson), 2.178E-3 (Allen-Cahn), 2.177E-3 (Sine-Gordon) at 100,000 D; Time 12 hours; Memory 32777 MB; 5 seeds, no variance reported
Section 5.1, Table 1 · “Vanilla PINNs [54] run out-of-memory for an A100 GPU with 81252MB memory in more than 5,000 D, while SDGD scales up to 100,000 D.”
positive
informative
supports HYP
RESVanilla PINN exceeded the 81252 MB of the A100 at 10,000 D and 100,000 D (error N.A.), and at 5,000 D needed 30.54 hours and 56563 MB versus SDGD's 1.18 hours and 3335 MB.
Vanilla PINN memory >81252 MB at 10,000 D and 100,000 D, Rel. L2 N.A.; at 5,000 D vanilla 30.54 hours / 56563 MB vs SDGD 1.18 hours / 3335 MB; errors at 5,000 D 1.768E-3 (vanilla Poisson) vs 1.758E-3 (SDGD Poisson)
Section 5.1, Table 1 · “when dealing with 10,000 dimensions, regular PINNs surpass the memory capacity of an A100 GPU of 81252 MB”
negative-not-achievable
informative
informs HYP
RESWhere vanilla PINN could run (100 D, 1,000 D, 5,000 D) SDGD's errors matched it, e.g. 1,000-D Poisson 5.611E-4 vs 5.609E-4, at 0.75 hours vs 4.75 hours; at 100 D the two are the same algorithm.
Rel. L2 error at 1,000 D: SDGD 5.611E-4 / 5.615E-4 / 5.641E-4 vs vanilla 5.609E-4 / 5.617E-4 / 5.642E-4 (Poisson / Allen-Cahn / Sine-Gordon); time 0.75 vs 4.75 hours; memory 1788 vs 4425 MB; 5 seeds, no variance reported
Section 5.1, Table 1 · “In 100 D, since our batch size for dimension is |I| = 100, SDGD and vanilla PINN are the same algorithm.”
positive
informative
supports HYP
EXPSine-Gordon ablations: eight (|I|,|B|) batch-size pairs at 100,000 D, and Algorithms 1, 2, 3 (full forward, unbiased two-sample, biased one-sample) at 1,000 to 100,000 D
Error is robust to batch size but extremely unbalanced batches and the unbiased Algorithm 1 become too slow to finish; the fastest Algorithm 3 is slightly less accurate.
ablationpartial
RESAt 100,000 D the final error varied only from 2.177E-3 (|I|,|B|)=(100,100) to 2.794E-3 at (10,10), while time fell from 12.08 to 1.25 hours and memory from 32777 to 1849 MB.
Rel. L2 error 2.177E-3 (100,100), 2.190E-3 (1000,10), 2.185E-3 (10,1000), 2.180E-3 (10000,1), 2.203E-3 (100,10), 2.189E-3 (10,100), 2.794E-3 (10,10); time 12.08 h vs 1.25 h; memory 32777 vs 1849 MB; 100,000-D Sine-Gordon
Section 5.1.1, Table 2 · “the convergence results of the final relative L2 error are quite consistent among various settings, indicating that SDGD is robust to the choice of batch”
positive
informative
informs HYP
RESExtremely unbalanced batches were very slow: (|I|,|B|)=(1,10000) ran at 546.56 s/it (1518.22 hours for 10K iterations, error N.A.) and (10000,1) at 31.25 s/it (86.81 hours).
Speed 546.56 s/it, Time 1518.22 hours, Rel. L2 N.A. for (|I|,|B|)=(1,10000); 31.25 s/it, 86.81 hours, 2.180E-3 for (10000,1); vs 4.35 s/it, 12.08 hours for (100,100); 100,000-D Sine-Gordon
Section 5.1.1, Table 2 · “extremely unbalanced batch sizes, e.g., (|I|,|B|) = (10000, 1) and (|I|,|B|) = (1, 10000), result in particularly slow speeds”
negative-not-achievable
informative
informs HYP
RESAlgorithm 1 did not finish at 10,000 D (>24 hours) or 100,000 D (>120 hours); Algorithm 3 took 1.5 and 12 hours, with higher error than Algorithm 2 (2.177E-3 vs 2.039E-3 at 100,000 D).
Algorithm 1: 5.134E-4 at 1,000 D in 4.36 h, N.A. at 10,000 D (>24 h) and 100,000 D (>120 h); Algorithm 2: 5.193E-4 / 1.682E-3 / 2.039E-3 in 1.08 / 1.8 / 14.4 h; Algorithm 3: 5.641E-4 / 1.854E-3 / 2.177E-3 in 0.75 / 1.5 / 12 h; |B|=|I|=|J|=100; memory identical
Section 5.1.2, Table 3 · “Algorithm 1 slightly outperforms Algorithm 2, which, in turn, is slightly better than Algorithm 3.”
partial
informative
informs HYP
EXPParabolic Allen-Cahn, semilinear heat and Sine-Gordon PDEs, 10^1 to 10^4 D, relative L1 at one test point; SDGD (Algorithm 2, |I|=|J|=10) vs FBSNN, DeepBSDE, DeepSplitting; 5 seeds
SDGD-PINN reports the lowest single-point relative L1 error in all twelve PDE-dimension cells against three non-PINN solvers.
benchmark comparisonpositive
RESSDGD had the lowest relative L1 error in every cell, e.g. 10^4-D Allen-Cahn 2.477E-4 vs 2.962E-3 (DeepSplitting); Sine-Gordon margins were narrow (1.956E-3 vs 2.249E-3 at 10^4 D).
Rel. L1 error on one test point, Dim=10^4: Allen-Cahn 2.477E-4 (SDGD) vs 2.962E-3 / 2.975E-3 / 5.392E-2; Semilinear heat 1.598E-3 vs 3.525E-3 / 4.279E-3 / 1.426E-2; Sine-Gordon 1.956E-3 vs 2.249E-3 / 2.630E-3 / 5.185E-1 (DeepSplitting / DeepBSDE / FBSNN); 5 seeds, no variance reported; reference values from multilevel Picard
Section 5.2, Table 4 · “PINN surpasses other methods in all dimensions and for all types of PDEs.”
positive
informative
supports HYP
EXPHJB-LQG (Log and Rosenbrock costs), adversarial PINN training, 250 to 100,000 D; SDGD (Algorithm 3) vs full-batch Wang et al. and He et al. (RS-PINN); relative L2 on 20K points
SDGD is faster and more accurate than both baselines at 250 D and 1,000 D and is the only method that runs at 10,000 D and 100,000 D, though at roughly 5E-2 error there.
benchmark comparison / scaling studypositive
RESHJB-Log 250 D: SDGD 6.147E-3 in 210 minutes vs Wang et al. 1.182E-2 in 38 hours and He et al. (RS-PINN) 1.370E-2 in 12 hours; 1,000 D: SDGD 5.852E-3 in 217 minutes, both baselines >5 days (N.A.).
Rel. L2 error / time, HJB-Log: 250 D SDGD 6.147E-3 / 210 min, Wang et al. 1.182E-2 / 38 hours, He et al. 1.370E-2 / 12 hours; 1,000 D SDGD 5.852E-3 / 217 min, baselines >5 days / N.A.; HJB-Rosenbrock 250 D SDGD 5.419E-3 vs 1.207E-2 and 1.413E-2; 1,000 D 4.153E-3; 5 seeds, no variance reported
Section 5.3, Table 5 · “In the 1000D case, full batch GD's adversarial training is exceedingly slow, demanding over 5 days of training time.”
positive
informative
supports HYP
RESAt 10,000 D and 100,000 D both full-batch baselines ran out of memory (OOM, N.A.) while SDGD completed in 481 and 855 minutes.
Wang et al. [60] and He et al. [23]: OOM, Rel. L2 N.A. at 10,000 D and 100,000 D for both HJB-Log and HJB-Rosenbrock; SDGD time 481 minutes (10,000 D) and 855 minutes (100,000 D)
Section 5.3, Table 5 · “The baselines, employing full batch gradient descent, experience slower speed and increased memory requirements in higher-dimensional scenarios.”
negative-not-achievable
informative
informs HYP
RESSDGD's HJB errors at 10,000 D and 100,000 D were 4.926E-2 and 4.852E-2 (Log) and 4.168E-2 and 4.091E-2 (Rosenbrock), well above the 5.852E-3 and 4.153E-3 reached at 1,000 D.
Rel. L2 error, SDGD: HJB-Log 4.926E-2 (10,000 D), 4.852E-2 (100,000 D) vs 5.852E-3 (1,000 D); HJB-Rosenbrock 4.168E-2, 4.091E-2 vs 4.153E-3; no competing method available at these dimensions
Section 5.3, Table 5 · “specifically 10,000 and 100,000 dimensions, with resulting relative L2 errors of approximately 5E-2”
partial
informative
informs HYP
EXPCoupled quantum harmonic oscillator Schrodinger eigenvalue problem, Tensor Neural Network with SDGD gradient accumulation, 100 to 20,000 D, relative L1 error of smallest eigenvalue
Gradient accumulation fits 20,000 D within GPU memory with eigenvalue error below 1e-6, but the separable TNN exposes a memory bottleneck SDGD does not address.
case studypartial
RESTraining reached 2x10^4 dimensions within GPU memory with relative eigenvalue error below 1e-6, but per-dimension TNN memory and the integral denominator are a shortcoming SDGD cannot sample.
Relative L1 error of smallest eigenvalue < 1e-6 in all tested dimensions (100, 1,000, 10,000, 20,000 D with batches 50, 500, 5000, 2500); 50K epochs; shown only as convergence curves, no table; not compared with full-batch GD
Section 5.4.3, Figure 2 · “Despite the satisfactory convergence results, these problems demonstrate one shortcoming of our proposed approach.”
partial
informative
informs HYP
  • ISS SDGD needs a relatively large dimension batch size |I| in extremely high dimensions; too small a batch raises gradient variance and slows convergence (|I| >= 100 suggested). (open-question · Section 6 Conclusions; Section 4.4)
  • ISS Outside the boundary+residual form (Schrodinger eigenvalue with an integral denominator) sampling integration points biases the gradient; an unbiased estimator is still open. (open-question · Section 5.4.3; Section 6 Conclusions)
  • ISS Algorithm 3 (one sample for both passes) is biased yet is the variant behind the 100,000-D results; the convergence theory covers only the unbiased Algorithms 1 and 2. (open-question · Section 3.5; Section 4)
  • ISS Applying SDGD to physics-informed neural operators (DeepONet, FNO) and to general high-dimensional regression or classification is proposed but not tested. (untried · Section 6 Conclusions)

Extraction notes: Version: the text is the arXiv preprint 2307.12306v6 dated 17 May 2024 (header on page 1), not the typeset Neural Networks article; the DOI 10.1016/j.neunet.2024.106369 was supplied with the task and does not appear in the text. Appendix A holds only proofs; the introduction promises 'more examples' in the appendices but none appear in this text, and the References start at the end of A.4. All experiments state 5 independent seeds, yet Tables 1-5 report single numbers with no standard deviation, confidence interval or range, so no finding carries variance. Self-inconsistency: Section 5.3 prose says Wang et al. [60] needed '1 day' for 1e-2 error at 250 D, while Table 5 lists 38 hours; the 3.5 hours in the prose matches the 210 minutes in the table. Two references are each called RS-PINN: Section 4.5.1 names Hu et al. [28] as RS-PINN but says He et al. [23] in Table 5 'is the RS-PINN'; the only numerical RS-PINN comparison is therefore the He et al. column of Table 5, and the rest of Section 4.5.1 (bias for nonlinear PDEs, over-smoothing, no derivatives above second order) is argument, not experiment. The HTE comparison in Section 4.5.2 concedes that under a fair JAX comparison 'they perform similarly', citing Table 1 of the HTE paper, which is not reproduced here. My readings, not the authors' words: 'N.A.' for vanilla PINN at 10,000 and 100,000 D in Table 1 is out-of-memory per the caption; 'N.A.' for (|I|,|B|)=(1,10000) in Table 2 and for Algorithm 1 at 10,000 and 100,000 D in Table 3 I read as runs not completed, since the listed times (1518.22 h, >24 h, >120 h) are given without an error; the paper does not say so explicitly. For Table 4 the paper says 'we adopt other methods' settings' but does not state whether the FBSNN, DeepBSDE and DeepSplitting numbers were rerun by the authors or copied from the original papers, so the supports valence there rests on an unverified baseline provenance; several Sine-Gordon margins are within the same order of magnitude. The HJB errors of about 5E-2 at 10,000 and 100,000 D are reported by the authors; the observation that they are far above the 1,000-D errors is my juxtaposition of their numbers. The Schrodinger result is given only as convergence curves (Figure 2) and the phrase 'less than 1e-6'; no table. The theory (Theorems 4.1-4.3: unbiasedness, variance reduction, convergence under bounded variance) is not encoded as an experiment. The question-level outcomeClass 'positive' is my summary of the paper's own verdict.

Bayesian PINNs on real-world COVID-19 case data with a damped harmonic oscillator (CMAME, 2022)

Computer Methods in Applied Mechanics and Engineering, 2022

Read left to right. The question (QUE) is addressed by 5 experiments (EXP), each producing results (RES), and each result bears on the hypothesis (HYP). 3 support it, 1 oppose it, 8 inform it. Issues (ISS) hang below: what the paper leaves open.

HYP, in the authors’ words (Abstract): “Our Physics-Informed Neural Networks can seamlessly integrate data and physics, robustly solve forward and inverse problems, and perform well for both interpolation and extrapolation, even for a small amount of noisy and incomplete data.”

Discourse graph of Bayesian PINNs on real-world COVID-19 case data with a damped harmonic oscillator (CMAME, 2022) que addresses pinn-network-size-grid-search que addresses weighting-coefficient-sensitivity que addresses six-model-comparison-225-days que addresses bayesian-inference-posteriors-and-training-size que addresses pinn-family-convergence-and-scaling pinn-network-size-grid-search produces one-layer-poor-at-any-width one-layer-poor-at-any-width informs hyp pinn-network-size-grid-search produces no-gain-beyond-eight-nodes no-gain-beyond-eight-nodes informs hyp weighting-coefficient-sensitivity produces epsilon-one-trivial-solution epsilon-one-trivial-solution informs hyp weighting-coefficient-sensitivity produces epsilon-tradeoff-and-self-adaptive-match epsilon-tradeoff-and-self-adaptive-match supports hyp weighting-coefficient-sensitivity produces pinn-recovers-oscillator-parameters pinn-recovers-oscillator-parameters supports hyp six-model-comparison-225-days produces nn-flatlines-pinn-bi-extrapolate nn-flatlines-pinn-bi-extrapolate supports hyp six-model-comparison-225-days produces bnn-fails-outside-window bnn-fails-outside-window informs hyp six-model-comparison-225-days produces bpinn-prediction-verdict-inconsistent bpinn-prediction-verdict-inconsistent informs hyp bayesian-inference-posteriors-and-training-size produces bi-credible-intervals-narrow-with-data bi-credible-intervals-narrow-with-data informs hyp bayesian-inference-posteriors-and-training-size produces bpinn-posteriors-wider-than-bi bpinn-posteriors-wider-than-bi opposes hyp pinn-family-convergence-and-scaling produces pinn-needs-data-sapinn-does-not pinn-needs-data-sapinn-does-not informs hyp pinn-family-convergence-and-scaling produces scaling-by-k-improves-fit scaling-by-k-improves-fit informs hyp pinn-network-size-grid-search informs six-model-comparison-225-days: The grid search fixes the architecture (two hidden layers, 32 nodes) used by every network model in the comparison, even though eight nodes performed about as well. weighting-coefficient-sensitivity informs six-model-comparison-225-days: The sensitivity study selects epsilon = 1e-3 for the PINN and shows the NN (epsilon = 0) flatline that the comparison reports. weighting-coefficient-sensitivity comparedWith bayesian-inference-posteriors-and-training-size: PINN point estimates c = 1.251, k = 374.6, x0 = 0.558 are compared with BI posterior means c = 1.111, k = 402.4, x0 = 0.541 and said to compare well. bayesian-inference-posteriors-and-training-size extends pinn-family-convergence-and-scaling: The training-size sensitivity run for BI in Figure 10 is extended to PINN, SA-PINN and B-PINN in Figure 13. pinn-family-convergence-and-scaling informs six-model-comparison-225-days: The scaling study (Figure 15) is offered as the fix for the B-PINN's weak or inconsistent predictive verdict in Figure 14. ISS · open questions and untried branches this path leaves behind QUE · partial How do Neural Networks, Bayesian Inference and their combinations (PINN, SA-PINN, BNN, B-PINN) fit and predict real COVID-19 case data modelled as a damped harmonic oscillator? How do Neural Networks, Bayesian Inference and their combinations (PINN, SA-PINN, BNN, B-PINN) fit and predict real COVID-19 case data modelled as a damped harmonic oscillator? HYP Physics-Informed Neural Networks integrate data and physics, robustly solve forward and inverse problems, and perform well for interpolation and extrapolation even on small, noisy, incomplete data. Physics-Informed Neural Networks integrate data and physics, robustly solve forward and inverse problems, and perform well for interpolation and extrapolation even on small, noisy, incomplete data. EXP · partial Grid search over PINN architecture on 2021 worldwide daily COVID-19 cases: one vs two hidden layers with 2, 4, 8 nodes (7 to 97 parameters), plus 16 and 32… Grid search over PINN architecture on 2021 worldwide daily COVID-19 cases: one vs two hidden layers with 2, 4, 8 nodes (7 to 97 parameters), plus 16 and 32 nodes; single run each RES · negative-no-effect One-hidden-layer PINNs with 2, 4 or 8 nodes (7, 13, 25 parameters) perform poorly regardless of node count; two-… One-hidden-layer PINNs with 2, 4 or 8 nodes (7, 13, 25 parameters) perform poorly regardless of node count; two-hidden-layer models perform well even with eight nodes (97 parameters). RES · negative-no-effect Simulations with 16 and 32 nodes per layer did not increase PINN performance markedly beyond the eight-node models… Simulations with 16 and 32 nodes per layer did not increase PINN performance markedly beyond the eight-node models, yet the paper uses two hidden layers with 32 nodes throughout. EXP · partial Classical NN (epsilon = 0) vs PINN with epsilon from 1e-5 to 1 on 225 of 365 training days; descriptive and predictive data and physics losses… Classical NN (epsilon = 0) vs PINN with epsilon from 1e-5 to 1 on 225 of 365 training days; descriptive and predictive data and physics losses; parameter history at epsilon = 1e-3 RES · negative-not-achievable At epsilon = 1 the loss reduces to physics only and the network converges to the trivial zero-amplitude solution… At epsilon = 1 the loss reduces to physics only and the network converges to the trivial zero-amplitude solution, ignoring all data. RES · positive Increasing epsilon raises descriptive data loss but lowers predictive data loss and both physics losses; a… Increasing epsilon raises descriptive data loss but lowers predictive data loss and both physics losses; a reasonable epsilon is about 1e-3, matching the SA-PINN's learned 0.007 +/- 0.003. RES · positive At epsilon = 1e-3 the PINN physics parameters converge after 60K epochs to c = 1.251, k = 374.6, x0 = 0.558, givin… At epsilon = 1e-3 the PINN physics parameters converge after 60K epochs to c = 1.251, k = 374.6, x0 = 0.558, giving a period T = 0.325 years that matches the three 2021 waves. EXP · partial Side-by-side comparison of NN, PINN, SA- PINN, BI, BNN and B-PINN trained on the first 225 of 365 days of 2021 worldwide COVID-19 cases, predicting the remainin… Side-by-side comparison of NN, PINN, SA-PINN, BI, BNN and B-PINN trained on the first 225 of 365 days of 2021 worldwide COVID-19 cases, predicting the remaining 140 days RES · positive The classical NN fits the first 225 days but predicts a flatline for the remaining 140 days, whereas PINN and BI… The classical NN fits the first 225 days but predicts a flatline for the remaining 140 days, whereas PINN and BI remain close to the seven-day average throughout the year. RES · negative-not-achievable The Bayesian NN (2306 unknowns) fits the training data but fails to predict outside the training window, where it… The Bayesian NN (2306 unknowns) fits the training data but fails to predict outside the training window, where it produces wide credible intervals. RES · partial The B-PINN fits the training data well; the Figure 14 caption says it fails outside the training window, the… The B-PINN fits the training data well; the Figure 14 caption says it fails outside the training window, the Discussion says its predictive potential is reasonable, Table 1 says moderate. EXP · partial Classical BI (NUTS, PyMC3) with training windows of 150 to 275 days, and posterior parameter distributions of BI vs B-PINN (HMC) at 225 training days Classical BI (NUTS, PyMC3) with training windows of 150 to 275 days, and posterior parameter distributions of BI vs B-PINN (HMC) at 225 training days RES · positive With training data growing from 150 to 275 days, BI descriptive error rises, predictive error falls and credible… With training data growing from 150 to 275 days, BI descriptive error rises, predictive error falls and credible intervals narrow; all six windows agree reasonably with data beyond training. RES · negative-no-effect B-PINN posteriors (c = 1.312 +/- 0.391, k = 319.4 +/- 38.6, x0 = 0.571 +/- 0.020) are wider than BI's (c = 1.111… B-PINN posteriors (c = 1.312 +/- 0.391, k = 319.4 +/- 38.6, x0 = 0.571 +/- 0.020) are wider than BI's (c = 1.111 +/- 0.126, k = 402.4 +/- 1.7, x0 = 0.541 +/- 0.002) by factors 3, 23 and 10. EXP · partial Convergence of PINN, SA-PINN and B-PINN predictive data loss over training sets of 150 to 300 days (Figure 13), and effect of scaling the oscillator… Convergence of PINN, SA-PINN and B-PINN predictive data loss over training sets of 150 to 300 days (Figure 13), and effect of scaling the oscillator equation by k (Figure 15) RES · partial Predictive data loss falls with training size for all three; plain PINN performs poorly at small sizes and converges… Predictive data loss falls with training size for all three; plain PINN performs poorly at small sizes and converges later, SA-PINN performs well even for small sets, B-PINN improves only marginally. RES · positive Both PINN and B-PINN are sensitive to the scaling of the physics equation; rescaling so that k becomes unity… Both PINN and B-PINN are sensitive to the scaling of the physics equation; rescaling so that k becomes unity improves the fit and drastically narrows B-PINN credible intervals. ISS · open-question PINN results are biased towards data or physics by the weighting coefficient epsilon; choosing the epsilon that minimises the sum of all four losses is… PINN results are biased towards data or physics by the weighting coefficient epsilon; choosing the epsilon that minimises the sum of all four losses is left to user judgement. ISS · untried The effect of pre-conditioning and scaling techniques on SA-PINN was not explicitly shown; the method was observed to fail to converge when scale… The effect of pre-conditioning and scaling techniques on SA-PINN was not explicitly shown; the method was observed to fail to converge when scaled inappropriately. ISS · open-question SA-PINN training involves competing multi-term losses in a highly non-convex problem; training may not be robust or stable and does not always reach a… SA-PINN training involves competing multi-term losses in a highly non-convex problem; training may not be robust or stable and does not always reach a global minimum. ISS · next-step All six methods were shown on one simple model problem only (seasonal endemic disease as a damped oscillator); generalisation to other nonlinear… All six methods were shown on one simple model problem only (seasonal endemic disease as a damped oscillator); generalisation to other nonlinear systems is anticipated, not shown.
  • supports positive finding
  • opposes a worse or failed result against a tuned baseline, with variance, an interval or a convergence study to show it is real
  • informs bears on the question without deciding the hypothesis
  • thin grey a relation between two experiments
Nodes, in reading order. Sources: Linka, Schäfer, Meng, Zou, Karniadakis & Kuhl 2022, 10.1016/j.cma.2022.115346; text read: arXiv 2205.08304; the publisher does not serve the article to a machine.
NodeTextTypeOutcomeEdge
EXPGrid search over PINN architecture on 2021 worldwide daily COVID-19 cases: one vs two hidden layers with 2, 4, 8 nodes (7 to 97 parameters), plus 16 and 32 nodes; single run each
Two hidden layers help, but adding nodes beyond eight did not markedly improve performance, and one-hidden-layer models stay poor at any width.
ablationpartial
RESOne-hidden-layer PINNs with 2, 4 or 8 nodes (7, 13, 25 parameters) perform poorly regardless of node count; two-hidden-layer models perform well even with eight nodes (97 parameters).
qualitative fit in Figure 5; parameter counts 7, 13, 25 (one layer) vs 13, 33, 97 (two layers); n runs not stated
Section 3.4, Figure 5 · “the one-hidden-layer models perform poorly, independent of the number of nodes”
negative-no-effect
informative
informs HYP
RESSimulations with 16 and 32 nodes per layer did not increase PINN performance markedly beyond the eight-node models, yet the paper uses two hidden layers with 32 nodes throughout.
qualitative; 16 and 32 nodes vs 8 nodes, one and two hidden layers; no metric values or seeds reported
Section 3.4, Figure 5 and caption · “the performance did not increase markedly beyond the eight-node models”
negative-no-effect
informative
informs HYP
EXPClassical NN (epsilon = 0) vs PINN with epsilon from 1e-5 to 1 on 225 of 365 training days; descriptive and predictive data and physics losses; parameter history at epsilon = 1e-3
PINN results depend strongly on epsilon: small values fit data but extrapolate poorly, epsilon = 1 collapses to a trivial solution, and epsilon of about 1e-3 balances the four losses and recovers oscillator parameters with a four-month period.
sensitivity analysis / inverse problempartial
RESAt epsilon = 1 the loss reduces to physics only and the network converges to the trivial zero-amplitude solution, ignoring all data.
epsilon = 1, Figure 6 bottom right; qualitative, single run
Section 3.4, Figure 6 · “converges to the trivial solution with a zero amplitude”
negative-not-achievable
informative
informs HYP
RESIncreasing epsilon raises descriptive data loss but lowers predictive data loss and both physics losses; a reasonable epsilon is about 1e-3, matching the SA-PINN's learned 0.007 +/- 0.003.
epsilon from 1e-6 to 1e-2 (Figure 7); estimated epsilon ~ 1e-3; SA-PINN learned epsilon(t) mean +/- SD = 0.007 +/- 0.003; loss values shown only graphically
Section 3.4, Figure 7 · “the learned weighting term epsilon(t) with mean and standard deviation of epsilon = 0.007 +/- 0.003”
positive
informative
supports HYP
RESAt epsilon = 1e-3 the PINN physics parameters converge after 60K epochs to c = 1.251, k = 374.6, x0 = 0.558, giving a period T = 0.325 years that matches the three 2021 waves.
c = 1.251, k = 374.6, x0 = 0.558; delta = 0.626, omega = 19.35, T = 0.325 years; ntrn = 225 days; epsilon = 1e-3; single run, no variance
Section 3.4, Figure 8 · “This period of approximately four months agrees well with the reported daily new cases”
positive
informative
supports HYP
EXPSide-by-side comparison of NN, PINN, SA-PINN, BI, BNN and B-PINN trained on the first 225 of 365 days of 2021 worldwide COVID-19 cases, predicting the remaining 140 days
Models with the oscillator physics (PINN, SA-PINN, BI) predict beyond the training window; models without physics (NN, BNN) fit the training data but fail to extrapolate; the B-PINN verdict is stated inconsistently.
benchmark comparison / forecastingpartial
RESThe classical NN fits the first 225 days but predicts a flatline for the remaining 140 days, whereas PINN and BI remain close to the seven-day average throughout the year.
qualitative, Figures 3 and 14; training 225 of 365 days, prediction 140 days; no error metric or seeds reported
Section 2.4, Figure 3; Section 5, Figure 14 · “the neural network model predicts a flatline with constant case numbers for the remaining part of the year”
positive
informative
supports HYP
RESThe Bayesian NN (2306 unknowns) fits the training data but fails to predict outside the training window, where it produces wide credible intervals.
qualitative, Figure 14 middle right; 2306 unknowns; HMC with 3000 tuning and 3000 samples
Section 5, Figure 14, Table 1 · “fail to predict the behavior outside the training window where they generate a wide credible intervals”
negative-not-achievable
informative
informs HYP
RESThe B-PINN fits the training data well; the Figure 14 caption says it fails outside the training window, the Discussion says its predictive potential is reasonable, Table 1 says moderate.
qualitative, Figure 14 bottom right; 2312 unknowns; no error metric reported
Section 5, Figure 14 caption, Table 1 · “Bayesian Physics Informed Neural Networks approximate the training data well, but fail to predict the behavior outside the training window”
partial
informative
informs HYP
EXPClassical BI (NUTS, PyMC3) with training windows of 150 to 275 days, and posterior parameter distributions of BI vs B-PINN (HMC) at 225 training days
BI credible intervals narrow with more training data and its posterior means agree with the PINN, but the B-PINN posteriors are 3 to 23 times wider than BI's, making it more expensive and less robust.
inverse problem / sensitivity analysispartial
RESWith training data growing from 150 to 275 days, BI descriptive error rises, predictive error falls and credible intervals narrow; all six windows agree reasonably with data beyond training.
ntrn = 150, 175, 200, 225, 250, 275 days; qualitative in Figure 10; two NUTS chains, 2000 tuning + 4000 samples
Section 4.4, Figure 10 · “the error in the descriptive window increases and the error in the predictive window decreases”
positive
informative
informs HYP
RESB-PINN posteriors (c = 1.312 +/- 0.391, k = 319.4 +/- 38.6, x0 = 0.571 +/- 0.020) are wider than BI's (c = 1.111 +/- 0.126, k = 402.4 +/- 1.7, x0 = 0.541 +/- 0.002) by factors 3, 23 and 10.
posterior mean +/- SD at ntrn = 225 days; BI: c = 1.111 +/- 0.126, k = 402.4 +/- 1.7, x0 = 0.541 +/- 0.002; B-PINN: c = 1.312 +/- 0.391, k = 319.4 +/- 38.6, x0 = 0.571 +/- 0.020; SD ratios 3, 23, 10 as stated by authors
Section 4.4, Figures 11 and 12 · “not only more expensive than the Bayesian Inference, but also less robust”
negative-no-effect
informative
opposes HYP
EXPConvergence of PINN, SA-PINN and B-PINN predictive data loss over training sets of 150 to 300 days (Figure 13), and effect of scaling the oscillator equation by k (Figure 15)
Plain PINN needs a relatively large training set, SA-PINN performs well even with small sets, B-PINN improves only marginally with more data, and scaling the physics equation improves both PINN variants.
convergence study / ablationpartial
RESPredictive data loss falls with training size for all three; plain PINN performs poorly at small sizes and converges later, SA-PINN performs well even for small sets, B-PINN improves only marginally.
predictive data loss (MSE in prediction window) vs ntrn = [150, 175, 200, 225, 250, 275, 300]; values shown only graphically; n runs not stated
Section 5, Figure 13 · “Physics Informed Neural Networks require a relatively large set of training data”
partial
informative
informs HYP
RESBoth PINN and B-PINN are sensitive to the scaling of the physics equation; rescaling so that k becomes unity improves the fit and drastically narrows B-PINN credible intervals.
qualitative, Figure 15; unscaled x'' + c x' + k(x - x0) vs scaled x''/k + c x'/k + (x - x0); no metric values
Section 5, Figure 15 · “their performance increases drastically, as we conclude from the narrow credible intervals of the scaling study in Figure 15”
positive
informative
informs HYP
  • ISS PINN results are biased towards data or physics by the weighting coefficient epsilon; choosing the epsilon that minimises the sum of all four losses is left to user judgement. (open-question · Section 3.4, Section 5)
  • ISS The effect of pre-conditioning and scaling techniques on SA-PINN was not explicitly shown; the method was observed to fail to converge when scaled inappropriately. (untried · Section 5 (Self Adaptive PINN paragraph))
  • ISS SA-PINN training involves competing multi-term losses in a highly non-convex problem; training may not be robust or stable and does not always reach a global minimum. (open-question · Section 5 (Self Adaptive PINN paragraph))
  • ISS All six methods were shown on one simple model problem only (seasonal endemic disease as a damped oscillator); generalisation to other nonlinear systems is anticipated, not shown. (next-step · Abstract, Section 5 (final paragraph))

Extraction notes: VERSION: the text is the arXiv preprint 2205.08304v2 (cs.LG, 24 May 2022), not the CMAME version of record; the DOI 10.1016/j.cma.2022.115346 was supplied by the caller and does not appear in the text. SCOPE: there is no separate synthetic damped-harmonic-oscillator benchmark; the oscillator is the physics model applied to the 2021 worldwide COVID-19 case data throughout, so the network-size grid search (Figure 5), the epsilon study (Figures 6-7) and all other experiments run on the COVID-19 data. SELF-INCONSISTENCIES IN THE TEXT: (a) the training window is 225 days everywhere except Figure 7 and its caption, which use 255 descriptive days and sum the predictive loss from day 256 to 365 while dividing by 140 (256-365 is 110 days); (b) Section 5 says the BNN has 1053 x 2 = 2306 unknowns while Table 1 and the NN paragraph give 1153 parameters (1153 x 2 = 2306, so 1053 looks like a typo); (c) Section 4.2 gives zero-mean normal priors for BNN weights, but the Discussion says log-normal; (d) the B-PINN's predictive verdict differs between the Figure 14 caption ('fail to predict the behavior outside the training window'), the Discussion ('reasonable predictive potential' and 'perform best'), Table 1 ('moderate predictive potential', 'requires large training data set'), the Figure 13 caption ('performs reasonably well for small data sets but only improves marginally') and the end of Section 4.4 ('more expensive ... but also less robust'); (e) equation (19) lists m among the learned physics parameters although m is fixed to 1 elsewhere; (f) Section 4.1 cites equation (33) before it is defined and Section 4.3 cites Bayes theorem (29) where (32) is meant; (g) Figure 6 varies epsilon from 0 to 1 while Figure 7 varies it from 1e-6 to 1e-2. GARBLED TEXT: the epsilon list in Section 3.4 reads '10-inf, 10-5, 10-4, 10-3, 10-2, 10-0', read here as 0, 1e-5, 1e-4, 1e-3, 1e-2, 1. EVIDENCE QUALITY (my reading): the NN-family comparisons (Figures 3, 5, 6, 13, 14, 15) are single-run qualitative figure readings with no seeds, no variance and no numeric error values in the text; the loss values in Figures 7 and 13 are plotted but never tabulated, so no numbers could be copied for them. The only variance reported is the posterior SDs of BI and B-PINN (Figures 11-12), which is why the B-PINN-vs-BI finding is the only one given valence 'opposes'; that SD is parameter uncertainty from one HMC configuration, not variance over repeated runs, so a reviewer may prefer 'consistent-with'. The percentage differences (18%, 21%, 6%) and SD ratios (3, 23, 10) are the authors' own statements, not my computations. CLASSIFICATION CHOICES THAT ARE MINE: 'negative-not-achievable' for the BNN failing to extrapolate and for the epsilon = 1 trivial solution (the brief's examples are crashes, these are runs that produce useless outputs); 'negative-no-effect' for the one-layer and 16/32-node grid-search results; question-level and B-PINN outcomeClass 'partial'. The hypothesis quote is 31 words. The 'supports' valence on the SA-PINN epsilon finding rests on the authors' statement that the learned 0.007 +/- 0.003 is of the same order as the hand-estimated 1e-3. Issues iss-2 and iss-3 both come from the SA-PINN paragraph of the Discussion; iss-2 is the authors' explicit 'we have not explicitly shown' statement.

APINN soft domain decomposition versus PINN and XPINN on five PDEs (Engineering Applications of Artificial Intelligence, 2023)

Engineering Applications of Artificial Intelligence, 2023

Read left to right. The question (QUE) is addressed by 5 experiments (EXP), each producing results (RES), and each result bears on the hypothesis (HYP). 2 support it, 5 oppose it, 4 inform it. Issues (ISS) hang below: what the paper leaves open.

HYP, in the authors’ words (Abstract): “Specifically, we present examples where XPINN performs similarly to or worse than PINN, so that APINN can significantly improve both. We also show cases where XPINN is already better than PINN, so APINN can still slightly improve XPINN.”

Discourse graph of APINN soft domain decomposition versus PINN and XPINN on five PDEs (Engineering Applications of Artificial Intelligence, 2023) que addresses burgers-benchmark que addresses helmholtz-benchmark que addresses klein-gordon-benchmark que addresses wave-benchmark que addresses boussinesq-burger-system burgers-benchmark produces burgers-xpinn-worse-than-pinn burgers-xpinn-worse-than-pinn opposes hyp burgers-benchmark produces burgers-apinn-x-best burgers-apinn-x-best supports hyp burgers-benchmark produces burgers-mpinn-init-worse burgers-mpinn-init-worse informs hyp helmholtz-benchmark produces helmholtz-xpinnv1-worse-than-pinn helmholtz-xpinnv1-worse-than-pinn opposes hyp helmholtz-benchmark produces helmholtz-apinn-vs-xpinnv2 helmholtz-apinn-vs-xpinnv2 informs hyp klein-gordon-benchmark produces klein-gordon-xpinn-vs-pinn klein-gordon-xpinn-vs-pinn opposes hyp klein-gordon-benchmark produces klein-gordon-apinn-marginal klein-gordon-apinn-marginal informs hyp klein-gordon-benchmark produces klein-gordon-apinn-m-f-fails klein-gordon-apinn-m-f-fails opposes hyp wave-benchmark produces wave-apinn-vs-xpinn wave-apinn-vs-xpinn informs hyp boussinesq-burger-system produces boussinesq-apinn-m-best boussinesq-apinn-m-best supports hyp boussinesq-burger-system produces boussinesq-four-subdomains-worse boussinesq-four-subdomains-worse opposes hyp helmholtz-benchmark extends burgers-benchmark: Same PINN/XPINN settings as Burgers; the XPINNv2 first-derivative continuity term that did nothing for Burgers (1.304E-1) rescues XPINN on Helmholtz (1.297E-3, below PINN). klein-gordon-benchmark confirms helmholtz-benchmark: Identical experimental settings except the split (x>0.5) and 200k Adam epochs; repeats the pattern XPINNv1 fails at the interface, XPINNv2 is competitive with PINN, trainable APINN marginally lower. wave-benchmark contradicts burgers-benchmark: On Burgers the XPINN-type initialisation (APINN-X) beats the MPINN-type (APINN-M); on the wave equation (and Klein-Gordon and Boussinesq-Burger) the order reverses and APINN-X does not beat XPINNv2, so no single initialisation is best. boussinesq-burger-system extends wave-benchmark: Moves from scalar PDEs to a two-unknown system, adds four-subdomain variants at matched parameter counts, and shows more subdomains hurt both XPINN and APINN. ISS · open questions and untried branches this path leaves behind QUE · partial Does a trainable gating network giving soft, interface-free domain decomposition with shared parameters lower PDE solution error relative to PINN and hard-decomposition XPINN? Does a trainable gating network giving soft, interface-free domain decomposition with shared parameters lower PDE solution error relative to PINN and hard-decomposition XPINN? HYP APINN improves on both PINN and XPINN: significantly where XPINN performs similarly to or worse than PINN, and slightly where XPINN is already better than PINN. APINN improves on both PINN and XPINN: significantly where XPINN performs similarly to or worse than PINN, and slightly where XPINN is already better than PINN. EXP · positive 1D viscous Burgers equation (nu=0.01/pi): PINN (3441 params, 20000 residual pts) vs XPINNv1/v2 (split at x>0) vs APINN-X, APINN-M and fixed-gate… 1D viscous Burgers equation (nu=0.01/pi): PINN (3441 params, 20000 residual pts) vs XPINNv1/v2 (split at x>0) vs APINN-X, APINN-M and fixed-gate variants; 10 runs each RES · negative-not-replicated On Burgers both XPINNs are roughly 100x worse than PINN: XPINNv1 1.490E-1, XPINNv2 1.304E-1 versus PINN 1.620E-3… On Burgers both XPINNs are roughly 100x worse than PINN: XPINNv1 1.490E-1, XPINNv2 1.304E-1 versus PINN 1.620E-3 relative L2, 10 runs. RES · positive APINN-X reaches 9.109E-4 relative L2 versus 1.620E-3 for PINN and 1.490E-1 for XPINNv1; even the fixed-gate APINN-… APINN-X reaches 9.109E-4 relative L2 versus 1.620E-3 for PINN and 1.490E-1 for XPINNv1; even the fixed-gate APINN-X-F (1.293E-3) beats XPINN by far. RES · partial The MPINN-type initialisation (APINN-M, 1.137E-3) does worse than the XPINN-type APINN-X (9.109E-4) on Burgers, and its… The MPINN-type initialisation (APINN-M, 1.137E-3) does worse than the XPINN-type APINN-X (9.109E-4) on Burgers, and its trained gate weights are unstable across seeds (about 0.9/0.1 vs 0.6/0.4). EXP · partial 2D Helmholtz equation on [-1,1]^2 with analytic sine solution: PINN (10000 residual pts) vs XPINNv1/v2 (split at y>0, 5000 pts per sub-net) vs four APIN… 2D Helmholtz equation on [-1,1]^2 with analytic sine solution: PINN (10000 residual pts) vs XPINNv1/v2 (split at y>0, 5000 pts per sub-net) vs four APINN variants; 10 runs RES · negative-not-replicated XPINNv1 gives 5.222E-2 relative L2 on Helmholtz versus 2.438E-3 for PINN, about 20x worse, because its interface… XPINNv1 gives 5.222E-2 relative L2 on Helmholtz versus 2.438E-3 for PINN, about 20x worse, because its interface loss does not enforce continuity. RES · partial XPINNv2 reduces PINN error by 47% (1.297E-3 vs 2.438E-3); APINN-X at 1.275E-3 is only marginally lower than… XPINNv2 reduces PINN error by 47% (1.297E-3 vs 2.438E-3); APINN-X at 1.275E-3 is only marginally lower than XPINNv2 and the gap is inside the reported spread. EXP · partial Nonlinear Klein-Gordon equation on [0,1]^2: PINN vs XPINNv1/v2 (split at x>0.5) vs four APINN variants, Adam 200k epochs then L-BFGS; 10 runs Nonlinear Klein-Gordon equation on [0,1]^2: PINN vs XPINNv1/v2 (split at x>0.5) vs four APINN variants, Adam 200k epochs then L-BFGS; 10 runs RES · negative-not-replicated XPINNv1 reaches 5.980E-1 relative L2 on Klein-Gordon versus 3.565E-3 for PINN, while XPINNv2 (3.700E-3) performs the… XPINNv1 reaches 5.980E-1 relative L2 on Klein-Gordon versus 3.565E-3 for PINN, while XPINNv2 (3.700E-3) performs the same as PINN. RES · partial APINN-M (2.846E-3) and APINN-X (3.030E-3) have lower mean relative L2 than PINN (3.565E-3) and XPINNv2… APINN-M (2.846E-3) and APINN-X (3.030E-3) have lower mean relative L2 than PINN (3.565E-3) and XPINNv2 (3.700E-3) on Klein-Gordon, but the differences are within one reported spread. RES · negative-no-effect The fixed-gate MPINN-type variant APINN- M-F gives 3.197E-2 relative L2 on Klein- Gordon, about 10x worse than PINN… The fixed-gate MPINN-type variant APINN-M-F gives 3.197E-2 relative L2 on Klein-Gordon, about 10x worse than PINN (3.565E-3); the text does not comment on it. EXP · partial 1D wave equation u_tt=4u_xx on [0,1]^2: PINN vs XPINNv2 (split at t>0.5) vs APINN-X and APINN-M, Adam 100k epochs then L-BFGS; 10 runs 1D wave equation u_tt=4u_xx on [0,1]^2: PINN vs XPINNv2 (split at t>0.5) vs APINN-X and APINN-M, Adam 100k epochs then L-BFGS; 10 runs RES · partial On the wave equation XPINNv2 (1.378E-3) beats PINN (1.900E-3) by 27%; APINN-M (1.299E-3) is slightly lower, while… On the wave equation XPINNv2 (1.378E-3) beats PINN (1.900E-3) by 27%; APINN-M (1.299E-3) is slightly lower, while APINN-X (1.492E-3) is worse than XPINNv2. EXP · partial Boussinesq-Burger system (unknowns u, v) on [-10,15]x[-3,2]: PINN vs XPINN (2 subdomains) and XPINN4 (4) vs APINN-X/M and APINN4-X/M at matched parameter… Boussinesq-Burger system (unknowns u, v) on [-10,15]x[-3,2]: PINN vs XPINN (2 subdomains) and XPINN4 (4) vs APINN-X/M and APINN4-X/M at matched parameter counts; 10 runs RES · positive APINN-M gives the lowest relative L2 for both unknowns: u 1.091E-02 and v 8.185E-02, versus PINN u 1.470E-02, v… APINN-M gives the lowest relative L2 for both unknowns: u 1.091E-02 and v 8.185E-02, versus PINN u 1.470E-02, v 1.106E-01 and XPINN u 1.456E-02, v 9.786E-02. RES · negative-no-effect Four-subdomain models do worse than PINN: for u, XPINN4 3.254E-02 and APINN4-X 2.559E-02 versus PINN… Four-subdomain models do worse than PINN: for u, XPINN4 3.254E-02 and APINN4-X 2.559E-02 versus PINN 1.470E-02; for v, XPINN4 2.706E-01 and APINN4-X 1.676E-01 versus PINN 1.106E-01. ISS · open-question Initialisation decides APINN performance: a trained gate keeps its initial type (MPINN-type cannot become XPINN-type), so how to design the… Initialisation decides APINN performance: a trained gate keeps its initial type (MPINN-type cannot become XPINN-type), so how to design the optimal decomposition stays open. ISS · open-question APINN shares more data points and parameters than XPINN and can therefore be more expensive in parallel settings; no wall-clock or memory cost is… APINN shares more data points and parameters than XPINN and can therefore be more expensive in parallel settings; no wall-clock or memory cost is measured. ISS · open-question Four sub-nets do worse than two for both XPINN and APINN on Boussinesq-Burger, attributed to the complexity-versus- samples tradeoff; how many subdomains t… Four sub-nets do worse than two for both XPINN and APINN on Boussinesq-Burger, attributed to the complexity-versus-samples tradeoff; how many subdomains to use is unresolved. ISS · untried Errors of APINN, XPINNv2 and PINN concentrate near the boundary on Helmholtz, attributed to gradient pathology, which the method does not… Errors of APINN, XPINNv2 and PINN concentrate near the boundary on Helmholtz, attributed to gradient pathology, which the method does not address.
  • supports positive finding
  • opposes a worse or failed result against a tuned baseline, with variance, an interval or a convergence study to show it is real
  • informs bears on the question without deciding the hypothesis
  • thin grey a relation between two experiments
Nodes, in reading order. Sources: Hu, Jagtap, Karniadakis & Kawaguchi 2023, 10.1016/j.engappai.2023.107183; text read: arXiv 2211.08939; the publisher does not serve the article to a machine.
NodeTextTypeOutcomeEdge
EXP1D viscous Burgers equation (nu=0.01/pi): PINN (3441 params, 20000 residual pts) vs XPINNv1/v2 (split at x>0) vs APINN-X, APINN-M and fixed-gate variants; 10 runs each
APINN-X gives the lowest relative L2 error; both XPINNs are two orders of magnitude worse than PINN because of errors at the interface in the steep region.
benchmark comparisonpositive
RESOn Burgers both XPINNs are roughly 100x worse than PINN: XPINNv1 1.490E-1, XPINNv2 1.304E-1 versus PINN 1.620E-3 relative L2, 10 runs.
Rel. L2: PINN 1.620E-3±7.632E-4; XPINNv1 1.490E-1±6.781E-3; XPINNv2 1.304E-1±7.256E-3; Burgers equation; averaged over 10 independent runs (best L2 over the optimization)
Section 6.1.3, Table 1 · “XPINN performs much worse than PINN, due to the large error near the interface, where the steep region is located.”
negative-not-replicated
informative
opposes HYP
RESAPINN-X reaches 9.109E-4 relative L2 versus 1.620E-3 for PINN and 1.490E-1 for XPINNv1; even the fixed-gate APINN-X-F (1.293E-3) beats XPINN by far.
Rel. L2: APINN-X 9.109E-4±3.689E-4; APINN-X-F 1.293E-3±4.629E-4; PINN 1.620E-3±7.632E-4; XPINNv1 1.490E-1±6.781E-3; Burgers; 10 independent runs
Section 6.1.3, Table 1 · “APINN-X performs the best because its parameters are more flexible than those of PINN, and it does not require interface conditions like in XPINN”
positive
informative
supports HYP
RESThe MPINN-type initialisation (APINN-M, 1.137E-3) does worse than the XPINN-type APINN-X (9.109E-4) on Burgers, and its trained gate weights are unstable across seeds (about 0.9/0.1 vs 0.6/0.4).
Rel. L2: APINN-M 1.137E-3±7.675E-4 vs APINN-X 9.109E-4±3.689E-4; APINN-M-F 1.375E-3±6.732E-4; Burgers; 10 runs; two APINN-M seeds in Fig. 7 give 6.936E-4 and 8.284E-4 with gate weights ≈0.9/0.1 and ≈0.6/0.4
Section 6.1.3 and 6.1.4, Table 1, Figure 7 · “the training of MPINN-type decomposition is unstable, that APINN-M is worse than its XPINN counterpart in the Burgers problem”
partial
informative
informs HYP
EXP2D Helmholtz equation on [-1,1]^2 with analytic sine solution: PINN (10000 residual pts) vs XPINNv1/v2 (split at y>0, 5000 pts per sub-net) vs four APINN variants; 10 runs
XPINNv1 is 20x worse than PINN, XPINNv2 cuts PINN error by 47%, and APINN-X edges XPINNv2 by a margin smaller than the run-to-run spread.
benchmark comparisonpartial
RESXPINNv1 gives 5.222E-2 relative L2 on Helmholtz versus 2.438E-3 for PINN, about 20x worse, because its interface loss does not enforce continuity.
Rel. L2: XPINNv1 5.222E-2±4.001E-3 vs PINN 2.438E-3±5.196E-4; Helmholtz; 10 independent runs (lowest errors during optimization)
Section 6.2.3, Table 2 · “XPINNv1 performs the worst, since its interface loss cannot enforce the interface continuity satisfactorily.”
negative-not-replicated
informative
opposes HYP
RESXPINNv2 reduces PINN error by 47% (1.297E-3 vs 2.438E-3); APINN-X at 1.275E-3 is only marginally lower than XPINNv2 and the gap is inside the reported spread.
Rel. L2: XPINNv2 1.297E-3±1.786E-4; APINN-X 1.275E-3±4.710E-4; APINN-M 1.477E-3±5.679E-4; APINN-X-F 1.554E-3±3.203E-4; APINN-M-F 1.911E-3±3.850E-4; PINN 2.438E-3±5.196E-4; Helmholtz; 10 runs
Section 6.2 and 6.2.3, Table 2 · “XPINNv2 reduces 47% the relative L2 error compared to PINN, but it still performs worse than our APINN”
partial
informative
informs HYP
EXPNonlinear Klein-Gordon equation on [0,1]^2: PINN vs XPINNv1/v2 (split at x>0.5) vs four APINN variants, Adam 200k epochs then L-BFGS; 10 runs
XPINNv1 fails at the interface, XPINNv2 matches PINN, trainable APINNs are marginally better than both within the spread, and the fixed-gate APINN-M-F is 10x worse than PINN.
benchmark comparisonpartial
RESXPINNv1 reaches 5.980E-1 relative L2 on Klein-Gordon versus 3.565E-3 for PINN, while XPINNv2 (3.700E-3) performs the same as PINN.
Rel. L2: XPINNv1 5.980E-1±7.601E-2; XPINNv2 3.700E-3±2.741E-4; PINN 3.565E-3±9.412E-4; Klein-Gordon; 10 independent runs
Section 6.3.3, Table 3 · “XPINNv1 performs the worst, since the interface loss of XPINNv1 cannot enforce the interface continuity well, while XPINNv2 performs similarly to PINN”
negative-not-replicated
informative
opposes HYP
RESAPINN-M (2.846E-3) and APINN-X (3.030E-3) have lower mean relative L2 than PINN (3.565E-3) and XPINNv2 (3.700E-3) on Klein-Gordon, but the differences are within one reported spread.
Rel. L2: APINN-M 2.846E-3±8.568E-4; APINN-X 3.030E-3±1.474E-3; APINN-X-F 3.195E-3±8.112E-4; PINN 3.565E-3±9.412E-4; XPINNv2 3.700E-3±2.741E-4; Klein-Gordon; 10 runs
Section 6.3.3, Table 3 · “APINN performs better than all XPINNs and PINNs, and APINN-M is slightly better than APINN-X.”
partial
informative
informs HYP
RESThe fixed-gate MPINN-type variant APINN-M-F gives 3.197E-2 relative L2 on Klein-Gordon, about 10x worse than PINN (3.565E-3); the text does not comment on it.
Rel. L2: APINN-M-F 3.197E-2±6.253E-3 vs PINN 3.565E-3±9.412E-4 and APINN-M 2.846E-3±8.568E-4; Klein-Gordon; 10 runs
Table 3 · “APINN-M-F ... 3.197E-2±6.253E-3”
negative-no-effect
informative
opposes HYP
EXP1D wave equation u_tt=4u_xx on [0,1]^2: PINN vs XPINNv2 (split at t>0.5) vs APINN-X and APINN-M, Adam 100k epochs then L-BFGS; 10 runs
XPINNv2 already cuts PINN error by 27%; APINN-M is slightly lower still, but APINN-X has a higher mean error than XPINNv2.
benchmark comparisonpartial
RESOn the wave equation XPINNv2 (1.378E-3) beats PINN (1.900E-3) by 27%; APINN-M (1.299E-3) is slightly lower, while APINN-X (1.492E-3) is worse than XPINNv2.
Rel. L2: PINN 1.900E-3±3.375E-4; XPINNv2 1.378E-3±2.424E-4; APINN-X 1.492E-3±7.041E-4; APINN-M 1.299E-3±2.941E-4; wave equation; 10 independent runs (error at the epoch with smaller training loss among the last 10% epochs)
Section 6.4.3, Table 4 · “Although XPINN is already much better than PINN and reduces by 27% the relative L2 of PINN, APINN can still slightly improve over XPINN”
partial
informative
informs HYP
EXPBoussinesq-Burger system (unknowns u, v) on [-10,15]x[-3,2]: PINN vs XPINN (2 subdomains) and XPINN4 (4) vs APINN-X/M and APINN4-X/M at matched parameter counts; 10 runs
Two-subnet APINN-M is best for both unknowns, while the four-subdomain XPINN4 and APINN4-X are worse than plain PINN.
benchmark comparisonpartial
RESAPINN-M gives the lowest relative L2 for both unknowns: u 1.091E-02 and v 8.185E-02, versus PINN u 1.470E-02, v 1.106E-01 and XPINN u 1.456E-02, v 9.786E-02.
Rel. L2 for u: APINN-M 1.091E-02±4.588E-03; APINN-X 1.388E-02±4.310E-03; XPINN 1.456E-02±6.391E-03; PINN 1.470E-02±6.297E-03. For v: APINN-M 8.185E-02±2.973E-02; APINN-X 9.623E-02±2.446E-02; XPINN 9.786E-02±3.485E-02; PINN 1.106E-01±4.498E-02; 10 runs
Section 6.5.3, Tables 5 and 6 · “APINN-M performs the best.”
positive
informative
supports HYP
RESFour-subdomain models do worse than PINN: for u, XPINN4 3.254E-02 and APINN4-X 2.559E-02 versus PINN 1.470E-02; for v, XPINN4 2.706E-01 and APINN4-X 1.676E-01 versus PINN 1.106E-01.
Rel. L2 for u: XPINN4 3.254E-02±1.025E-02; APINN4-X 2.559E-02±6.554E-03; APINN4-M 1.328E-02±8.099E-03; PINN 1.470E-02±6.297E-03. For v: XPINN4 2.706E-01±9.078E-02; APINN4-X 1.676E-01±4.946E-02; APINN4-M 9.616E-02±5.397E-02; PINN 1.106E-01±4.498E-02; 10 runs; parameter counts PINN 6882, XPINN4 7368, APINN4 7046
Section 6.5.3, Tables 5 and 6 · “APINN and XPINN with four sub-nets do not perform as well as their two sub-net counterparts”
negative-no-effect
informative
opposes HYP
  • ISS Initialisation decides APINN performance: a trained gate keeps its initial type (MPINN-type cannot become XPINN-type), so how to design the optimal decomposition stays open. (open-question · Section 6.5.4 and Abstract)
  • ISS APINN shares more data points and parameters than XPINN and can therefore be more expensive in parallel settings; no wall-clock or memory cost is measured. (open-question · Section 7)
  • ISS Four sub-nets do worse than two for both XPINN and APINN on Boussinesq-Burger, attributed to the complexity-versus-samples tradeoff; how many subdomains to use is unresolved. (open-question · Section 6.5.3)
  • ISS Errors of APINN, XPINNv2 and PINN concentrate near the boundary on Helmholtz, attributed to gradient pathology, which the method does not address. (untried · Section 6.2.3)

Extraction notes: Version: the text is the arXiv preprint 2211.08939v3 (header 'arXiv:2211.08939v3 [cs.LG] 30 Sep 2023', title 'Augmented Physics-Informed Neural Networks (APINNs): A gating network-based soft domain decomposition methodology'), not the Engineering Applications of Artificial Intelligence typeset version; the DOI was supplied by the caller and does not appear in the text. Self-inconsistencies in the paper: (a) Section 6.1.3 says 'APINN-X-F with a fixed gate function performs slightly worse than PINN and APINN', but Table 1 gives APINN-X-F 1.293E-3 versus PINN 1.620E-3, i.e. better than PINN; I used the table. (b) Section 6.4 claims 'APINN still performs slightly better than XPINN', but in Table 4 only APINN-M (1.299E-3) has a lower mean than XPINNv2 (1.378E-3); APINN-X (1.492E-3) is worse. This is recorded in the wave finding. (c) Section 6.1.4 says the two APINN-M seeds in Figure 7 'differ a lot' in performance, but the caption gives 6.936E-4 and 8.284E-4, a smaller gap than between the APINN-X seeds' trained gates would suggest; recorded as the authors' statement. (d) Section 6.2.4 says 'XPINN outperforms PINN' on Helmholtz, which holds for XPINNv2 only. (e) Section 6.1.4 says 'APINN-M is worse than its XPINN counterpart in the Burgers problem'; I read 'XPINN counterpart' as APINN-X (the XPINN-initialised APINN), since APINN-M beats both actual XPINNs by two orders of magnitude. Garbled text: Section 6.4 reads 'its relative L2 error is 27However'; the 27% figure was recovered from Section 6.4.3 ('reduces by 27% the relative L2 of PINN'). Missing in the text: the Helmholtz constants a1, a2, k are never given; XPINNv1 is not reported for the wave equation; the quantity after ± is never defined (I assume a standard deviation over the 10 runs, inferred); no significance tests, timings or memory numbers are reported. Model selection differs across problems and is my reading of a concern, not the authors': Burgers and Helmholtz report the best (lowest) test L2 over the whole optimisation, wave and Boussinesq-Burger report the error at the epoch with the lower training loss among the last 10% of epochs, Klein-Gordon does not say. The Klein-Gordon finding that APINN-M-F is about 10x worse than PINN (3.197E-2 vs 3.565E-3) is my reading of Table 3; the authors do not comment on it. Judgements that mean differences on Helmholtz, Klein-Gordon and wave are 'within the reported spread' are mine from comparing means to the ± values; the authors call them improvements. Valence choice: the three findings where XPINN does worse than PINN are classed negative-not-replicated with valence 'opposes' following the brief's rule for an earlier method doing worse than a simpler one; the edge reads against XPINN's claimed advantage (Jagtap and Karniadakis 2020), and these results are in fact consistent with this paper's own framing. The fairness condition holds in all cases: PINN and XPINN baselines are trained by the authors with stated settings, and every number comes with 10-run variance; note however that in the wave experiment XPINN was trained at learning rate 1e-4 while PINN used 8E-4, and in Boussinesq-Burger APINN4 sub-nets use width 18 versus 20 elsewhere. The MPINN method that APINN-M mimics is cited only as an anonymous under-review ICLR 2022 submission. Experiment-level outcomeClass values and the question-level 'partial' are my summary of the tables, not the authors' labels.

When XPINNs beat, match or lose to PINNs: a generalization tradeoff (SIAM J. Sci. Comput., 2022)

SIAM Journal on Scientific Computing, 2022

Read left to right. The question (QUE) is addressed by 5 experiments (EXP), each producing results (RES), and each result bears on the hypothesis (HYP). 1 support it, 2 oppose it, 8 inform it. Issues (ISS) hang below: what the paper leaves open.

HYP, in the authors’ words (Section 1 (Introduction)): “XPINNs facilitate parallel computing, accelerate convergence, and improve generalization empirically.”

Discourse graph of When XPINNs beat, match or lose to PINNs: a generalization tradeoff (SIAM J. Sci. Comput., 2022) que addresses kdv-equation que addresses heat-equation que addresses advection-equation que addresses poisson-equation que addresses compressible-euler-oblique-shock kdv-equation produces kdv-error-similar kdv-error-similar informs hyp kdv-equation produces kdv-subnet-complexity kdv-subnet-complexity informs hyp heat-equation produces heat-pinn-beats-xpinn heat-pinn-beats-xpinn opposes hyp heat-equation produces heat-subnet-complexity heat-subnet-complexity informs hyp advection-equation produces advection-xpinn-beats-pinn advection-xpinn-beats-pinn informs hyp advection-equation produces advection-subnet-complexity advection-subnet-complexity informs hyp poisson-equation produces poisson-pinn-beats-all-xpinns poisson-pinn-beats-all-xpinns opposes hyp poisson-equation produces poisson-interface-regularization-ablation poisson-interface-regularization-ablation informs hyp poisson-equation produces poisson-subnet-complexity poisson-subnet-complexity informs hyp compressible-euler-oblique-shock produces euler-shock-aligned-xpinn-beats-pinn euler-shock-aligned-xpinn-beats-pinn supports hyp compressible-euler-oblique-shock produces euler-top-bottom-xpinn-fails euler-top-bottom-xpinn-fails informs hyp kdv-equation comparedWith heat-equation: Both show the less-data side of the tradeoff: on KdV it balances the simplicity gain (similar error), on heat it dominates (PINN wins, bound 243.22%). heat-equation extends poisson-equation: Poisson is a second case where PINN wins; it adds an ablation of the interface regularization from [10] and boundary weighting, and reports loss-weight tradeoffs as the cause of XPINN failure. advection-equation extends compressible-euler-oblique-shock: Both XPINN wins come from decomposing along a discontinuity into piecewise-constant subdomains; Euler adds a contrasting arbitrary top/bottom split that does not help. compressible-euler-oblique-shock informs poisson-equation: Euler shows the same method winning or failing depending only on where the interface is placed, which bears on the Poisson result where the discontinuity-aligned split still lost to PINN. ISS · open questions and untried branches this path leaves behind QUE · partial When and why do extended PINNs (domain- decomposed sub-networks) generalize better, similarly or worse than a single PINN on the same PDE? When and why do extended PINNs (domain-decomposed sub-networks) generalize better, similarly or worse than a single PINN on the same PDE? HYP Prior claim examined: XPINNs, which split the domain into sub-PINNs joined by interface losses, generalize better than a single PINN on the same PDE. Prior claim examined: XPINNs, which split the domain into sub-PINNs joined by interface losses, generalize better than a single PINN on the same PDE. EXP · partial 1D KdV equation: 10-layer sine PINN (18000 residual, 914 boundary pts) vs 2-subnet XPINN split at x=-0.74 (14000/4000 residual pts, 10000… 1D KdV equation: 10-layer sine PINN (18000 residual, 914 boundary pts) vs 2-subnet XPINN split at x=-0.74 (14000/4000 residual pts, 10000 interface pts), 5000 epochs, 5 seeds RES · partial On KdV, PINN relative L2 error 6.899e-1 vs XPINN 6.955e-1 are similar (difference within one printed std), an… On KdV, PINN relative L2 error 6.899e-1 vs XPINN 6.955e-1 are similar (difference within one printed std), and the XPINN bound is 121.08% of PINN's. RES · partial KdV subnet complexity (product of weight-matrix norms): XPINN-R 101.31% of PINN, XPINN-L 28.50%; the subnet on the… KdV subnet complexity (product of weight-matrix norms): XPINN-R 101.31% of PINN, XPINN-L 28.50%; the subnet on the complex right domain is as complex as the full PINN. EXP · negative-not-replicated 1D heat equation: 9-layer tanh PINN (2000 residual, 200 boundary pts, LBFGS) vs 2-subnet XPINN split at t=0.5 (top/bottom), 20000 epochs, 5 seeds 1D heat equation: 9-layer tanh PINN (2000 residual, 200 boundary pts, LBFGS) vs 2-subnet XPINN split at t=0.5 (top/bottom), 20000 epochs, 5 seeds RES · negative-not-replicated On the heat equation PINN relative L2 error 1.778e-3 beats XPINN 4.490e-3 (no overlap of printed std over 5 seeds)… On the heat equation PINN relative L2 error 1.778e-3 beats XPINN 4.490e-3 (no overlap of printed std over 5 seeds), and the XPINN bound is 243.22% of PINN's. RES · partial Heat subnet complexity order is XPINN-T 156.24% > PINN 100% > XPINN-B 75.75%; the top subnet fits a harder source wit… Heat subnet complexity order is XPINN-T 156.24% > PINN 100% > XPINN-B 75.75%; the top subnet fits a harder source with half the data and overfits. EXP · partial 1D advection with a step initial condition: 6-layer tanh PINN (2000 residual, 200 boundary pts) vs 3-subnet XPINN-LMR split along the… 1D advection with a step initial condition: 6-layer tanh PINN (2000 residual, 200 boundary pts) vs 3-subnet XPINN-LMR split along the characteristics, 5000 epochs, 5 seeds RES · partial On advection, Table 3 gives XPINN relative L2 error 1.617e-1 vs PINN 2.052e-1 (within one printed std), XPIN… On advection, Table 3 gives XPINN relative L2 error 1.617e-1 vs PINN 2.052e-1 (within one printed std), XPINN bound 66.59% of PINN's; the prose swaps the two error numbers. RES · partial All three advection subnets are less complex than PINN: XPINN-L 40.53%, XPINN-M 53.16%, XPINN-R 79.95%, because… All three advection subnets are less complex than PINN: XPINN-L 40.53%, XPINN-M 53.16%, XPINN-R 79.95%, because each fits a constant target. EXP · negative-not-replicated 2D Poisson with discontinuous source: 9-layer tanh PINN (400 residual, 80 boundary pts, LBFGS) vs three 2-subnet XPINN weightings (XPINN1-3, Table 4)… 2D Poisson with discontinuous source: 9-layer tanh PINN (400 residual, 80 boundary pts, LBFGS) vs three 2-subnet XPINN weightings (XPINN1-3, Table 4), 20000 epochs, 5 seeds RES · negative-not-replicated On Poisson, PINN relative L2 error 5.553e-2 beats XPINN3 1.108e-1, XPINN2 1.387e-1 and XPINN1 4.022e-1; bounds… On Poisson, PINN relative L2 error 5.553e-2 beats XPINN3 1.108e-1, XPINN2 1.387e-1 and XPINN1 4.022e-1; bounds order the same way (100% < 106.28% < 108.57% < 122.56%). RES · partial Adding the first-derivative interface term (weight 30) cuts XPINN error from 4.022e-1 to 1.387e-1 but raises boundar… Adding the first-derivative interface term (weight 30) cuts XPINN error from 4.022e-1 to 1.387e-1 but raises boundary error; raising boundary weight 20 to 80 gives 1.108e-1 but raises interface error. RES · partial Every Poisson subnet is more complex than PINN: XPINN1-A 142.71%, -M 297.91%; XPINN2-A 183.44%, -M 292.93%; XPINN3-A… Every Poisson subnet is more complex than PINN: XPINN1-A 142.71%, -M 297.91%; XPINN2-A 183.44%, -M 292.93%; XPINN3-A 195.57%, -M 300.47%. EXP · partial 2D steady compressible Euler oblique shock (Mach 2): 5-layer tanh PINN (10000 residual pts) vs XPINN-AM split along the shock strip and XPINN-TB split at… 2D steady compressible Euler oblique shock (Mach 2): 5-layer tanh PINN (10000 residual pts) vs XPINN-AM split along the shock strip and XPINN-TB split at y=0.5; L2 error in density RES · positive Shock-aligned XPINN-AM reaches relative L2 density error 1.048e-2 vs PINN 3.4604e-2, with norms 37.28% (A) and… Shock-aligned XPINN-AM reaches relative L2 density error 1.048e-2 vs PINN 3.4604e-2, with norms 37.28% (A) and 64.37% (M) and bound 81.09% of PINN's. RES · partial Top/bottom XPINN-TB gives relative L2 density error 3.5722e-2 vs PINN 3.4604e-2 (within one printed std), wit… Top/bottom XPINN-TB gives relative L2 density error 3.5722e-2 vs PINN 3.4604e-2 (within one printed std), with bottom-subnet norms 131.26% and bound 137.63% of PINN's. ISS · next-step Adaptive domain decomposition: compute the bound during training and restructure subdomains (give data-poor subnets more points) when overfitting… Adaptive domain decomposition: compute the bound during training and restructure subdomains (give data-poor subnets more points) when overfitting dominates; proposed, not tested. ISS · untried XPINN loses on Poisson because boundary and interface losses trade off under fixed weights; the authors call for XPINNs with adaptive weight adjustment… XPINN loses on Poisson because boundary and interface losses trade off under fixed weights; the authors call for XPINNs with adaptive weight adjustment, which is not tried here. ISS · open-question The theory assumes a linear second-order operator with K-Lipschitz bounded coefficients and a differentiable activation (no ReLU); extension beyond… The theory assumes a linear second-order operator with K-Lipschitz bounded coefficients and a differentiable activation (no ReLU); extension beyond this class is not addressed. ISS · untried Long-time integration, where only XPINNs are reported to remain accurate, is offered as a partial explanation of the theory but is not tested in the paper. Long-time integration, where only XPINNs are reported to remain accurate, is offered as a partial explanation of the theory but is not tested in the paper.
  • supports positive finding
  • opposes a worse or failed result against a tuned baseline, with variance, an interval or a convergence study to show it is real
  • informs bears on the question without deciding the hypothesis
  • thin grey a relation between two experiments
Nodes, in reading order. Sources: Hu, Jagtap, Karniadakis & Kawaguchi 2022, 10.1137/21M1447039; text read: version of record, SIAM PDF.
NodeTextTypeOutcomeEdge
EXP1D KdV equation: 10-layer sine PINN (18000 residual, 914 boundary pts) vs 2-subnet XPINN split at x=-0.74 (14000/4000 residual pts, 10000 interface pts), 5000 epochs, 5 seeds
XPINN and PINN reach similar relative L2 error (difference within one printed standard deviation), and the posterior bound of XPINN is slightly larger.
benchmark comparisonpartial
RESOn KdV, PINN relative L2 error 6.899e-1 vs XPINN 6.955e-1 are similar (difference within one printed std), and the XPINN bound is 121.08% of PINN's.
Relative L2 error: PINN 6.899e-1±8.015e-3, XPINN 6.955e-1±9.905e-3; Bound: PINN 100.00%, XPINN 121.08%; 5 runs, seeds 0-4; mean±std as printed
Section 5.1.2, Table 1 · “the error of PINN (6.899e-1) is slightly better than that of XPINN (6.955e-1), justifying the effectiveness of our generalization bound”
partial
informative
informs HYP
RESKdV subnet complexity (product of weight-matrix norms): XPINN-R 101.31% of PINN, XPINN-L 28.50%; the subnet on the complex right domain is as complex as the full PINN.
Complexity relative to PINN=100.00%: XPINN-R 101.31%, XPINN-L 28.50%; training loss PINN 3.597e-3±7.194e-4, XPINN 5.619e-3±5.056e-3; 5 seeds
Section 5.1.2, Table 1 · “the available data in its subdomain 1 is less than those of PINN, so overfitting causes XPINN-R to be as complex as the PINN”
partial
informative
informs HYP
EXP1D heat equation: 9-layer tanh PINN (2000 residual, 200 boundary pts, LBFGS) vs 2-subnet XPINN split at t=0.5 (top/bottom), 20000 epochs, 5 seeds
XPINN is about 2.5x worse than PINN in relative L2 error under the same training budget and seeds; the claimed generalization advantage does not appear.
benchmark comparisonnegative-not-replicated
RESOn the heat equation PINN relative L2 error 1.778e-3 beats XPINN 4.490e-3 (no overlap of printed std over 5 seeds), and the XPINN bound is 243.22% of PINN's.
Relative L2 error: PINN 1.778e-3±2.195e-4, XPINN 4.490e-3±1.517e-3; Bound: PINN 100.00%, XPINN 243.22%; training loss PINN 8.589e-5±2.218e-5, XPINN 2.585e-4±1.726e-4; 5 seeds
Section 5.2.2, Table 2 · “PINN (1.778e-3) outperforms XPINN (4.490e-3) in relative L2 error, and its bound (100.00%) is also smaller than that of XPINN (243.22%)”
negative-not-replicated
informative
opposes HYP
RESHeat subnet complexity order is XPINN-T 156.24% > PINN 100% > XPINN-B 75.75%; the top subnet fits a harder source with half the data and overfits.
Complexity relative to PINN=100.00%: XPINN-T 156.24%, XPINN-B 75.75%; 5 seeds
Section 5.2.2, Table 2 · “XPINN-T is the most complex because the top heat source is more complicated than the bottom one, and XPINN-T only has half of the”
partial
informative
informs HYP
EXP1D advection with a step initial condition: 6-layer tanh PINN (2000 residual, 200 boundary pts) vs 3-subnet XPINN-LMR split along the characteristics, 5000 epochs, 5 seeds
XPINN with piecewise-constant subdomains has a lower mean relative L2 error than PINN and a smaller bound (66.59%), but the two means lie within one printed standard deviation.
benchmark comparisonpartial
RESOn advection, Table 3 gives XPINN relative L2 error 1.617e-1 vs PINN 2.052e-1 (within one printed std), XPINN bound 66.59% of PINN's; the prose swaps the two error numbers.
Relative L2 error (Table 3): PINN 2.052e-1±1.001e-1, XPINN 1.617e-1±3.582e-2; Bound: PINN 100%, XPINN 66.59%; training loss PINN 1.387e-5±1.298e-5, XPINN 4.239e-3±2.385e-5; 5 seeds
Section 5.3.2, Table 3 · “the bound of XPINN (66.59%) is also smaller than that of PINN (100%)”
partial
informative
informs HYP
RESAll three advection subnets are less complex than PINN: XPINN-L 40.53%, XPINN-M 53.16%, XPINN-R 79.95%, because each fits a constant target.
Complexity relative to PINN=100%: XPINN-L 40.53%, XPINN-M 53.16%, XPINN-R 79.95%; 5 seeds
Section 5.3.2, Table 3 · “All subnets in XPINN (40.53%, 53.16%,79.95%) are less complicated than PINN (100%)”
partial
informative
informs HYP
EXP2D Poisson with discontinuous source: 9-layer tanh PINN (400 residual, 80 boundary pts, LBFGS) vs three 2-subnet XPINN weightings (XPINN1-3, Table 4), 20000 epochs, 5 seeds
All three XPINN variants are worse than PINN under the same training budget; the extra first-derivative interface term and boundary reweighting narrow but do not close the gap.
benchmark comparison with loss-weighting ablationnegative-not-replicated
RESOn Poisson, PINN relative L2 error 5.553e-2 beats XPINN3 1.108e-1, XPINN2 1.387e-1 and XPINN1 4.022e-1; bounds order the same way (100% < 106.28% < 108.57% < 122.56%).
Relative L2 error: PINN 5.553e-2±2.936e-2, XPINN1 4.022e-1±1.648e-1, XPINN2 1.387e-1±7.030e-3, XPINN3 1.108e-1±1.561e-2; Bound: PINN 100.00%, XPINN1 122.56%, XPINN2 108.57%, XPINN3 106.28%; 5 seeds
Section 5.4.2, Table 5 · “PINN (5.553e-2) outperforms XPINN3 (1.108e-1), and XPINN3 outperforms XPINN2 (1.387e-1), and finally XPINN2 outperforms XPINN1 (4.022e-1)”
negative-not-replicated
informative
opposes HYP
RESAdding the first-derivative interface term (weight 30) cuts XPINN error from 4.022e-1 to 1.387e-1 but raises boundary error; raising boundary weight 20 to 80 gives 1.108e-1 but raises interface error.
Relative L2 error: XPINN1 4.022e-1±1.648e-1, XPINN2 1.387e-1±7.030e-3, XPINN3 1.108e-1±1.561e-2; weights per Table 4 (additional I: 0/30/30, boundary: 20/20/80); 5 seeds
Sections 5.4.1-5.4.2, Tables 4 and 5, Figure 9 · “While the error on the boundary decreases, the error near the interface increases, which is due to the tradeoff between different loss components”
partial
informative
informs HYP
RESEvery Poisson subnet is more complex than PINN: XPINN1-A 142.71%, -M 297.91%; XPINN2-A 183.44%, -M 292.93%; XPINN3-A 195.57%, -M 300.47%.
Complexity relative to PINN=100.00%: 142.71%, 297.91%, 183.44%, 292.93%, 195.57%, 300.47% (A and M subnets of XPINN1, XPINN2, XPINN3); 5 seeds
Section 5.4.2, Table 5 · “All subnets in the XPINNs (142.71%, 297.91%, 183.44%, 292.93%, 195.57%, 300.47%) are more complicated then the PINN (100%)”
partial
informative
informs HYP
EXP2D steady compressible Euler oblique shock (Mach 2): 5-layer tanh PINN (10000 residual pts) vs XPINN-AM split along the shock strip and XPINN-TB split at y=0.5; L2 error in density
The shock-aligned decomposition (XPINN-AM) is about 3x better than PINN, while the arbitrary top/bottom split (XPINN-TB) is indistinguishable from PINN within one printed standard deviation.
benchmark comparison with two decompositionspartial
RESShock-aligned XPINN-AM reaches relative L2 density error 1.048e-2 vs PINN 3.4604e-2, with norms 37.28% (A) and 64.37% (M) and bound 81.09% of PINN's.
Relative L2 error in rho: PINN 3.4604e-2±7.385e-3, XPINN-AM 1.048e-2±5.3793e-3; Norms: XPINN-A 37.28%, XPINN-M 64.37%; Bound: 81.09%; training loss PINN 1.819e-3±6.043e-4, XPINN-AM 9.210e-4±1.882e-4; number of runs not stated for this experiment
Section 5.5.2, Table 6 · “In this case, the XPINN-AM generalizes better than PINN. Furthermore, the norms of XPINN-AM are much smaller than that of PINN (100%).”
positive
informative
supports HYP
RESTop/bottom XPINN-TB gives relative L2 density error 3.5722e-2 vs PINN 3.4604e-2 (within one printed std), with bottom-subnet norms 131.26% and bound 137.63% of PINN's.
Relative L2 error in rho: PINN 3.4604e-2±7.385e-3, XPINN-TB 3.5722e-2±4.290e-3; Norms: XPINN-T 42.37%, XPINN-B 131.26%; Bound: 137.63%; training loss XPINN-TB 1.067e-3±4.829e-4; number of runs not stated
Section 5.5.2, Table 6 · “The XPINN-TB does not generalize well compared to PINNs, and the complexities of the two subnets are 42.37% and 131.26%”
partial
informative
informs HYP
  • ISS Adaptive domain decomposition: compute the bound during training and restructure subdomains (give data-poor subnets more points) when overfitting dominates; proposed, not tested. (next-step · Section 6 (Conclusion))
  • ISS XPINN loses on Poisson because boundary and interface losses trade off under fixed weights; the authors call for XPINNs with adaptive weight adjustment, which is not tried here. (untried · Section 5.4.2)
  • ISS The theory assumes a linear second-order operator with K-Lipschitz bounded coefficients and a differentiable activation (no ReLU); extension beyond this class is not addressed. (open-question · Section 3, Assumption 3.1; Section 2.3)
  • ISS Long-time integration, where only XPINNs are reported to remain accurate, is offered as a partial explanation of the theory but is not tested in the paper. (untried · Section 6 (Conclusion))

Extraction notes: Version: the text is the published SIAM J. Sci. Comput. Vol. 44 No. 5, pp. A3158-A3182 (published electronically September 27, 2022), CC BY, with a download stamp of 10/18/26. Framing choice (mine, at the coordinator's direction): the hypothesis is the prior claim the five experiments decide, namely that XPINNs generalize better than PINNs (Section 1: 'XPINNs facilitate parallel computing, accelerate convergence, and improve generalization empirically'; the abstract poses it as 'understanding how and when XPINNs outperform PINNs'). The paper's own framing is different: it proposes a tradeoff theory (domain decomposition yields simpler per-subdomain targets but less data per subdomain) with prior and posterior generalization bounds (Theorems 3.1, 3.5, 3.6) and three analytical examples (sections 4.1-4.3: Barron-norm comparisons 27 vs 9/sqrt(2); 15.625 vs about 16.70; threshold q about 0.683), and under that framing every one of the five PDE results, including the losses on heat and Poisson, counts as confirmation because the posterior bound ordering matched the error ordering in every reported case. This graph is drawn against the prior claim instead, so the heat and Poisson results are recorded as negative-not-replicated / opposes, and the theory and complexity-percentage findings as informs. The fairness condition for 'opposes' holds on heat and Poisson: the PINN baseline was trained by the authors under the same procedure (same epochs, learning rate, model structure, weight decay), 5 runs with seeds 0-4, mean±std printed, and the printed std intervals do not overlap. Note also that the bound is a posterior quantity computed from the same trained networks whose test error is compared, so the bound-vs-error agreement is a consistency check, not a prediction made before training. The brief caps experiments at five, so the theoretical results and analytical examples are not listed as experiments. Self-inconsistencies in the paper: (1) Section 5.3.2 prose says 'XPINN (2.052e-1) performs better than PINN (1.617e-1)', but Table 3 assigns 2.052e-1 to PINN and 1.617e-1 to XPINN; I used the table and the bound ordering (XPINN 66.59%). (2) The Conclusion lists KdV, heat, advection and Euler as cases where XPINN outperforms PINN, and heat and 'wave equation' as cases where PINN wins, and advection as the balanced case; this contradicts section 5 (KdV similar, heat PINN wins, advection XPINN wins) and there is no wave equation experiment in the paper. The experiment entries follow section 5. (3) Section 4.1 writes the Omega_2 Barron norm as '||u*||_W2(Omega_1) = 1' and section 4.2 says 'subnets on Omega_1 and Omega_3'; both look like typos. Variance caveats (mine): on advection the two means lie within one printed standard deviation of each other (PINN 2.052e-1±1.001e-1 vs XPINN 1.617e-1±3.582e-2), on Euler XPINN-TB vs PINN (3.5722e-2±4.290e-3 vs 3.4604e-2±7.385e-3) likewise overlap, and on KdV the difference (6.899e-1±8.015e-3 vs 6.955e-1±9.905e-3) is within one std; the authors do not report a significance test, so these three are recorded as partial / informs rather than as wins or losses, even though the authors describe advection as an XPINN win and Euler-TB as a failure. On KdV both models have relative L2 error near 0.69, i.e. neither solves the problem well at 5000 epochs; the authors do not comment on this. On advection XPINN's training loss (4.239e-3) is about two orders larger than PINN's (1.387e-5) yet its test error is lower; the authors do not discuss this. Missing details: the Euler experiment does not state the number of runs or seeds (the other four use seeds 0-4), the number of boundary points, or the epoch count; Table 6 labels the complexity column 'Norms' where Tables 1-3 and 5 say 'Complexity'. Boundary-loss versions of the comparisons and some proofs are in a supplement (supp.pdf) that was not provided. The bounds in the tables are reported only as percentages of the PINN bound; absolute values are not given. Issue iss-3 is the paper's stated assumption (it says the restriction is 'required for our estimation'); the observation that KdV (third order, nonlinear) and Euler (nonlinear first-order system) fall outside that assumption is my reading, not the authors' statement.

AI-Aristotle: X-TFC and PINNs plus symbolic regression for gray-box identification in systems biology (PLoS Computational Biology, 2024)

PLoS Computational Biology, 2024

Read left to right. The question (QUE) is addressed by 5 experiments (EXP), each producing results (RES), and each result bears on the hypothesis (HYP). 5 support it, 0 oppose it, 7 inform it. Issues (ISS) hang below: what the paper leaves open.

HYP, in the authors’ words (Summary and discussion): “The results demonstrated the capability of both X-TFC and PINNs to accurately estimate parameters even with limited data, showcasing their potential for model calibration in real-world scenarios.”

Discourse graph of AI-Aristotle: X-TFC and PINNs plus symbolic regression for gray-box identification in systems biology (PLoS Computational Biology, 2024) que addresses pk-parameter-discovery que addresses pk-gray-box-h que addresses ultradian-parameter-discovery que addresses ultradian-gray-box-f-g que addresses symbolic-distillation pk-parameter-discovery produces pk-params-10-points pk-params-10-points informs hyp pk-gray-box-h produces pk-h-10-points pk-h-10-points informs hyp pk-gray-box-h produces pk-h-100-points pk-h-100-points supports hyp pk-gray-box-h produces pk-h-noise-10pct pk-h-noise-10pct informs hyp ultradian-parameter-discovery produces ultradian-params-360-points ultradian-params-360-points informs hyp ultradian-parameter-discovery produces ultradian-params-1800-points ultradian-params-1800-points supports hyp ultradian-gray-box-f-g produces ultradian-fg-360-points ultradian-fg-360-points informs hyp ultradian-gray-box-f-g produces ultradian-fg-1800-points ultradian-fg-1800-points supports hyp ultradian-gray-box-f-g produces pinn-local-minima-without-output-scaling pinn-local-minima-without-output-scaling informs hyp symbolic-distillation produces sr-pk-clean sr-pk-clean supports hyp symbolic-distillation produces sr-ultradian sr-ultradian supports hyp symbolic-distillation produces sr-pysr-vs-gplearn-cost sr-pysr-vs-gplearn-cost informs hyp pk-parameter-discovery comparedWith pk-gray-box-h: Same pharmacokinetics model and data sizes; parameter discovery versus discovery of a whole missing term, both reported in Section 4.1. pk-parameter-discovery extends ultradian-parameter-discovery: Same two methods applied to the harder 6-state, 30-parameter ultradian model with five unknown parameters. pk-gray-box-h extends ultradian-gray-box-f-g: Gray-box recovery moves from one missing term in a linear 3-ODE model to two missing terms in the nonlinear ultradian model. ultradian-gray-box-f-g confirms pk-gray-box-h: Both show the same dataset-size pattern the authors highlight: PINNs better on the smallest datasets, X-TFC better and faster as data grows. pk-gray-box-h informs symbolic-distillation: The learned h(t) from X-TFC and PINNs (clean and noisy) is the input to PySR and gplearn. ultradian-gray-box-f-g informs symbolic-distillation: The learned f(t) and g(t) from X-TFC and PINNs are the inputs to PySR and gplearn for Table 13. ISS · open questions and untried branches this path leaves behind QUE · positive Can neural-network inversion (X-TFC or PINNs) followed by symbolic regression recover unknown parameters and missing ODE terms in systems-biology models from sparse, noisy data? Can neural-network inversion (X-TFC or PINNs) followed by symbolic regression recover unknown parameters and missing ODE terms in systems-biology models from sparse, noisy data? HYP AI-Aristotle (X-TFC or PINNs, then PySR/gplearn symbolic regression) accurately estimates parameters and discovers missing ODE terms in two systems-biology benchmarks, even with limited data. AI-Aristotle (X-TFC or PINNs, then PySR/gplearn symbolic regression) accurately estimates parameters and discovers missing ODE terms in two systems-biology benchmarks, even with limited data. EXP · positive Pharmacokinetics three-compartment model, time range [0, 50] h: infer k_g = 0.72 and k_b = 0.15 with X-TFC and PINNs from 10, 20, 50 or 100 synthetic data… Pharmacokinetics three-compartment model, time range [0, 50] h: infer k_g = 0.72 and k_b = 0.15 with X-TFC and PINNs from 10, 20, 50 or 100 synthetic data points per variable RES · partial With 10 data points X-TFC gave relative errors of 41.66% (k_g) and 6.96% (k_b) in 0.07 s; PINNs gave 1.25% and 0.11%… With 10 data points X-TFC gave relative errors of 41.66% (k_g) and 6.96% (k_b) in 0.07 s; PINNs gave 1.25% and 0.11% (mean of 10 seeds) in 48.54 s; at 100 points both were below 0.4%. EXP · positive Pharmacokinetics gray-box: recover the missing right-hand side h(t) of dB/dt with X-TFC and PINNs from 10-100 data points, then from 100 points with 1-10%… Pharmacokinetics gray-box: recover the missing right-hand side h(t) of dB/dt with X-TFC and PINNs from 10-100 data points, then from 100 points with 1-10% uniform noise RES · partial At 10 data points PINNs recovered h(t) with relative error 6.92% (MAE 1.26e-04) versus 36.00% (MAE 2.57e-03) for X-TFC. At 10 data points PINNs recovered h(t) with relative error 6.92% (MAE 1.26e-04) versus 36.00% (MAE 2.57e-03) for X-TFC. RES · positive At 100 data points X-TFC recovered h(t) with relative error 9.18e-04% in 0.05 s, while PINNs plateaued at 2.29% after… At 100 data points X-TFC recovered h(t) with relative error 9.18e-04% in 0.05 s, while PINNs plateaued at 2.29% after 143.37 s. RES · positive With 10% uniform noise on 100 points X-TFC recovered h(t) with relative error 2.90% versus 9.02% for PINNs; at 1%… With 10% uniform noise on 100 points X-TFC recovered h(t) with relative error 2.90% versus 9.02% for PINNs; at 1% noise PINNs (2.17%) was marginally better than X-TFC (2.33%). EXP · positive Ultradian endocrine glucose-insulin model (6 states, 30 parameters), [0, 1800] min: infer E, t_p, t_i, R_m, a_1 with X-TFC and PINNs from 360-1800 data… Ultradian endocrine glucose-insulin model (6 states, 30 parameters), [0, 1800] min: infer E, t_p, t_i, R_m, a_1 with X-TFC and PINNs from 360-1800 data points RES · partial At 360 data points X-TFC's relative error on R_m was 9.86% (a_1 1.54%) in 2.9 s; PINNs reached 0.27% on R_m (a_1… At 360 data points X-TFC's relative error on R_m was 9.86% (a_1 1.54%) in 2.9 s; PINNs reached 0.27% on R_m (a_1 0.0096%) but needed 6e05 iterations and 2494.6 s. RES · positive At 1800 data points X-TFC's relative errors fell to 4.30e-04% (E) to 0.0019% (R_m) in 8.0 s, while PINNs stayed at… At 1800 data points X-TFC's relative errors fell to 4.30e-04% (E) to 0.0019% (R_m) in 8.0 s, while PINNs stayed at 0.0090-0.012% after 6e06 iterations and 2946.5 s. EXP · positive Ultradian endocrine gray-box: recover two missing terms f(t) (in dI_p/dt) and g(t) (in dI_i/dt) with X-TFC and PINNs from I_p and G data at 360-1800 points… Ultradian endocrine gray-box: recover two missing terms f(t) (in dI_p/dt) and g(t) (in dI_i/dt) with X-TFC and PINNs from I_p and G data at 360-1800 points over 1800 min RES · partial At 360 data points PINNs recovered g(t) with relative error 5.14% (f: 5.08e-01%) in 3883.68 s versus 16.7% (f: 1.93%) fo… At 360 data points PINNs recovered g(t) with relative error 5.14% (f: 5.08e-01%) in 3883.68 s versus 16.7% (f: 1.93%) for X-TFC in 0.25 s. RES · positive At 1800 data points X-TFC recovered g(t) with relative error 0.22% (f: 4.28e-03%) in 0.60 s, versus 2.35% (f: 3.61e-01%)… At 1800 data points X-TFC recovered g(t) with relative error 0.22% (f: 4.28e-03%) in 0.60 s, versus 2.35% (f: 3.61e-01%) for PINNs in 4917.81 s. RES · negative-not-achievable Without the output scaling layer the PINN for the ultradian model tended to get stuck in local minima; no error… Without the output scaling layer the PINN for the ultradian model tended to get stuck in local minima; no error figure for the failed configuration is reported. EXP · positive Symbolic regression (PySR, gplearn) of X-TFC and PINN gray-box outputs: h_sym(G, B) for pharmacokinetics (clean and 1-10% noise), f_sym and g_sym(I_p… Symbolic regression (PySR, gplearn) of X-TFC and PINN gray-box outputs: h_sym(G, B) for pharmacokinetics (clean and 1-10% noise), f_sym and g_sym(I_p, I_i) for the ultradian model RES · positive PySR distilled h_sym = 0.7199 G - 0.15 B (X-TFC) and 0.7257 G - 0.1559 B (PINNs) against the true 0.72 G - 0.15 B; with… PySR distilled h_sym = 0.7199 G - 0.15 B (X-TFC) and 0.7257 G - 0.1559 B (PINNs) against the true 0.72 G - 0.15 B; with 10% noise the forms were 0.717 G - 0.143 B and 0.697 G - 0.154 B. RES · positive PySR distilled f_sym = -0.2333 I_p + 0.0182 I_i from X-TFC (identical to the true form) and g_sym = 0.0660 I_p -… PySR distilled f_sym = -0.2333 I_p + 0.0182 I_i from X-TFC (identical to the true form) and g_sym = 0.0660 I_p - 0.0280 I_i (X-TFC) or 0.0667 I_p - 0.0282 I_i (PINNs; equal to true). RES · partial For these problems PySR took 10 minutes on CPU while gplearn took up to one hour and needed more hyperparameter tuning. For these problems PySR took 10 minutes on CPU while gplearn took up to one hour and needed more hyperparameter tuning. ISS · untried PINN accuracy plateaus with more data, attributed to optimization error; deeper networks, other optimizers or alternative techniques are proposed but… PINN accuracy plateaus with more data, attributed to optimization error; deeper networks, other optimizers or alternative techniques are proposed but not tested. ISS · next-step X-TFC is sensitive to hyperparameters (points per subdomain, neurons, step length); an ablation study is required to reach the desired accuracy. X-TFC is sensitive to hyperparameters (points per subdomain, neurons, step length); an ablation study is required to reach the desired accuracy. ISS · open-question In X-TFC on the ultradian model, iterations beyond the first subdomain might produce higher errors; more careful hyperparameters and per-… In X-TFC on the ultradian model, iterations beyond the first subdomain might produce higher errors; more careful hyperparameters and per-subdomain initial guesses are needed. ISS · untried Extending the framework to stiff systems via operator splitting (Strang or Godunov) in PINNs is suggested but not demonstrated here. Extending the framework to stiff systems via operator splitting (Strang or Godunov) in PINNs is suggested but not demonstrated here.
  • supports positive finding
  • opposes a worse or failed result against a tuned baseline, with variance, an interval or a convergence study to show it is real
  • informs bears on the question without deciding the hypothesis
  • thin grey a relation between two experiments
Nodes, in reading order. Sources: Daryakenari, De Florio, Shukla & Karniadakis 2024, 10.1371/journal.pcbi.1011916; text read: version of record, PubMed Central (PMC10931529).
NodeTextTypeOutcomeEdge
EXPPharmacokinetics three-compartment model, time range [0, 50] h: infer k_g = 0.72 and k_b = 0.15 with X-TFC and PINNs from 10, 20, 50 or 100 synthetic data points per variable
Both methods recover the two rates; PINNs are far more accurate at 10 points, X-TFC is about 700x faster and catches up by 50-100 points.
benchmark comparison / inverse problempositive
RESWith 10 data points X-TFC gave relative errors of 41.66% (k_g) and 6.96% (k_b) in 0.07 s; PINNs gave 1.25% and 0.11% (mean of 10 seeds) in 48.54 s; at 100 points both were below 0.4%.
relative error (%) k_g / k_b at 10 points: X-TFC 41.66 / 6.96, 5 iter., 0.07 s (Intel Xeon W-2255 CPU); PINNs 1.25 / 0.11, 5e04 iter., 48.54 s (NVIDIA RTX 3090 GPU), averaged over 10 runs with distinct random seeds; X-TFC single run. At 100 points: X-TFC 0.38 / 0.11, 0.07 s; PINNs 0.09 / 0.02, 48.38 s
Section 4.1, Table 2 · “we executed the model 10 times, each with a distinct random seed. We then computed the average relative error (%)”
partial
informative
informs HYP
EXPPharmacokinetics gray-box: recover the missing right-hand side h(t) of dB/dt with X-TFC and PINNs from 10-100 data points, then from 100 points with 1-10% uniform noise
Both methods recover h(t); PINNs win at 10 points, X-TFC wins by orders of magnitude at 50-100 points and degrades less under noise, at roughly 1/3000 of the compute time.
benchmark comparison / inverse problem / noise robustnesspositive
RESAt 10 data points PINNs recovered h(t) with relative error 6.92% (MAE 1.26e-04) versus 36.00% (MAE 2.57e-03) for X-TFC.
RE (%) / MAE / RMSE for h(t), 10 points: X-TFC 36.00 / 2.57e-03 / 7.88e-03, 2 iter., 0.003 s; PINNs 6.92 / 1.26e-04 / 5.57e-04, 3e04 Adam + 1e02 L-BFGS iter., 141.68 s; single runs, no variance reported
Section 4.1, Table 4 · “For smaller sizes of the dataset (e.g., 10 data points), the PINNs method can achieve better performance in accuracy, especially for the gray-box test case”
partial
informative
informs HYP
RESAt 100 data points X-TFC recovered h(t) with relative error 9.18e-04% in 0.05 s, while PINNs plateaued at 2.29% after 143.37 s.
RE (%) for h(t), 100 points: X-TFC 9.18e-04 (MAE 1.41e-08, RMSE 8.69e-08), 0.05 s; PINNs 2.29 (MAE 6.54e-05, RMSE 1.84e-04), 143.37 s; PINNs RE at 10/20/50/100 points: 6.92 / 5.99 / 2.80 / 2.29
Section 4.1, Table 4 · “it reaches a point where further increasing the dataset size does not significantly improve accuracy with the same setup”
positive
informative
supports HYP
RESWith 10% uniform noise on 100 points X-TFC recovered h(t) with relative error 2.90% versus 9.02% for PINNs; at 1% noise PINNs (2.17%) was marginally better than X-TFC (2.33%).
RE (%) for h(t) at noise 1/2/3/4/5/10%: X-TFC 2.33 / 2.34 / 2.36 / 2.40 / 2.46 / 2.90, 2 iter., 0.05 s each; PINNs 2.17 / 2.23 / 2.82 / 5.61 / 7.64 / 9.02, 3e04 + 1e02 iter., about 143.6-144.0 s each; X-TFC run without domain decomposition; single runs
Section 4.1, Table 6 · “keeping low errors, which increase with the increase of noise, as expected”
positive
informative
informs HYP
EXPUltradian endocrine glucose-insulin model (6 states, 30 parameters), [0, 1800] min: infer E, t_p, t_i, R_m, a_1 with X-TFC and PINNs from 360-1800 data points
Both methods recover the five parameters; PINNs are more accurate at 360 points but take about 2500 s versus 3-8 s for X-TFC, whose errors fall to below 1e-03% at 1800 points.
benchmark comparison / inverse problempositive
RESAt 360 data points X-TFC's relative error on R_m was 9.86% (a_1 1.54%) in 2.9 s; PINNs reached 0.27% on R_m (a_1 0.0096%) but needed 6e05 iterations and 2494.6 s.
relative error (%) E / t_p / t_i / R_m / a_1 at 360 points: X-TFC 0.12 / 1.17 / 0.024 / 9.86 / 1.54, 31 iter., 2.9 s; PINNs 0.0037 / 0.24 / 3.97e-01 / 0.27 / 0.0096, 6e05 iter., 2494.6 s; single runs
Section 4.2, Table 7 · “With X-TFC, we can retrieve the parameters already in the first sub-domain. Further iterations of the algorithm might produce higher errors.”
partial
informative
informs HYP
RESAt 1800 data points X-TFC's relative errors fell to 4.30e-04% (E) to 0.0019% (R_m) in 8.0 s, while PINNs stayed at 0.0090-0.012% after 6e06 iterations and 2946.5 s.
relative error (%) E / t_p / t_i / R_m / a_1 at 1800 points: X-TFC 4.30e-04 / 2.94e-05 / 7.09e-04 / 0.0019 / 3.14e-04, 98 iter., 8.0 s; PINNs 0.0090 / 0.012 / 9.92e-04 / 0.011 / 0.0017, 6e06 iter., 2946.5 s
Section 4.2, Table 7 · “as the dataset grows, the X-TFC method surpasses PINNs in accuracy and computational efficiency”
positive
informative
supports HYP
EXPUltradian endocrine gray-box: recover two missing terms f(t) (in dI_p/dt) and g(t) (in dI_i/dt) with X-TFC and PINNs from I_p and G data at 360-1800 points over 1800 min
Both methods recover f and g; PINNs are better at 360-450 points, X-TFC is better and about 8000x faster at 1800 points; PINNs got stuck in local minima without the output scaling layer.
benchmark comparison / inverse problem / ablationpositive
RESAt 360 data points PINNs recovered g(t) with relative error 5.14% (f: 5.08e-01%) in 3883.68 s versus 16.7% (f: 1.93%) for X-TFC in 0.25 s.
RE (%) f(t) / g(t) at 360 points: X-TFC 1.93 / 16.7 (MAE 7.08e-02 / 1.32e-01), 2 iter. per subdomain, 0.25 s; PINNs 5.08e-01 / 5.14 (MAE 1.99e-02 / 5.49e-02), 1e06 iter., 3883.68 s; single runs
Section 4.2, Table 8 · “in Table 8 , the PINNs method demonstrates better efficacy with merely 360 and 450 data points”
partial
informative
informs HYP
RESAt 1800 data points X-TFC recovered g(t) with relative error 0.22% (f: 4.28e-03%) in 0.60 s, versus 2.35% (f: 3.61e-01%) for PINNs in 4917.81 s.
RE (%) f(t) / g(t) at 1800 points: X-TFC 4.28e-03 / 0.22 (MAE 1.71e-04 / 1.72e-03), 2 iter., 0.60 s; PINNs 3.61e-01 / 2.35 (MAE 7.89e-03 / 3.14e-02), 1e06 iter., 4917.81 s; PINNs g(t) RE at 360/450/600/900/1800: 5.14 / 3.36 / 3.58 / 3.03 / 2.35
Section 4.2, Table 8 · “In the case of the X-TFC method, an increase in the number of data points leads to progressively more accurate results.”
positive
informative
supports HYP
RESWithout the output scaling layer the PINN for the ultradian model tended to get stuck in local minima; no error figure for the failed configuration is reported.
qualitative only; no metric, run count or variance given for the configuration without the output scaling layer
Section 3.2.2 (Output Scaling Layer) · “We observed that without the output scaling layer, the model tended to get stuck in local minima.”
negative-not-achievable
uninformative
informs HYP
EXPSymbolic regression (PySR, gplearn) of X-TFC and PINN gray-box outputs: h_sym(G, B) for pharmacokinetics (clean and 1-10% noise), f_sym and g_sym(I_p, I_i) for the ultradian model
Both regressors recover near-identical linear expressions matching the true terms for both models and all noise levels; PySR is faster and needs less tuning than gplearn.
benchmark comparison / symbolic recoverypositive
RESPySR distilled h_sym = 0.7199 G - 0.15 B (X-TFC) and 0.7257 G - 0.1559 B (PINNs) against the true 0.72 G - 0.15 B; with 10% noise the forms were 0.717 G - 0.143 B and 0.697 G - 0.154 B.
Clean data (Table 11). PySR: X-TFC 0.7199 G - 0.15 B; PINNs 0.7257 G - 0.1559 B. gplearn: X-TFC 0.7205 G - 0.1507 B; PINNs 0.7310 G - 0.1480 B. True 0.72 G - 0.15 B. Binary operators +, -, x only; PySR candidate at complexity 5; no fit error or run count reported. Noisy data (Table 12), PINN / X-TFC: 1% 0.721G-0.155B / 0.714G-0.149B; 2% 0.720G-0.154B / 0.714G-0.148B; 3% 0.720G-0.154B / 0.714G-0.148B; 4% 0.716G-0.153B / 0.714G-0.147B; 5% 0.729G-0.149B / 0.715G-0.146B; 10% 0.697G-0.154B / 0.717G-0.143B; L1 loss with regularizer set to the noise level
Section 4.3.1, Tables 11 and 12 · “From Table 11 , it is evident that symbolic models are in very good agreement with the true models.”
positive
informative
supports HYP
RESPySR distilled f_sym = -0.2333 I_p + 0.0182 I_i from X-TFC (identical to the true form) and g_sym = 0.0660 I_p - 0.0280 I_i (X-TFC) or 0.0667 I_p - 0.0282 I_i (PINNs; equal to true).
PySR: X-TFC f -0.2333 I_p + 0.0182 I_i, g 0.0660 I_p - 0.0280 I_i; PINNs f -0.2332 I_p + 0.0181 I_i, g 0.0667 I_p - 0.0282 I_i. gplearn: X-TFC f -0.2331 I_p + 0.0183 I_i, g 0.066 I_p - 0.028 I_i; PINNs f -0.2329 I_p + 0.0178 I_i, g 0.068 I_p - 0.029 I_i. True f -0.2333 I_p + 0.0182 I_i, g 0.0667 I_p - 0.0282 I_i
Section 4.3.2, Table 13 · “Table 13 shows a very good agreement between the symbolic models and actual expression”
positive
informative
supports HYP
RESFor these problems PySR took 10 minutes on CPU while gplearn took up to one hour and needed more hyperparameter tuning.
wall time: PySR 10 minutes on CPU; gplearn up to one hour; hardware and run count not specified
Summary and discussion · “it takes 10 minutes for PySR on CPU, while it takes up to one hour for gplearn”
partial
informative
informs HYP
  • ISS PINN accuracy plateaus with more data, attributed to optimization error; deeper networks, other optimizers or alternative techniques are proposed but not tested. (untried · Section 4.1)
  • ISS X-TFC is sensitive to hyperparameters (points per subdomain, neurons, step length); an ablation study is required to reach the desired accuracy. (next-step · Summary and discussion; Section 4.1)
  • ISS In X-TFC on the ultradian model, iterations beyond the first subdomain might produce higher errors; more careful hyperparameters and per-subdomain initial guesses are needed. (open-question · Section 4.2)
  • ISS Extending the framework to stiff systems via operator splitting (Strang or Godunov) in PINNs is suggested but not demonstrated here. (untried · Summary and discussion)

Extraction notes: Version: the text is the PubMed Central published version (PMC10931529, PLoS Comput Biol 20(3): e1011916, received 4 Oct 2023, accepted 13 Feb 2024, published 12 Mar 2024, CC BY 4.0), with XML tags stripped. Supplementary S1 Text (Tables A-E, ablation studies for X-TFC and PINNs) is referenced but not in the file, so the claim that X-TFC errors can be 'reduced by several orders of magnitude' with ablation is unverified here. Self-inconsistencies in the paper: (1) Section 2.1 states a time range of [0, 10] hours for the pharmacokinetics model, but all results tables and Section 4.1 use [0, 50] hours. (2) Sections 4.1 and 4.2 and Table 7's caption say accuracy is the 'absolute difference' between nominal and inferred values, while the column headers in Tables 2 and 7 say 'relative error (%)'; I used the table header wording. (3) The noise study is introduced as 'four different levels of noise' but lists six (1, 2, 3, 4, 5, 10%), and the text then refers to 'all five values of noise std'. (4) The closing paragraph of Section 4.2 and the Summary say PINNs achieve greater accuracy on noisy data, but Table 6 shows X-TFC with lower relative error at every noise level except 1%; my finding pk-h-noise-10pct records the table, and this is my reading of the conflict. (5) Section 4.1 says both methods give 'great precision even for a meager dataset (10 data points)' while Table 2 shows X-TFC at 41.66% relative error on k_g; I classed that finding as partial. (6) gplearn expression lengths for the pharmacokinetics candidates are given as 7 and 19 in the text but 9 and 19 in the Fig 9 caption and Fig 10; for the ultradian g_sym they are 13 and 18 in the text but 13 and 25 in the Fig 12 caption. (7) Eq 22 writes dI_p/dt = R_m f + f_sym, which does not match Eq 5 (dI_p/dt = f_1(G) + f(t)); I did not resolve this. (8) The organisation paragraph says conclusions are in Section 4.3.2, but they are in 'Summary and discussion'. Fairness of comparisons: only the PINN pharmacokinetics parameter-discovery runs are averaged over 10 seeds; every other number appears to be a single run with no variance, so no finding is marked 'opposes'. PINNs ran on an NVIDIA RTX 3090 GPU and X-TFC on an Intel Xeon W-2255 CPU, so the timing comparison crosses hardware. Synthetic data were generated with Runge-Kutta for PINNs and with RPNNs for X-TFC, so the two methods were not fitted to byte-identical data. X-TFC noisy-data results were obtained without domain decomposition 'to avoid overfitting', unlike the clean-data runs. The 'true expressions' in Table 13 are the paper's own statement; I did not derive them from Table 1. The ratios in my outcomeSummary fields ('about 700x', 'about 1/3000', 'about 8000x') are my rough readings of the tabulated times, not the paper's statements; all finding labels and effects use the paper's numbers verbatim. The que outcomeClass 'positive' and the finding-level classes are my assignments. The PINN local-minima finding (Section 3.2.2) has no numbers; I kept it because the brief asks for stated failures. The claim that PINNs discovered up to 21 parameters from G and I_p data, and 17 from 360 G points, 'not possible for the X-TFC algorithm', is attributed to ref [30] and is not an experiment in this paper, so I did not make it a finding.

Scalable PINNs and physics-informed graph networks (Data-Centric Engineering, 2022)

Data-Centric Engineering, 2022

Read left to right. The question (QUE) is addressed by 5 experiments (EXP), each producing results (RES), and each result bears on the hypothesis (HYP). 3 support it, 0 oppose it, 9 inform it. Issues (ISS) hang below: what the paper leaves open.

HYP, in the authors’ words (Abstract): “We present representative examples for both forward and inverse problems and discuss what advances are needed to scale up PINNs, PIGNs and more broadly GNNs for large-scale engineering problems.”

Discourse graph of Scalable PINNs and physics-informed graph networks (Data-Centric Engineering, 2022) que addresses self-adaptive-pinn-boundary-layer que addresses gpinn-vs-pinn-diffusion que addresses cpinn-xpinn-weak-scaling-navier-stokes que addresses xpinn-inverse-heat-conduction-usa-map que addresses graph-network-examples self-adaptive-pinn-boundary-layer produces vanilla-pinn-misses-boundary-layer vanilla-pinn-misses-boundary-layer informs hyp gpinn-vs-pinn-diffusion produces gpinn-two-orders-better gpinn-two-orders-better informs hyp gpinn-vs-pinn-diffusion produces gpinn-40-points-vs-100 gpinn-40-points-vs-100 informs hyp gpinn-vs-pinn-diffusion produces gpinn-twice-cost gpinn-twice-cost informs hyp cpinn-xpinn-weak-scaling-navier-stokes produces weak-scaling-matches-theory-24-gpus weak-scaling-matches-theory-24-gpus supports hyp cpinn-xpinn-weak-scaling-navier-stokes produces xpinn-lower-throughput-than-cpinn xpinn-lower-throughput-than-cpinn informs hyp xpinn-inverse-heat-conduction-usa-map produces xpinn-recovers-conductivity xpinn-recovers-conductivity supports hyp xpinn-inverse-heat-conduction-usa-map produces xpinn-cpu-speedup-9x-10x xpinn-cpu-speedup-9x-10x supports hyp xpinn-inverse-heat-conduction-usa-map produces xpinn-gpu-speedup-7x-9x-sublinear xpinn-gpu-speedup-7x-9x-sublinear informs hyp graph-network-examples produces pign-magnetostatics-machine-precision pign-magnetostatics-machine-precision informs hyp graph-network-examples produces learned-stencil-no-dissipation-cfl-10 learned-stencil-no-dissipation-cfl-10 informs hyp graph-network-examples produces distdglv2-20x-36x-64-gpus distdglv2-20x-36x-64-gpus informs hyp cpinn-xpinn-weak-scaling-navier-stokes extends xpinn-inverse-heat-conduction-usa-map: Same distributed cPINN/XPINN implementation and similar hardware; the inverse heat problem adds irregular nonconvex subdomains and CPU vs GPU, single vs double precision scaling. self-adaptive-pinn-boundary-layer comparedWith gpinn-vs-pinn-diffusion: Two loss-function modifications of the vanilla PINN: adaptive point weights for stiff regions versus adding gradient-residual terms; both improve accuracy, gPINN at roughly double cost. graph-network-examples comparedWith xpinn-inverse-heat-conduction-usa-map: The paper contrasts PIGNs, which enforce integral balances on graph nodes, with PINNs enforcing differential residuals at random points; GNN parallel frameworks exist, PIGN scaling does not yet. ISS · open questions and untried branches this path leaves behind QUE · partial How can physics-informed neural networks and physics-informed graph networks be scaled up to large engineering problems, and what advances are still needed? How can physics-informed neural networks and physics-informed graph networks be scaled up to large engineering problems, and what advances are still needed? HYP Survey paper with no claim of its own; stated purpose: review PINN and PIGN trends with representative forward and inverse examples and discuss what is needed to scale them up. Survey paper with no claim of its own; stated purpose: review PINN and PIGN trends with representative forward and inverse examples and discuss what is needed to scale them up. EXP · positive Boundary-layer ODE nu*u''-u=e^x on [-1,1], u(-1)=1, u(1)=0, nu=1e-3: vanilla PINN with constant loss weights vs self-adaptive PINN (min-max over… Boundary-layer ODE nu*u''-u=e^x on [-1,1], u(-1)=1, u(1)=0, nu=1e-3: vanilla PINN with constant loss weights vs self-adaptive PINN (min-max over trainable point weights) RES · negative-not-achievable For the nu=1e-3 boundary-layer problem the vanilla PINN fails to capture the boundary layers while the self-adaptive… For the nu=1e-3 boundary-layer problem the vanilla PINN fails to capture the boundary layers while the self-adaptive PINN captures them; no error numbers are given. EXP · partial 1D diffusion equation on [-pi,pi]x[0,1], D=1, analytical solution: PINN vs gradient-enhanced PINN (gPINN) at w=0.01, 0.1, 1 vs number of training… 1D diffusion equation on [-pi,pi]x[0,1], D=1, analytical solution: PINN vs gradient-enhanced PINN (gPINN) at w=0.01, 0.1, 1 vs number of training points (from Yu et al. 2021) RES · positive gPINN with w=0.01, 0.1 and 1 all outperform PINN in L2 relative error of u by up to two orders of magnitude. gPINN with w=0.01, 0.1 and 1 all outperform PINN in L2 relative error of u by up to two orders of magnitude. RES · positive gPINN reaches 1% L2 relative error of u with only 40 training points, whereas PINN needs more than 100 points for the… gPINN reaches 1% L2 relative error of u with only 40 training points, whereas PINN needs more than 100 points for the same accuracy. RES · partial gPINN is almost twice as expensive as PINN because of the extra automatic differentiation for the gradient loss… gPINN is almost twice as expensive as PINN because of the extra automatic differentiation for the gradient loss terms. EXP · positive 2D incompressible Navier-Stokes: weak GPU scaling of distributed cPINN and XPINN (one network per subdomain, interfaces exchanged by MPI) on up to 2… 2D incompressible Navier-Stokes: weak GPU scaling of distributed cPINN and XPINN (one network per subdomain, interfaces exchanged by MPI) on up to 24 GPUs of ORNL Summit RES · positive Weak scaling of cPINN and XPINN up to 24 GPUs on Summit shows very good agreement between observed and theoretical… Weak scaling of cPINN and XPINN up to 24 GPUs on Summit shows very good agreement between observed and theoretical performance; no numeric efficiencies are given in the text. RES · partial XPINN has less throughput than cPINN in the weak-scaling test, attributed to flux computation needing one order less… XPINN has less throughput than cPINN in the weak-scaling test, attributed to flux computation needing one order less automatic differentiation than XPINN's residual computation. EXP · positive Inverse heat conduction with unknown K(x,y) on a USA-map domain in 10 nonconvex subdomains: parallel XPINN, 3x80 nets, lr 6e-3; 1 vs 10 Xeon Gold… Inverse heat conduction with unknown K(x,y) on a USA-map domain in 10 nonconvex subdomains: parallel XPINN, 3x80 nets, lr 6e-3; 1 vs 10 Xeon Gold 6126 CPUs and 1 vs 10 V100 GPUs RES · positive Parallel XPINN accurately infers the unknown thermal conductivity K(x,y) across the 10 irregular, nonconvex… Parallel XPINN accurately infers the unknown thermal conductivity K(x,y) across the 10 irregular, nonconvex subdomains; only pointwise-error contour plots are given, no error norm. RES · positive On 10 Xeon Gold 6126 CPUs vs 1 CPU, parallel XPINN reaches 9X speedup in single precision and 10X in double… On 10 Xeon Gold 6126 CPUs vs 1 CPU, parallel XPINN reaches 9X speedup in single precision and 10X in double precision, but double precision raises wall time by a factor of 2.5. RES · partial On 10 V100 GPUs vs 1 GPU the speedup is only 7X (single) and 9X (double): per- subdomain residual points do not… On 10 V100 GPUs vs 1 GPU the speedup is only 7X (single) and 9X (double): per-subdomain residual points do not saturate the GPUs and subdomain 7, with only 800 residual points, idles. EXP · positive Graph-network examples: learned stencils (Trask et al. 2019), a PIGN graph- exterior-calculus magnetostatics surrogate (Trask et al. 2022), DistDGLv… Graph-network examples: learned stencils (Trask et al. 2019), a PIGN graph-exterior-calculus magnetostatics surrogate (Trask et al. 2022), DistDGLv2 GNN scaling (Zheng et al. 2021) RES · positive A graph-exterior-calculus PIGN trained on a coarse grid matches the high- fidelity magnetostatics solution to… A graph-exterior-calculus PIGN trained on a coarse grid matches the high-fidelity magnetostatics solution to machine precision for permittivity jumps alpha = 1, 2, 4, 8. RES · positive A stencil learned from an analytic advection-diffusion solution at a CFL condition of 10 does not show the… A stencil learned from an analytic advection-diffusion solution at a CFL condition of 10 does not show the numerical dissipation of a traditional finite difference/volume discretization. RES · positive The DistDGLv2 framework (cited, not the authors' work) reports 20x speedup on the GraphSage benchmark and 36x on GAT… The DistDGLv2 framework (cited, not the authors' work) reports 20x speedup on the GraphSage benchmark and 36x on GAT benchmarks using 64 GPUs on Amazon EC2; these are plain GNNs, not PIGNs. ISS · next-step Manual interface choice caused load imbalance (subdomain 7 has 800 residual points); point-cloud or K-way partitioning is proposed to pack… Manual interface choice caused load imbalance (subdomain 7 has 800 residual points); point-cloud or K-way partitioning is proposed to pack subdomains for communication. ISS · open-question Efficiency of generic data-parallel and model-parallel training for scientific machine learning, dominated by high- dimensional sparse data, has not been… Efficiency of generic data-parallel and model-parallel training for scientific machine learning, dominated by high-dimensional sparse data, has not been explored. ISS · untried Multi-GPU PINN implementations need more algorithmic and implementation work, including mixed-precision calculations that could significantly speed up PINNs. Multi-GPU PINN implementations need more algorithmic and implementation work, including mixed-precision calculations that could significantly speed up PINNs. ISS · untried Several parallel frameworks exist for scaling plain GNNs, but scaling physics- informed GNNs (PIGNs) has not been attempted and is named as the new… Several parallel frameworks exist for scaling plain GNNs, but scaling physics-informed GNNs (PIGNs) has not been attempted and is named as the new direction.
  • supports positive finding
  • opposes a worse or failed result against a tuned baseline, with variance, an interval or a convergence study to show it is real
  • informs bears on the question without deciding the hypothesis
  • thin grey a relation between two experiments
Nodes, in reading order. Sources: Shukla, Xu, Trask & Karniadakis 2022, 10.1017/dce.2022.24; text read: version of record, Cambridge Core HTML.
NodeTextTypeOutcomeEdge
EXPBoundary-layer ODE nu*u''-u=e^x on [-1,1], u(-1)=1, u(1)=0, nu=1e-3: vanilla PINN with constant loss weights vs self-adaptive PINN (min-max over trainable point weights)
The self-adaptive PINN captures the boundary layers where the vanilla PINN fails (qualitative, Figure 4).
benchmark comparisonpositive
RESFor the nu=1e-3 boundary-layer problem the vanilla PINN fails to capture the boundary layers while the self-adaptive PINN captures them; no error numbers are given.
qualitative only: solution plots in Figure 4, viscosity nu = 1e-3, domain x in [-1,1]; no error metric, no runs or seeds reported
Section 2.1, Figure 4 · “The self-adaptive PINN can capture the boundary layers whereas the vanilla PINN fails.”
negative-not-achievable
informative
informs HYP
EXP1D diffusion equation on [-pi,pi]x[0,1], D=1, analytical solution: PINN vs gradient-enhanced PINN (gPINN) at w=0.01, 0.1, 1 vs number of training points (from Yu et al. 2021)
gPINN is far more accurate per training point than PINN but costs almost twice as much per step.
benchmark comparisonpartial
RESgPINN with w=0.01, 0.1 and 1 all outperform PINN in L2 relative error of u by up to two orders of magnitude.
L2 relative error of u, PINN vs gPINN (w = 0.01, 0.1, 1), improvement up to two orders of magnitude; Figure 5a; no seeds or variance reported
Section 2.2, Figure 5 · “gPINN results with the values of w = 0.01, 0.1, and 1 all outperform PINN by up to two orders of magnitude”
positive
informative
informs HYP
RESgPINN reaches 1% L2 relative error of u with only 40 training points, whereas PINN needs more than 100 points for the same accuracy.
training points to reach 1% L2 relative error of u: gPINN = 40, PINN > 100; diffusion equation; Figure 5
Section 2.2, Figure 5 · “gPINN reaches 1% L2 relative error of u by using only 40 training points, and PINN requires more than 100 points”
positive
informative
informs HYP
RESgPINN is almost twice as expensive as PINN because of the extra automatic differentiation for the gradient loss terms.
cost ratio gPINN/PINN ~ 2 (authors' statement 'almost twice as expensive'); no wall-clock numbers given
Section 2.2 · “gPINN is almost twice as expensive as PINN due to extra expensive automatic differentiation”
partial
informative
informs HYP
EXP2D incompressible Navier-Stokes: weak GPU scaling of distributed cPINN and XPINN (one network per subdomain, interfaces exchanged by MPI) on up to 24 GPUs of ORNL Summit
Observed weak scaling agrees well with the theoretical performance for both methods; XPINN has lower throughput than cPINN.
convergence studypositive
RESWeak scaling of cPINN and XPINN up to 24 GPUs on Summit shows very good agreement between observed and theoretical performance; no numeric efficiencies are given in the text.
weak scaling, up to 24 GPUs, Summit (Oak Ridge National Laboratory), 2D incompressible Navier-Stokes; values only in Figure 8, not in text; no repeats reported
Section 2.3, Figure 8 · “The weak scaling of cPINN and XPINN shows a very good agreement between observed and theoretical performance.”
positive
informative
supports HYP
RESXPINN has less throughput than cPINN in the weak-scaling test, attributed to flux computation needing one order less automatic differentiation than XPINN's residual computation.
throughput XPINN < cPINN (direction only, no numbers in text); Figure 8
Section 2.3, Figure 8 · “The weak scaling also shows that XPINN has less throughput than the cPINN”
partial
informative
informs HYP
EXPInverse heat conduction with unknown K(x,y) on a USA-map domain in 10 nonconvex subdomains: parallel XPINN, 3x80 nets, lr 6e-3; 1 vs 10 Xeon Gold 6126 CPUs and 1 vs 10 V100 GPUs
XPINN recovers the conductivity on irregular subdomains and scales near-linearly on CPUs, less so on GPUs because the subdomains are too small to saturate them.
inverse problempositive
RESParallel XPINN accurately infers the unknown thermal conductivity K(x,y) across the 10 irregular, nonconvex subdomains; only pointwise-error contour plots are given, no error norm.
qualitative: predicted T and K and absolute point-wise error contours in Figure 10; 10 subdomains, 3 hidden layers x 80 neurons, learning rate 6e-3; no error number in text
Section 2.4, Figure 10, Table 1 · “The XPINN method accurately inferred the thermal conductivity, which shows that XPINN can easily handle highly irregular and nonconvex interfaces.”
positive
informative
supports HYP
RESOn 10 Xeon Gold 6126 CPUs vs 1 CPU, parallel XPINN reaches 9X speedup in single precision and 10X in double precision, but double precision raises wall time by a factor of 2.5.
speedup at 10 CPUs vs 1 CPU baseline (1X): 9X (Float32), 10X (Float64); double-precision wall time factor 2.5 vs single on single and multiple CPUs; Figure 11a; single measurement, no variance
Section 2.4, Figure 11a · “we computed the wall time for 10 CPUs, leading to a (9X) and (10X) for single (32-bit float) and double-precision”
positive
informative
supports HYP
RESOn 10 V100 GPUs vs 1 GPU the speedup is only 7X (single) and 9X (double): per-subdomain residual points do not saturate the GPUs and subdomain 7, with only 800 residual points, idles.
speedup at 10 GPUs (10 nodes, 1 CPU + 1 GPU per rank) vs 1 GPU (1X): 7X (Float32), 9X (Float64); single-GPU double precision wall time 30% more than single precision; Nvidia V100 16 GB; Figure 11b; single measurement
Section 2.4, Figure 11b · “The walltime for 10-GPUs (10 Nodes or 10 ranks) yields a scaling (7X) and (9X) for single- and double-precision arithmetic.”
partial
informative
informs HYP
EXPGraph-network examples: learned stencils (Trask et al. 2019), a PIGN graph-exterior-calculus magnetostatics surrogate (Trask et al. 2022), DistDGLv2 GNN scaling (Zheng et al. 2021)
PIGN surrogates reproduce high-fidelity data to machine precision across material jumps; GNN frameworks already scale to tens of GPUs, but none of these are physics-informed at scale.
benchmark comparisonpositive
RESA graph-exterior-calculus PIGN trained on a coarse grid matches the high-fidelity magnetostatics solution to machine precision for permittivity jumps alpha = 1, 2, 4, 8.
magnetic field across y = 0.5, predicted vs data, machine precision, alpha = 1, 2, 4, 8; heterogeneous magnetostatics inclusion problem; Figure 13 (adapted from Trask et al. 2022); no error number given
Section 3.4, Figure 13 · “the predicted solution (dashed) matches the data (solid) to machine precision for a range of jumps”
positive
informative
informs HYP
RESA stencil learned from an analytic advection-diffusion solution at a CFL condition of 10 does not show the numerical dissipation of a traditional finite difference/volume discretization.
qualitative: CFL = 10, advection-diffusion, learned stencil vs traditional FD/FV; Figure 12c (adapted from Trask et al. 2019); no error number
Section 3.2, Figure 12 · “a stencil learned from an analytic solution to the advection–diffusion problem does not exhibit the numerical dissipation of a traditional finite difference/volume discretization”
positive
informative
informs HYP
RESThe DistDGLv2 framework (cited, not the authors' work) reports 20x speedup on the GraphSage benchmark and 36x on GAT benchmarks using 64 GPUs on Amazon EC2; these are plain GNNs, not PIGNs.
speedup 20x (GraphSage), 36x (GAT), 64 GPUs, Amazon EC2 cluster; reported from Zheng et al. 2021; baseline not stated in this text
Section 3.5 · “The authors have shown a 20 × speedup for the GraphSage benchmark”
positive
informative
informs HYP
  • ISS Manual interface choice caused load imbalance (subdomain 7 has 800 residual points); point-cloud or K-way partitioning is proposed to pack subdomains for communication. (next-step · Section 2.4)
  • ISS Efficiency of generic data-parallel and model-parallel training for scientific machine learning, dominated by high-dimensional sparse data, has not been explored. (open-question · Section 2.3)
  • ISS Multi-GPU PINN implementations need more algorithmic and implementation work, including mixed-precision calculations that could significantly speed up PINNs. (untried · Section 4, Summary and Outlook)
  • ISS Several parallel frameworks exist for scaling plain GNNs, but scaling physics-informed GNNs (PIGNs) has not been attempted and is named as the new direction. (untried · Section 4, Summary and Outlook)

Extraction notes: Version: published Cambridge Core HTML of Data-Centric Engineering vol. 3 (2022) e24, published online 29 June 2022, labelled 'Survey paper', CC BY 4.0; text begins with site navigation and ends with references. Because it is a survey, the hypothesis is the stated purpose from the abstract; the closest claim-like statements are 'domain decomposition approaches paired with physics-based synchronization help more than the vanilla data-parallel approaches' (Section 2.3) and 'a hybrid multi-GPU/multi-CPU paradigm based on domain decomposition seems to emerge as the most efficient solution' (Section 4). Valences of 'supports' were assigned against that scaling claim, which is my reading; 'informs' was used for the loss-function and graph-network examples that do not bear on scaling. None of the experiments appears to be a new run for this paper: Figure 5 is from Yu et al. 2021, Figures 6, 10 and 11 are adapted from Shukla et al. 2021b, Figure 12 from Trask et al. 2019, Figure 13 from Trask et al. 2022; the DistDGLv2 and Pfaff et al. (10-100x speedups) numbers are third-party results. No experiment reports seeds, repeats, variance or confidence intervals, so no finding was given valence 'opposes'; the vanilla-PINN boundary-layer failure is classed negative-not-achievable on the baseline per the brief. Table 1 (network architecture and data points per subdomain) is present only as a caption in the text; its contents are missing, so the per-subdomain point counts behind the '800 residual points' remark cannot be checked. Figure 8 weak-scaling values are not in the text. Numeric speedups (9X/10X CPUs, 7X/9X GPUs, factor 2.5, 30%) and the gPINN 40 vs >100 points were each found in only one place in the text. Apparent typos in the paper: Equation (6) has 'L_b(w,lambda_b) -' where '=' is expected, Equation (8) writes w_{k-1} for the updated weights, Equation (22) labels the curl as 'grad', and Section 2.1 writes 'lambda_n' for the initial-condition weights; none affects the extracted findings.

Licence and what this page is

All seven papers are CC BY 4.0 on the version of record, so the graphs are published here with attribution; each links to the paper it was read from and quotes it only in short. The graphs are a view of what each paper claims and found, drawn by one extraction pass against a written brief and checked by hand on the headline numbers. They are not the authors’ own summary, and the extraction notes under each graph record what was inferred and what could not be resolved. Corrections from the authors are welcome.

Method: OpenAlex author A5009658255, title and abstract search for physics-informed or PINN, gold or hybrid open access, licence cc-by on the primary location, verified per paper via Crossref (content-version vor) or the publisher page read in a browser; full texts from PubMed Central XML, Cambridge Core HTML, the SIAM PDF, or arXiv; one extraction pass per paper following a written brief, each finding with a locator and a quote; the JSON for each graph is kept with the brief.