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.

Expensive physics KMC · MD · fracture thousands of channels First events which channel won, and how often fast ability transform Kinetic surrogate latent propensities μ cheap · transferable one global solve all leave-one-out systems every scalar in O(1) the cavity 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:

$G^{(i)}_{jk} = G_{jk} - \dfrac{G_{ji}\,G_{ik}}{G_{ii}}, \qquad j,k \neq i$

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:

The applications page ranks the domains to try next.

Further reading

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

Choice models and races

The statistical-mechanics side

Numerical linear algebra of deletion

Related work by the same author

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.