Kinetic Surrogates
Fast ability transforms for systems in which thousands of latent stochastic processes compete to produce the first, fastest, weakest, or otherwise extremal event.
A chemical system chooses one reaction pathway out of thousands. A stressed material fails at one bond out of millions. A glass relaxes through whichever local rearrangement happens first. In each case an expensive physical process is, abstractly, a race: many latent processes compete, and we observe the winner — sometimes only the winner. This project asks whether the machinery built for inferring the relative abilities of racehorses from betting odds — the fast ability transform — can turn expensive kinetic simulations into cheap, transferable surrogate models.
The connecting mathematics is a pair of leave-one-out identities. Both say the same thing: one global computation is a compressed representation of the entire family of single-deletion systems. Compute the field once, and every “what if competitor $i$ were absent?” question is answered by a cheap downdate rather than a fresh solve. In racing this is the trick that makes the ability transform $O(N)$; in statistical mechanics it is the cavity method's central identity, read as an algorithm.
The loop this project explores: expensive simulation → first-event observations → latent kinetic propensities → cheap surrogate. The engine underneath is a leave-one-out identity that answers all $N$ deletion questions from one global pass.
The two identities
Multiplicative (races). If the survival function of the whole field is the product $S_{\text{field}} = \prod_j S_j$, then the field faced by competitor $i$ is recovered by division: $S_{-i} = S_{\text{field}} / S_i$. One pass over the field prices every competitor — this is what makes the ability transform of Cotton (2021) $O(N)$ instead of $O(N^2)$.
Rank-one (quadratic systems). If $G = A^{-1}$ is the inverse (Green function, susceptibility, resolvent) of a coupled system, the inverse with site $i$ deleted is a Schur-complement downdate:
One $O(n^3)$ factorization contains all $n$ cavity systems; the subtracted rank-one term is exactly the interaction between the remaining degrees of freedom that was mediated through $i$. Statistical mechanics knows this identity intimately — it is the cavity Green function — but typically uses it site by site, not as a way to harvest the whole deletion ensemble from a single solve. The introduction develops both identities and their correspondence; the research program lists the questions they open.
Status
This is an exploratory research repository with four experiments run so far (experiments directory), all against real simulated physics:
- Narrow escape (Brownian first passage): diffusive kinetics violates IIA geometrically — blocked flux is inherited by neighboring windows — and no model could recover this from winner frequencies alone: substitution structure is unidentified in winner-only data (the runner-up principle, Q3 of the program).
- Correlated race: a geometry-informed correlation corr$(i,j)=e^{-d_{ij}/\ell}$, with $\ell$ calibrated on a held-out intervention, cuts the counterfactual error ~9× (TV 0.009 vs 0.081) — the first positive result for Q6 of the program.
- Disordered elastic network: the entire single-defect ensemble (784 sites, ~870× speedup) and 4,000 pair-defect interactions from one inverse in under 50 ms.
- Kramers temperature transfer: Arrhenius rescaling halves the transfer error at kT $1.0 \to 0.7$ and $\to 0.55$; the noise law is second-order. A follow-up showed the residual is not correlational: the correlated race helps deletion counterfactuals, not global parameter shifts — two orthogonal failure axes for kinetic surrogates.
- The fast correlated transform: fit $\Sigma \approx VV^\top + D$; conditionally on the factors the multiplicative cavity applies at every quadrature node — the two identities compose. Exact given the factor model, deletion ensemble intact, and the correlated-race counterfactual reproduced with no Monte Carlo anywhere (TV 0.017 vs 0.082 for IIA).
The applications page ranks the domains to try next.
Further reading
- Introduction — the race model, the two leave-one-out identities, and the dictionary between racing and kinetics.
- Cotton, P. (2021). “Inferring Relative Ability from Winning Probability in Multientrant Contests.” SIAM Journal on Financial Mathematics 12(1), 295–317 — the fast ability transform.
-
The
thurstonepackage — the maintained implementation (docs and interactive demos). - Mézard, M., Parisi, G., and Virasoro, M. A. (1987). Spin Glass Theory and Beyond — the cavity method, whose central identity is the rank-one downdate above.
Cite
Cotton, P. (2021). “Inferring Relative Ability from Winning Probability in Multientrant Contests.” SIAM Journal on Financial Mathematics 12(1), 295–317.
@article{cotton2021inferring,
author = {Cotton, Peter},
title = {Inferring Relative Ability from Winning Probability
in Multientrant Contests},
journal = {SIAM Journal on Financial Mathematics},
volume = {12},
number = {1},
pages = {295--317},
year = {2021}
}
Bibliography
Works underpinning, or adjacent to, the use of fast ability transforms in kinetic surrogate modelling. The list will grow as the program develops; see the papers page for this project's own write-ups.
The core
- Cotton, P. (2021). “Inferring Relative Ability from Winning Probability in Multientrant Contests.” SIAM Journal on Financial Mathematics 12(1). The lattice-based fast ability transform: winner-of-many built once, every entrant priced against its leave-one-out field in $O(N)$ total.
-
The
thurstonepackage. Maintained implementation of the forward (abilities → win probabilities) and inverse (probabilities → abilities) transforms, with dead-heat handling and dynamic tracking.
Choice models and races
- Thurstone, L. L. (1927). “A Law of Comparative Judgment.” Psychological Review 34(4), 273–286. Performance = ability + noise; the best performance wins.
- Luce, R. D. (1959). Individual Choice Behavior. Wiley. The IIA choice axiom — equivalent to exponential races, and exactly the assumption kinetic Monte Carlo makes.
- Harville, D. A. (1973). “Assigning Probabilities to the Outcomes of Multi-Entry Competitions.” JASA 68(342), 312–316. The listwise exponential-race formula; fast but inherits IIA.
The statistical-mechanics side
- Mézard, M., Parisi, G., and Virasoro, M. A. (1987). Spin Glass Theory and Beyond. World Scientific. The cavity method: leave one site out, relate $G^{(i)}$ to $G$.
- Mézard, M., and Montanari, A. (2009). Information, Physics, and Computation. OUP. Cavity/message-passing as algorithms.
- Erdős, L., and Yau, H.-T. (2017). A Dynamical Approach to Random Matrix Theory. AMS. Schur-complement (self-consistent resolvent) identities underpinning local laws — the rigorous face of the same downdate.
- Voter, A. F. (2007). “Introduction to the Kinetic Monte Carlo Method.” In Radiation Effects in Solids, Springer. The exponential-race engine of computational kinetics: channel $i$ fires first with probability $k_i / \sum_j k_j$.
Numerical linear algebra of deletion
- Sherman, J., and Morrison, W. J. (1950). “Adjustment of an Inverse Matrix Corresponding to a Change in One Element of a Given Matrix.” Annals of Mathematical Statistics 21(1). The rank-one update; deletion is its downdate twin.
- Hager, W. W. (1989). “Updating the Inverse of a Matrix.” SIAM Review 31(2), 221–239. Survey of update/downdate identities, including the block (leave-$k$-out) form.
- The hat-matrix leave-one-out identity of regression, $\hat y^{(-i)}_i = y_i - e_i/(1-h_{ii})$ — the scalar special case that statistics has exploited for fifty years, and the template for what “every scalar in $O(1)$” means here.
Related work by the same author
- Cotton, P. (2024). Schur Complementary Allocation: A Unification of Hierarchical Risk Parity and Minimum Variance Portfolios. arXiv:2411.05807. The same Schur-complement object, put to work in portfolio construction — see schur.microprediction.org.
Working on a related paper, or know of a field where remove-one-and-recompute is done the slow way? Open an issue on the kinetics repo and we'll add it.