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arXiv:2610.36078v2stat.ML

Learning on-the-fly quasi-stationarity diagnostics from low-dimensional surrogates

Accelerated dynamics methods, such as parallel replica dynamics, require estimates of the decorrelation time, after which a process trapped in one of its metastable states is distributed according to the quasi-stationary distribution (QSD). In a method proposed by Binder, Leli\`evre and Simpson, decorrelation times are defined by coupling a particle approximation of the non-linear conditioned probability flow of the process with MCMC-inspired diagnostics. We explore an alternative to MCMC diagnostics, based on coarse-graining of non-linear probability flows and simulation-based inference. We first develop a coarse-graining framework for killed Markov jump processes conditioned on survival, proving uniform-in-time, non-asymptotic estimates approximating the non-linear probability flow of the true process by the non-linear flow of a surrogate process, defined with a collective variable. The framework does not assume reversibility of the true process, and also gives bounds which scale explicitly in an adiabatic regime. Motivated by these results, we then construct a quasi-stationarity diagnostic using simulation-based inference: a recurrent neural network (RNN), trained on particle approximations of non-linear effective flows, estimates posterior probabilities of decorrelation. The learned diagnostic is then transferred to collective-variable traces of high-dimensional particle approximations. We investigate the behavior and robustness of this diagnostic on a set of numerical experiments, comparing it to the MCMC diagnostic of Binder et al.\ on both synthetic examples and a molecular system, in and out of its training prior distribution. When its prior assumptions hold, the RNN diagnostic outperforms the MCMC diagnostic in ROC analysis, is less conservative, fails less often, and has an interpretable decision threshold.

arXiv:2610.34682v2cs.LG

Beyond Multiplicity Correction: Sharp Retrieval Thresholds for Attention with Correlated Distractors

Redundant context affects attention in two distinct ways: multiplicity adds normalization mass, while score variation within correlated groups can produce extreme individual scores. We separate these effects in a planted retrieval model with exponentially many Gaussian distractors organized into supplied clusters whose number and size both grow exponentially with dimension. The model is a two-level generalized random energy model, whose classical free energy yields exact retrieval thresholds. Gaussian interpolation further shows that increasing positive correlation at fixed token count lowers the distractor free energy, unlike adding duplicates. Our main result establishes a sharp limitation of count correction, which subtracts the log cluster size from pre-softmax scores: this correction removes multiplicity but retains within-cluster extremes. Even when the inverse temperature is chosen after observing all scores, count correction requires a signal at least $\sqrt{2\alpha_1}$, where $\alpha_1$ is the exponential growth rate of the number of clusters. By contrast, averaging scores before exponentiation suppresses token-level fluctuations and lowers the optimal signal threshold to $\sqrt{2\rho\alpha_1}$, where $\rho$ is the within-cluster correlation. This gap persists after adding exponentially many singleton distractors, so group size alone does not identify the target, and extends, under explicit cumulant regularity assumptions, to fixed finite hierarchies of independent-increment scores. Finite-sample, stability, and participation results complement the asymptotic analysis. A controlled retrieval experiment with frozen sentence embeddings illustrates both sides of the distinction: averaging helps when the relevant item is a singleton, but can discard useful evidence when a relevant group contains multiple matching items.

arXiv:2609.27836v3math.ST

Poincar\'e's Inequality on Sliding-Window Occupation Count Kernels and the Optimal Normalized Spectral-Gap Constant

Let $P$ be an irreducible reversible Markov kernel on an $m$-state space $\Omega$, and denote its right spectral gap by $\Gap(P) =1-\lambda_2(P)$. For a stationary trajectory, let $K_t$ be the occupation-count vector of the length-$n$ window beginning at time $t$. The stationary pair $(K_0,K_1)$ defines a reversible projected count kernel $\widetilde P_n$. For each fixed $m\ge2$, define \[ c_m^\star= \inf_{\substack{|\Omega|=m,\ P\ \mathrm{irreducible\ and\ reversible} n\ge2}} \frac{n\Gap(\widetilde P_n)}{\Gap(P)}. \] We prove \[ \frac1{1080m}\le c_m^\star\le q_{m-2}, \qquad q_0=\frac14,\quad q_{r+1}=q_r(1-q_r). \] We also show $q_{m-2}=(m+\log m+O(1))^{-1}$, which implies that $c_m^\star=\Theta(m^{-1})$. Thus, the reciprocal optimal comparison coefficient $C_m^{\mathrm{opt}}=(c_m^\star)^{-1}$ is of the order $m$. In the two-state case, we determine the exact values $c_2^\star=1/4$ and $C_2^{\mathrm{opt}}=4$. %the exact constants for $m\ge3$ remain open. The lower bound also holds for $n=1$ and is uniform in $P$, including sparse and periodic kernels. The proof combines short-window decorrelation with an averaged anchor-excursion decomposition, a Green-kernel hitting estimate, and a stopped Carleson--Hardy inequality. A nested rare-state construction produces finite $m$-state witnesses whose normalized Rayleigh quotients approach $q_{m-2}$ through an ordered sequence of limits. For every fixed finite irreducible reversible aperiodic kernel on at least two states, $\Gap(\widetilde P_n)=\Theta_P(n^{-1})$.

arXiv:2510.09177v2stat.ML

Distributionally robust approximation property of neural networks

The universal approximation property uniformly with respect to weakly compact families of measures is established for several classes of neural networks. To that end, we prove that these neural networks are dense in Orlicz spaces, thereby extending classical universal approximation theorems even beyond the traditional $L^p$-setting. The covered classes of neural networks include widely used architectures like feedforward neural networks with non-polynomial activation functions, deep narrow networks with ReLU activation functions and functional input neural networks.

arXiv:2411.19193v4cs.LG

The Price of Failure Risk: Clipped Barrier Policy Gradients with Convex Regularization

In many control problems, actions consume a resource budget, such as a wear allowance, and the probability of exhausting it within a given horizon must stay below a tolerance. A simple, widely used approach is to augment the state with the remaining budget, subtract an interior barrier from the utility and penalize exhaustion, so that policy-gradient methods can be applied unchanged. We clip the combined one-step reward from below at a level m to keep the returns of exploratory policies finite. The clip level is a price of failure risk, since the clipped value decomposes exactly into the utility before failure, the cost of the interior margin and m times a geometric failure risk. Consequently, an approximately optimal policy maximizes utility net of margin cost among policies with no greater risk. Its risk exceeds that of any comparison policy by at most order 1/m and can be certified from its value or from validation data. Our main result proves exponential convergence of the population policy-gradient flow for every parameter regularizer that is convex along generalized geodesics and sufficiently strong relative to the price. This extends the mean-field analysis from relative entropy to weight decay and to finite networks. Relative entropy adds parameter noise and a pull toward a prior, whereas weight decay provides only the pull. Action regularization bounds changes in failure risk by the relative entropy to a reference policy. The bounds are evaluated on an exact maintenance benchmark, a fuel-tank controller, a solvable flow and a benchmark-suite task.

arXiv:2610.38753v1stat.CO

Metropolized backward sampling for conditional sequential Monte Carlo

Particle Gibbs samplers with backward sampling are widely used for sampling the smoothing distribution of state-space models, but, with few particles, the new trajectory often coincides with the current one at many time steps. A known but rarely used remedy replaces the random selection of the final particle by a Metropolis--Hastings move which avoids the current particle. We show that, with backward sampling, this remedy only helps at the last time steps, because its effect on the update rates decays geometrically with the distance to the final time. We propose instead Metropolized backward sampling, which makes such a move at every step of the backward pass, forcibly switching trajectories whenever possible. Additionally, we introduce a coupled version which prevents proposing the current trajectory, maximizing the chances of an actual switch versus the current trajectory and performing perfect sampling when the state-space model has no observations, a feature not shared by backward sampling. We prove that, at every time step, both methods dominate backward sampling as they update the state more often and have smaller lag-one autocorrelations than it does. Our methods are drop-in replacements for backward sampling, and can be used to improve any particle Gibbs sampler.