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Generative OOD-regularized Model-based Policy Optimization

arXiv:2605.24405v1 Announce Type: cross Abstract: We study sequential decision-making with offline reinforcement learning (RL). Traditional offline RL policies may result in out-of-distribution (OOD) actions when training relies only on sparse offline representations. To ensure safe offline policies in a sparse state-action space, we explore how density estimation models can be integrated into model-based RL methods to avoid the OOD regions. Generative models are capable of explicitly modeling the density in sparse state-action spaces. Building on this, we introduce Generative OOD-regularized Model-based Policy Optimization (GORMPO), a density-regularized offline RL algorithm that uses generative density modeling to restrict policy updates to high-density areas of the dataset. Furthermore, we examine whether better OOD detection corresponds to better model-based offline policies. We compare (1) the OOD detection capabilities of various density estimators and (2) their performance within the GORMPO framework on a real-world medical dataset and sparse offline RL datasets. We theoretically guarantee GORMPO's performance under mild assumptions. Empirically, GORMPO outperforms state-of-the-art baselines by 17% on a real-world medical dataset and enhances the base model on the offline RL datasets. Our empirical findings show that better OOD detection generally results in improved policies in environments with stable dynamics, while conservative penalties with poor density estimation are favored when dynamics are uncertain.
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Time Series, Vision, and Language: Exploring the Limits of Alignment in Contrastive Representation Spaces

arXiv:2602.19367v1 Announce Type: new Abstract: The Platonic Representation Hypothesis posits that learned representations from models trained on different modalities converge to a shared latent structure of the world. However, this hypothesis has largely been examined in vision and language, and it remains unclear whether time series participate in such convergence. We first examine this in a trimodal setting and find that independently pretrained time series, vision, and language encoders exhibit near-orthogonal geometry in the absence of explicit coupling. We then apply post-hoc alignment by training projection heads over frozen encoders using contrastive learning, and analyze the resulting representations with respect to geometry, scaling behavior, and dependence on information density and input modality characteristics. Our investigation reveals that overall alignment in contrastive representation spaces improves with model size, but this alignment is asymmetric: time series align more strongly with visual representations than with text, and images can act as effective intermediaries between time series and language. We further see that richer textual descriptions improve alignment only up to a threshold; training on denser captions does not lead to further improvement. Analogous effects are observed for visual representations. Our findings shed light on considerations for building multimodal systems involving non-conventional data modalities beyond vision and language.
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Rethinking Diffusion Models with Symmetries through Canonicalization with Applications to Molecular Graph Generation

arXiv:2602.15022v1 Announce Type: cross Abstract: Many generative tasks in chemistry and science involve distributions invariant to group symmetries (e.g., permutation and rotation). A common strategy enforces invariance and equivariance through architectural constraints such as equivariant denoisers and invariant priors. In this paper, we challenge this tradition through the alternative canonicalization perspective: first map each sample to an orbit representative with a canonical pose or order, train an unconstrained (non-equivariant) diffusion or flow model on the canonical slice, and finally recover the invariant distribution by sampling a random symmetry transform at generation time. Building on a formal quotient-space perspective, our work provides a comprehensive theory of canonical diffusion by proving: (i) the correctness, universality and superior expressivity of canonical generative models over invariant targets; (ii) canonicalization accelerates training by removing diffusion score complexity induced by group mixtures and reducing conditional variance in flow matching. We then show that aligned priors and optimal transport act complementarily with canonicalization and further improves training efficiency. We instantiate the framework for molecular graph generation under $S_n \times SE(3)$ symmetries. By leveraging geometric spectra-based canonicalization and mild positional encodings, canonical diffusion significantly outperforms equivariant baselines in 3D molecule generation tasks, with similar or even less computation. Moreover, with a novel architecture Canon, CanonFlow achieves state-of-the-art performance on the challenging GEOM-DRUG dataset, and the advantage remains large in few-step generation.
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