In this paper, we aim to develop a deeper understanding of training-free guidance, as well as overcome its limitations.

Adding additional guidance to pretrained diffusion models has become an increasingly popular research area, with extensive applications in computer vision, reinforcement learning, and AI for science. Recently, several studies have proposed training-free loss-based guidance by using off-the-shelf networks pretrained on clean images. This approach enables zero-shot conditional generation for universal control formats, which appears to offer a free lunch in diffusion guidance. In this paper, we aim to develop a deeper understanding of training-free guidance, as well as overcome its limitations. We offer a theoretical analysis that supports training-free guidance from the perspective of optimization, distinguishing it from classifier-based (or classifier-free) guidance. To elucidate their drawbacks, we theoretically demonstrate that training-free guidance is more susceptible to misaligned gradients and exhibits slower convergence rates compared to classifier guidance. We then introduce a collection of techniques designed to overcome the limitations, accompanied by theoretical rationale and empirical evidence. Our experiments in image and motion generation confirm the efficacy of these techniques.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training.

In robotics, diffusion models can capture multi-modal trajectories from demonstrations, making them a transformative approach in imitation learning. However, achieving optimal performance following this regiment requires a large-scale dataset, which is costly to obtain, especially for challenging tasks, such as collision avoidance. In those tasks, generalization at test time demands coverage of many obstacles types and their spatial configurations, which are impractical to acquire purely via data. To remedy this problem, we propose Context-Aware diffusion policy via Proximal mode Expansion (CAPE), a framework that expands trajectory distribution modes with context-aware prior and guidance at inference via a novel prior-seeded iterative guided refinement procedure. The framework generates an initial trajectory plan and executes a short prefix trajectory, and then the remaining trajectory segment is perturbed to an intermediate noise level, forming a trajectory prior. Such a prior is context-aware and preserves task intent. Repeating the process with context-aware guided denoising iteratively expands mode support to allow finding smoother, less collision-prone trajectories. For collision avoidance, CAPE expands trajectory distribution modes with collision-aware context, enabling the sampling of collision-free trajectories in previously unseen environments while maintaining goal consistency. We evaluate CAPE on diverse manipulation tasks in cluttered unseen simulated and real-world settings and show up to 26% and 80% higher success rates respectively compared to SOTA methods, demonstrating better generalization to unseen environments.

Adding additional guidance to pretrained diffusion models has become an increasingly popular research area, with extensive applications in computer vision, reinforcement learning, and AI for science. Recently, several studies have proposed training-free loss-based guidance by using off-the-shelf networks pretrained on clean images. This approach enables zero-shot conditional generation for universal control formats, which appears to offer a free lunch in diffusion guidance. In this paper, we aim to develop a deeper understanding of training-free guidance, as well as overcome its limitations. We offer a theoretical analysis that supports training-free guidance from the perspective of optimization, distinguishing it from classifier-based (or classifier-free) guidance.

Classical search algorithms have long underpinned modern artificial intelligence. In this work, we tackle the challenge of inference-time control in diffusion models -- adapting generated outputs to meet diverse test-time objectives -- using principles from classical search. We propose a general framework that orchestrates local and global search to efficiently navigate the generative space. It employs a theoretically grounded local search via annealed Langevin MCMC and performs compute-efficient global exploration using breadth-first and depth-first tree search. We evaluate our approach on a range of challenging domains, including planning, offline reinforcement learning, and image generation. Across all tasks, we observe significant gains in both performance and efficiency. These results show that classical search provides a principled and practical foundation for inference-time scaling in diffusion models. Project page at diffusion-inference-scaling.github.io.

Training-free guidance enables controlled generation in diffusion and flow models, but most existing methods assume differentiable objectives and rely on gradients. This work focuses on training-free guidance addressing challenges from non-differentiable objectives and discrete data distributions. We propose an algorithmic framework TreeG: Tree Search-Based Path Steering Guidance, applicable to both continuous and discrete settings in diffusion and flow models. TreeG offers a unified perspective on training-free guidance: proposing candidates for the next step, evaluating candidates, and selecting the best to move forward, enhanced by a tree search mechanism over active paths or parallelizing exploration. We comprehensively investigate the design space of TreeG over the candidate proposal module and the evaluation function, instantiating TreeG into three novel algorithms. Our experiments show that TreeG consistently outperforms the top guidance baselines in symbolic music generation, small molecule generation, and enhancer DNA design, all of which involve non-differentiable challenges. Additionally, we identify an inference-time scaling law showing TreeG's scalability in inference-time computation.