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Fixed-Distance Hamiltonian Monte Carlo

Neural Information Processing Systems

Markov chain Monte Carlo (MCMC) is an inference mechanism that approximates a target probability distribution by a sequence of states (a.k.a.



Some aspects of robustness in modern Markov Chain Monte Carlo

Power, Sam, Vasdekis, Giorgos

arXiv.org Machine Learning

Markov Chain Monte Carlo (MCMC) is a flexible approach to approximate sampling from intractable probability distributions, with a rich theoretical foundation and comprising a wealth of exemplar algorithms. While the qualitative correctness of MCMC algorithms is often easy to ensure, their practical efficiency is contingent on the `target' distribution being reasonably well-behaved. In this work, we concern ourself with the scenario in which this good behaviour is called into question, reviewing an emerging line of work on `robust' MCMC algorithms which can perform acceptably even in the face of certain pathologies. We focus on two particular pathologies which, while simple, can already have dramatic effects on standard `local' algorithms. The first is roughness, whereby the target distribution varies so rapidly that the numerical stability of the algorithm is tenuous. The second is flatness, whereby the landscape of the target distribution is instead so barren and uninformative that one becomes lost in uninteresting parts of the state space. In each case, we formulate the pathology in concrete terms, review a range of proposed algorithmic remedies to the pathology, and outline promising directions for future research.


Polynomial Mixing Times of Simulated Tempering for Mixture Targets by Conductance Decomposition

Zhou, Quan

arXiv.org Machine Learning

We study the theoretical complexity of simulated tempering for sampling from mixtures of log-concave components differing only by location shifts. The main result establishes the first polynomial-time guarantee for simulated tempering combined with the Metropolis-adjusted Langevin algorithm (MALA) with respect to the problem dimension $d$, maximum mode displacement $D$, and logarithmic accuracy $\log ε^{-1}$. The proof builds on a general state decomposition theorem for $s$-conductance, applied to an auxiliary Markov chain constructed on an augmented space. We also obtain an improved complexity estimate for simulated tempering combined with random-walk Metropolis. Our bounds assume an inverse-temperature ladder with smallest value $β_1 = O(D^{-2})$ and spacing $β_{i+1}/β_i = 1 + O( d^{-1/2} )$, both of which are shown to be asymptotically optimal up to logarithmic factors.


Not-a-Bandit: Provably No-Regret Drafter Selection in Speculative Decoding for LLMs

Liu, Hongyi, Huang, Jiaji, Jia, Zhen, Park, Youngsuk, Wang, Yu-Xiang

arXiv.org Artificial Intelligence

Speculative decoding is widely used in accelerating large language model (LLM) inference. In this work, we focus on the online draft model selection problem in speculative decoding. We design an algorithm that provably competes with the best draft model in hindsight for each query in terms of either the token acceptance probability or expected acceptance length. In particular, we show that we can accurately evaluate all draft models, instead of only the chosen model without incurring additional queries to the target model, which allows us to improve exponentially over the existing bandit-based approach as the number of draft models increases. Our approach is generically applicable with any speculative decoding methods (single draft, multi-drafts and draft-trees). Moreover, we design system-efficient versions of online learners and demonstrate that the overhead in computation and latency can be substantially reduced. We conduct extensive experiments on open-source LLMs and diverse datasets, demonstrating that our methods substantially outperform the state-of-the-art EAGLE3 and the BanditSpec baseline in a variety of domains where specialized domain-expert drafters are available, especially when long reasoning chains are required.