Trust-Region Noise Search for Black-Box Alignment of Diffusion and Flow Models
Authors: Niklas Schweiger, Daniel Cremers, Karnik Ram
Organizations: Technical University of Munich, Germany · Munich Center for Machine Learning, Germany
Abstract
Optimizing the noise samples of diffusion and flow models is an increasingly popular approach to align these models to target rewards at inference time. However, we observe that these approaches are usually restricted to differentiable or cheap reward models, the formulation of the underlying pretrained generative model, or are memory/compute inefficient. We instead propose a simple trust-region based search algorithm (TRS) which treats the pre-trained generative and reward models as a black-box and only optimizes the source noise. Our approach achieves a good balance between global exploration and local exploitation, and is versatile and easily adaptable to various generative settings and reward models with minimal hyperparameter tuning. We evaluate TRS across text-to-image, molecule and protein design tasks, and obtain significantly improved output samples over the base generative models and other inference-time alignment approaches which optimize the source noise sample, or even the entire reverse-time sampling noise trajectories in the case of diffusion models. Our source code is publicly available.
Existing reward alignment methods for diffusion and flow models rely on multi-step stochastic trajectories, making them difficult to extend to deterministic generators. A natural alternative is noise-space optimization, but existing approaches require backpropagation through the generator and reward pipeline, limiting applicability to differentiable settings. To address this, here we present ZeNO (Zeroth-order Noise Optimization), a gradient-free framework that formulates noise optimization as a path-integral control problem, estimable from zeroth-order reward evaluations alone. When instantiated with an Ornstein--Uhlenbeck reference process, the update connects to Langevin dynamics implicitly targeting a reward-tilted distribution. ZeNO enables effective inference-time scaling and demonstrates strong performance across diverse generators and reward functions, including a protein structure generation task where backpropagation is infeasible.
We introduce the Noise-Tilted Reverse Kernel (NTRK), a reward-guided diffusion sampler that injects reward gradients through the noise term, leaving the pretrained reverse kernel unchanged and requiring only a single sample per step. Reward-guided sampling at inference time has greatly expanded the versatility of pretrained diffusion models. Yet existing methods face a trade-off. Gradient-based guidance shifts the reverse mean, steering generation but pushing intermediate states outside the region that the model was trained on and degrading quality. Search-based methods preserve quality but gain no gradient signal. No prior method achieves both. NTRK resolves this by keeping the reverse mean fixed and biasing the noise term toward high reward. This is enabled by a whitening operator, the central mechanism behind NTRK, which converts reward gradients into noise-compatible perturbations without losing their guiding signal. Across various reward alignment tasks, NTRK outperforms recent state-of-the-art baselines without losing sample quality. Remarkably, on aesthetic generation, NTRK surpasses the reward of the best baseline at 500 NFEs using only 25 NFEs, a 20 times reduction in compute.
Diffusion and flow-matching models are typically trained by corrupting data through independently sampled Gaussian noise. While simple and scalable, this forward process induces arbitrary data-noise couplings, forcing the network to learn high-curvature transports between unrelated endpoints. Existing optimal-transport methods reduce this burden by reassigning fixed noise samples to data, but the source noise distribution itself remains passive. To address this, we introduce Contrastive Noise Alignment (CNA), a training-time method that creates dynamic, contrastive couplings by optimizing the noise representations directly. By modeling the noise batch as an interacting particle system, CNA employs a cross-modal InfoNCE objective to align noise particles with their paired data targets. To prevent spatial collapse, this alignment is regularized using an angular entropy term and a radial norm penalty. We show theoretically that this equilibrium asymptotically preserves Gaussian structures, maintaining tractability during inference. Empirically, CNA improves the alignment between noise and data, reduces flow curvature, and provides better generation quality with fewer required sampling steps. For few-step, pixel-space generation (2-4 NFEs), CNA reduces FID by over 50% compared to standard rectified flow, and by at least 24% against Optimal Transport baselines.