On the Collapse of Generative Paths: A Criterion and Correction for Diffusion Steering
Ziseok Lee, Minyeong Hwang, Sanghyun Jo, Wooyeol Lee, Jihyung Ko, Young Bin Park, Jae-Mun Choi, Eunho Yang, Kyungsu Kim

TL;DR
This paper identifies a failure mode in diffusion model steering called Marginal Path Collapse and provides a criterion and correction method, ACE, to ensure stable, valid probability paths for improved generative control.
Contribution
The authors introduce a path existence criterion and the ACE correction method to prevent collapse in diffusion steering, enabling reliable, high-quality task-specific generative modeling.
Findings
ACE eliminates path collapse in experiments.
ACE improves distributional and docking metrics.
The criterion accurately predicts collapse conditions.
Abstract
Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting probability-density trajectories from multiple models with positive, or in some cases, negative exponents. This construction, however, harbors a critical and previously unformalized failure mode: Marginal Path Collapse, where intermediate densities become non-normalizable even though endpoints remain valid. Collapse arises systematically when composing heterogeneous models trained on different noise schedules or datasets, including a common setting in molecular design where de-novo, conformer, and pocket-conditioned models must be combined for tasks such as flexible-pose scaffold decoration. We provide a novel and complete solution for the problem. First, we derive…
Peer Reviews
Decision·ICLR 2026 Conference Desk Rejected Submission
Calling attention to the potential existence of degeneracies of marginal distributions when combining multiple generative models.
The authors introduce the ratio-of-density paradigm, namely sampling from $p(x)^{\gamma_1}/q(x)^{\gamma_2}$, and propose remedies within this framework. However, they spend little time in explaining what generative tasks and processes fit into this framework in general, both in the main text and well as the appendix. Only from the examples in Section 2.5 or 3 can the reader infer some of the concrete use cases, which are, however, difficult to parse for readers without intuition and background i
- The paper is very well structured and written. All sections and contributions are both well-motivated and well presented. - The problem identified and tackled seems practically relevant, especially from a conceptual standpoint. - The presented diagnostic tool as well as algorithmic solution seem principled, practical, and useful.
- (main concern) The relevance of the entire work relies on the existence of a theoretically-identified phenomenon. Nonetheless, concrete evidence of it seems somewhat weak. At least to my understanding, this is not well investigated in the current experimental sec., while in principle this should be possible by e.g. measuring how frequently it occurs in practice with near-optimal parameters. Currently, (1) the synthetic experiments seems to be specifically designed s.t. it occurs (as mentioned
- The contribution is twofold and novel within diffusion steering: the paper clearly identifies MPC as a failure mode and introduces PEC and ACE as elegant, principled solutions. - The method can be applied in general ratio-of-densities steering settings. - The synthetic benchmarks convincingly demonstrate the MPC phenomenon and correction. - The molecular design experiments (Tables 2–3) show ACE enabling valid and chemically meaningful samples where FKC fails, with improved docking scores.
- The notation and derivations are somewhat heavy; for instance, Theorem 2.3 could be presented with more clarity. A pseudo-code summary of ACE would greatly improve readability. - The paper does not clearly explain how to choose the bump coefficient B. - A few minor typos remain: "frequently violate the ..." (around line 239), "Assume that the sum Assume ..." (around line 263), beginning of 3.1.
The theoretically inspired perspective of this work is valuable. By highlighting "Marginal Path Collapse", a phenomenon previously overlooked in the literature, the paper provides a complementary viewpoint for inference-time control in diffusion models.
1. Substantial improvements to writing clarity are needed: Background context for foundational concepts is insufficiently explained before introducing abstract formulations. For example: - The origin of the "ratio-of-densities" problem (e.g., the core principles of classifier-free guidance and contrastive decoding, and how these methods lead to the ratio-of-densities form) remains unclear in the main text. The definition of "experts" in the context of these methods is not specified. - Th
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Taxonomy
TopicsMachine Learning in Materials Science · Generative Adversarial Networks and Image Synthesis · Block Copolymer Self-Assembly
