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Are Object-Centric Representations Better At Compositional Generalization?

arXiv:2602.16689v1 Announce Type: cross Abstract: Compositional generalization, the ability to reason about novel combinations of familiar concepts, is fundamental to human cognition and a critical challenge for machine learning. Object-centric (OC) representations, which encode a scene as a set of…

Verifier-Constrained Flow Expansion for Discovery Beyond the Data

arXiv:2602.15984v1 Announce Type: new Abstract: Flow and diffusion models are typically pre-trained on limited available data (e.g., molecular samples), covering only a fraction of the valid design space (e.g., the full molecular space). As a consequence, they tend to generate…

On the Expressive Power of Mixture-of-Experts for Structured Complex Tasks

arXiv:2505.24205v2 Announce Type: replace Abstract: Mixture-of-experts networks (MoEs) have demonstrated remarkable efficiency in modern deep learning. Despite their empirical success, the theoretical foundations underlying their ability to model complex tasks remain poorly understood. In this work, we conduct a systematic…

Geometry-Aware Uncertainty Quantification via Conformal Prediction on Manifolds

arXiv:2602.16015v1 Announce Type: new Abstract: Conformal prediction provides distribution-free coverage guaranties for regression; yet existing methods assume Euclidean output spaces and produce prediction regions that are poorly calibrated when responses lie on Riemannian manifolds. We propose emph{adaptive geodesic conformal prediction},…

MolCrystalFlow: Molecular Crystal Structure Prediction via Flow Matching

arXiv:2602.16020v1 Announce Type: new Abstract: Molecular crystal structure prediction represents a grand challenge in computational chemistry due to large sizes of constituent molecules and complex intra- and intermolecular interactions. While generative modeling has revolutionized structure discovery for molecules, inorganic solids,…

Ctrl-GenAug: Controllable Generative Augmentation for Medical Sequence Classification

arXiv:2409.17091v3 Announce Type: replace-cross Abstract: In the medical field, the limited availability of large-scale datasets and labor-intensive annotation processes hinder the performance of deep models. Diffusion-based generative augmentation approaches present a promising solution to this issue, having been proven effective…