The safe and effective deployment of Large Language Models (LLMs) involves a critical step called alignment, which ensures that the model's responses are in accordance with human preferences. Prevalent alignment techniques, such as DPO, PPO and their variants, align LLMs by changing the pre-trained model weights during a phase called post-training. While predominant, these post-training methods add substantial complexity before LLMs can be deployed. Inference-time alignment methods avoid the complex post-training step and instead bias the generation towards responses that are aligned with human preferences. The best-known inference-time alignment method, called Best-of-N, is as effective as the state-of-the-art post-training procedures. Unfortunately, Best-of-N requires vastly more resources at inference time than standard decoding strategies, which makes it computationally not viable. In this work, we introduce Speculative Rejection, a computationally-viable inference-time alignment algorithm. It generates high-scoring responses according to a given reward model, like Best-of-N does, while being between 16 to 32 times more computationally efficient.

We present parallel algorithms to accelerate sampling via counting in two settings: any-order autoregressive models and denoising diffusion models. An any-order autoregressive model accesses a target distribution $μ$ on $[q]^n$ through an oracle that provides conditional marginals, while a denoising diffusion model accesses a target distribution $μ$ on $\mathbb{R}^n$ through an oracle that provides conditional means under Gaussian noise. Standard sequential sampling algorithms require $\widetilde{O}(n)$ time to produce a sample from $μ$ in either setting. We show that, by issuing oracle calls in parallel, the expected sampling time can be reduced to $\widetilde{O}(n^{1/2})$. This improves the previous $\widetilde{O}(n^{2/3})$ bound for any-order autoregressive models and yields the first parallel speedup for diffusion models in the high-accuracy regime, under the relatively mild assumption that the support of $μ$ is bounded. We introduce a novel technique to obtain our results: speculative rejection sampling. This technique leverages an auxiliary ``speculative'' distribution~$ν$ that approximates~$μ$ to accelerate sampling. Our technique is inspired by the well-studied ``speculative decoding'' techniques popular in large language models, but differs in key ways. Firstly, we use ``autospeculation,'' namely we build the speculation $ν$ out of the same oracle that defines~$μ$. In contrast, speculative decoding typically requires a separate, faster, but potentially less accurate ``draft'' model $ν$. Secondly, the key differentiating factor in our technique is that we make and accept speculations at a ``sequence'' level rather than at the level of single (or a few) steps. This last fact is key to unlocking our parallel runtime of $\widetilde{O}(n^{1/2})$.

The safe and effective deployment of Large Language Models (LLMs) involves a critical step called alignment, which ensures that the model's responses are in accordance with human preferences. Prevalent alignment techniques, such as DPO, PPO and their variants, align LLMs by changing the pre-trained model weights during a phase called post-training. While predominant, these post-training methods add substantial complexity before LLMs can be deployed. Inference-time alignment methods avoid the complex post-training step and instead bias the generation towards responses that are aligned with human preferences. The best-known inference-time alignment method, called Best-of-N, is as effective as the state-of-the-art post-training procedures.