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cs.CV updates on arXiv.org

ClawGUI: A Unified Framework for Training, Evaluating, and Deploying GUI Agents On the Robustness of Watermarking for Autoregressive Image Generation Revisiting Compositionality in Dual-Encoder Vision-Language Models: The Role of Inference Anthropogenic Regional Adaptation in Multimodal Vision-Language Model From Redaction to Restoration: Deep Learning for Medical Image Anonymization and Reconstruction The Salami Slicing Threat: Exploiting Cumulative Risks in LLM Systems BoxTuning: Directly Injecting the Object Box for Multimodal Model Fine-Tuning Semantic-Geometric Dual Compression: Training-Free Visual Token Reduction for Ultra-High-Resolution Remote Sensing Understanding Lightweight Low-Light Image Enhancement via Distribution-Normalizing Preprocessing and Depthwise U-Net Back to the Barn with LLAMAs: Evolving Pretrained LLM Backbones in Finetuning Vision Language Models Pseudo-Unification: Entropy Probing Reveals Divergent Information Patterns in Unified Multimodal Models QShield: Securing Neural Networks Against Adversarial Attacks using Quantum Circuits Evaluating the Impact of Medical Image Reconstruction on Downstream AI Fairness and Performance Retinal Cyst Detection from Optical Coherence Tomography Images LoViF 2026 The First Challenge on Weather Removal in Videos STORM: End-to-End Referring Multi-Object Tracking in Videos Data-Efficient Surgical Phase Segmentation in Small-Incision Cataract Surgery: A Controlled Study of Vision Foundation Models Rethinking the Diffusion Model from a Langevin Perspective Zero-shot World Models Are Developmentally Efficient Learners Edu-MMBias: A Three-Tier Multimodal Benchmark for Auditing Social Bias in Vision-Language Models under Educational Contexts VGA-Bench: A Unified Benchmark and Multi-Model Framework for Video Aesthetics and Generation Quality Evaluation Degradation-Consistent Paired Training for Robust AI-Generated Image Detection FREE-Switch: Frequency-based Dynamic LoRA Switch for Style Transfer Demographic and Linguistic Bias Evaluation in Omnimodal Language Models FlowPalm: Optical Flow Driven Non-Rigid Deformation for Geometrically Diverse Palmprint Generation Cross-Cultural Value Awareness in Large Vision-Language Models I Walk the Line: Examining the Role of Gestalt Continuity in Object Binding for Vision Transformers GLEaN: A Text-to-image Bias Detection Approach for Public Comprehension From UAV Imagery to Agronomic Reasoning: A Multimodal LLM Benchmark for Plant Phenotyping Not Your Stereo-Typical Estimator: Combining Vision and Language for Volume Perception
VEDA: 3D Molecular Generation via Variance-Exploding Diff...
Peining Zhang, Jinbo Bi, Minghu Song · 2025-11-11 · via cs.CV updates on arXiv.org

Diffusion models show promise for 3D molecular generation, but face a fundamental trade-off between sampling efficiency and conformational accuracy. While flow-based models are fast, they often produce geometrically inaccurate structures, as they have difficulty capturing the multimodal distributions of molecular conformations. In contrast, denoising diffusion models are more accurate but suffer from slow sampling, a limitation attributed to sub-optimal integration between diffusion dynamics and SE(3)-equivariant architectures. To address this, we propose VEDA, a unified SE(3)-equivariant framework that combines variance-exploding diffusion with annealing to efficiently generate conformationally accurate 3D molecular structures. Specifically, our key technical contributions include: (1) a VE schedule that enables noise injection functionally analogous to simulated annealing, improving 3D accuracy and reducing relaxation energy; (2) a novel preconditioning scheme that reconciles the coordinate-predicting nature of SE(3)-equivariant networks with a residual-based diffusion objective, and (3) a new arcsin-based scheduler that concentrates sampling in critical intervals of the logarithmic signal-to-noise ratio. On the QM9 and GEOM-DRUGS datasets, VEDA matches the sampling efficiency of flow-based models, achieving state-of-the-art valency stability and validity with only 100 sampling steps. More importantly, VEDA's generated structures are remarkably stable, as measured by their relaxation energy during GFN2-xTB optimization. The median energy change is only 1.72 kcal/mol, significantly lower than the 32.3 kcal/mol from its architectural baseline, SemlaFlow. Our framework demonstrates that principled integration of VE diffusion with SE(3)-equivariant architectures can achieve both high chemical accuracy and computational efficiency.