Youkang Wang

Youkang Wang, Jian Wang, Rubing Chen et al.

Inference-time scaling has emerged as a powerful technique for enhancing the reasoning performance of Large Language Models (LLMs). However, existing approaches often rely on heuristic strategies for parallel sampling, lacking a principled foundation. To address this gap, we propose a probabilistic framework that formalizes the optimality of inference-time scaling under the assumption that parallel samples are independently and identically distributed (i.i.d.), and where the Best-of-N selection strategy follows a probability distribution that can be estimated. Within this framework, we derive a theoretical lower bound on the required number of samples to achieve a target performance level, providing the first principled guidance for compute-efficient scaling. Leveraging this insight, we develop \textsc{OptScale}, a practical algorithm that dynamically determines the optimal number of sampled responses. \textsc{OptScale} employs a language model-based predictor to estimate probabilistic prior parameters, enabling the decision of the minimal number of samples needed that satisfy predefined performance thresholds and confidence levels. Extensive experiments on representative reasoning benchmarks (including MATH-500, GSM8K, AIME, and AMC) demonstrate that \textsc{OptScale} significantly reduces sampling overhead while remaining better or on par with state-of-the-art reasoning performance. Our work offers both a theoretical foundation and a practical solution for principled inference-time scaling, addressing a critical gap in the efficient deployment of LLMs for complex reasoning. The source code is publicly available at https://github.com/Albertwyk/OptScale.

Youkang Wang, Jian Wang, Rubing Chen et al.

Test-time policy optimization enables large language models (LLMs) to adapt to distribution shifts by leveraging feedback from self-generated rollouts. However, existing methods rely on fixed-budget majority voting to estimate rewards, incurring substantial computational redundancy. We propose Optimal Rollout Allocation for Test-time Policy Optimization (OptPO), a principled framework that adaptively allocates inference budgets. By formulating the voting process as a Bayesian sequential probability ratio test, OptPO dynamically halts sampling once the posterior confidence in a consensus answer exceeds a specified threshold. Crucially, it utilizes the retained rollouts for on-policy updates, seamlessly integrating with algorithms like PPO or GRPO without requiring ground-truth labels. Across diverse reasoning benchmarks, OptPO significantly reduces rollout overhead compared to fixed-sample baselines while preserving or improving accuracy. By unifying statistically optimal stopping with test-time learning, OptPO offers a computationally efficient paradigm for test-time adaptation. The source code will be open upon acceptance at https://open-upon-acceptance.

Youkang Wang, Jian Wang, Rubing Chen et al.

Sequential scaling is a prominent inference-time scaling paradigm, yet its performance improvements are typically modest and not well understood, largely due to the prevalence of heuristic, non-principled approaches that obscure clear optimality bounds. To address this, we propose a principled framework that models sequential scaling as a two-state Markov process. This approach reveals the underlying properties of sequential scaling and yields closed-form solutions for essential aspects, such as the specific conditions under which accuracy is improved and the theoretical upper, neutral, and lower performance bounds. Leveraging this formulation, we develop MarkovScale, a practical system that applies these optimality criteria to achieve a theoretically grounded balance between accuracy and efficiency. Comprehensive experiments across 3 backbone LLMs, 5 benchmarks, and over 20 configurations show that MarkovScale consistently outperforms state-of-the-art parallel and sequential scaling methods, representing a significant step toward optimal and resource-efficient inference in LLMs. The source code will be open upon acceptance at https://open-upon-acceptance.