Robust Importance Sampling for Rare Events via Constrained Gaussian Mixtures

As agents are deployed with increased autonomy, even extremely rare events along their stochastic output trajectories can occur and prove catastrophic. Safe deployment therefore does not depend on whether these events can occur, but on how often they might. We study the problem of estimating the probability of rare events that arise from stochastic variation in the agent's own actions. Estimating this type of risk requires searching over the combinatorially vast space of trajectories. Naive Monte Carlo is computationally prohibitive in this regime, and constructing effective importance sampling (IS) proposals requires coordinated changes to a context-dependent chain of conditional distributions. We develop a new IS method that perturbs the original model's weights to construct the proposal. The proposal is itself a differentiably parameterized language model, enabling gradient-based search over weight space. We formulate an objective that combines a differentiable surrogate for event amplification and an adaptive regularization scheme that dynamically balances amplification against estimator stability. We evaluate our approach on $\sim$120M and $\sim$2.6B models across three event families spanning 300+ rare events as rare as $10^{-9}$, with reference probabilities computed with $<10\%$ relative standard error. In our most verifiable settings, we observe that our IS estimator achieves over $800\times$ compute-weighted efficiency gains over naive Monte Carlo for events with probabilities lower than $10^{-7}$. Our implementation is available at https://github.com/namkoong-lab/iterative-unalignment.

Diffusion models are increasingly used as surrogates for expensive simulators in weather prediction, molecular dynamics, and materials design. In these models, computing the probability $p_0[E]$ of an event $E$ is difficult, especially when the event of interest is rare. A stable estimate using Monte Carlo becomes computationally intractable, requiring a growing sample size $\propto\!1/p_0[E]$ to compensate for an increasing rarity. In this paper, we present Diffusion Importance Sampling of Rare Events or DireSMC, a sequential Monte Carlo scheme that guides a population of weighted samples towards the rare event, giving access not only to samples but also to a calibrated estimate of its probability. We set up our guidance using an analytical relaxation of the event set, allowing the method to easily extend to a wide range of user-defined rare events. We validate our method on a toy problem with analytical solutions and on a score-based climate emulator, where we obtain accurate rare-event probabilities on a range of rarities from $10^{-3}$ to $10^{-5}$, achieving net speed-ups of $9\times$ to $1413\times$ over Monte Carlo.

Rejection sampling is a technique for sampling from difficult distributions. However, its use is limited due to a high rejection rate. Common adaptive rejection sampling methods either work only for very specific distributions or without performance guarantees. In this paper, we present pliable rejection sampling (PRS), a new approach to rejection sampling, where we learn the sampling proposal using a kernel estimator. Since our method builds on rejection sampling, the samples obtained are with high probability i.i.d. and distributed according to f. Moreover, PRS comes with a guarantee on the number of accepted samples.