Junyi An, Xinyu Lu, Yunfei Shi, Peijia Lin, Licheng Xu, Qianwei Tang, Chao Qu, Fenglei Cao 等 9 位作者
原文摘要
Equivariant Graph Neural Networks (GNNs) have significantly advanced the modeling of 3D molecular structure by leveraging group representations. However, message passing built only from exactly equivariant operations can have restricted practical expressiveness at a fixed representation degree. We introduce the Equivariant Spherical Transformer (EST), a plug-and-play module that applies Transformer attention to spherical spatial representations obtained from group representations. EST explicitly mixes information across sampled orientations, unlike prior orientation-wise spherical operations, while retaining a strong approximate equivariant inductive bias through near-uniform spherical sampling. As demonstrated by our experiments on challenging benchmarks like OC20, MPtrj and QM9, EST-based models achieve state-of-the-art performance. For the complex molecular systems within OC20, small models empowered by EST can outperform some larger models and those using additional data. We characterize the ideal closed-domain condition under which the continuous operation is exactly equivariant and empirically quantify the finite-sampling accuracy--equivariance--memory trade-off used in practice.
We present PhysInsert, a framework for physically plausible reference-based object insertion that jointly adapts objects and their surrounding scenes. Existing methods often rely on masked inputs, generation-based pairs, or training pairs with limited viewpoint variation, leaving pose and illumination adaptation and bidirectional object-scene interactions insufficiently constrained. We construct the Insert World dataset with strictly aligned Blender-rendered counterfactual pairs and object references across viewpoints and lighting conditions. Building on these data, Geometry-Guided Adaptation couples a VGGT geometry stream with image and text streams under target-scene feature supervision to guide spatially consistent insertion. Complementary 2D Object-Scene Spatial Supervision jointly supervises object occupancy and environmental changes while grounding spatial instructions in object regions through image-text attention. We introduce PhysInsert-Bench with dedicated cross-environment and cross-view cases requiring illumination and pose adaptation beyond appearance copying. Experiments on PhysInsert-Bench and DreamBooth demonstrate improved image fidelity; a user study further shows more accurate placement and improved lighting integration, perspective, and pose plausibility.