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Record W2082694541 · doi:10.1002/qua.20702

Symbolic methods for invariant manifolds in chemical kinetics

2005· article· en· W2082694541 on OpenAlex

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affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.

Bibliographic record

VenueInternational Journal of Quantum Chemistry · 2005
Typearticle
Languageen
FieldComputer Science
TopicNonlinear Dynamics and Pattern Formation
Canadian institutionsUniversity of Toronto
Fundersnot available
KeywordsOdeAttractorPhase spaceInvariant (physics)Ordinary differential equationMathematicsContinuationMathematical analysisStatistical physicsPhysicsDifferential equationMathematical physicsThermodynamicsComputer science

Abstract

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Abstract Chemical reactions show a separation of time scales in transient decay due to the stiffness of the ordinary differential equations (ODEs) that describe their evolution. This evolution can be represented as motion in the phase space spanned by the concentration variables of the chemical reaction. Transient decay corresponds to a collapse of the “compressible fluid” representing the continuum of possible dynamical states of the system. Collapse occurs sequentially through a hierarchy of nested, attracting, slow invariant manifolds (SIMs), i.e., sets that map into themselves under the action of the phase flow, eventually reaching the asymptotic attractor of the system. Using a symbolic manipulative language, explicit formulas for the SIMs can be found by iterating functional equations obtained from the system's ODEs. Iteration converges geometrically fast to a SIM at large concentrations and, if necessary, can be stabilized at small concentrations. Three different chemical models are examined in order to show how finding the SIM for a model depends on its underlying dynamics. For every model the iterative method provides a global SIM formula; however, formal series expansions for the SIM diverge in some models. Repelling SIMs can be also found by iterative methods because of the invariance of trajectory geometry under time reversal. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006

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Full frame distilled prediction

Teacher imitation

Not calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.

metaresearch head score (Codex)0.000
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Methods · Consensus signal: none
Teacher disagreement score0.699
Threshold uncertainty score0.325

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0010.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

Machine scores (provisional)

The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.

Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.

Opus teacher head0.020
GPT teacher head0.341
Teacher spread0.321 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it