GraphVF: Controllable Protein-Specific 3D Molecule Generation with Variational FlowFang Sun, Zhihao Zhan, Hongyu Guo et al.
Designing molecules that bind to specific target proteins is a fundamental task in drug discovery. Recent models leverage geometric constraints to generate ligand molecules that bind cohesively with specific protein pockets. However, these models cannot effectively generate 3D molecules with 2D skeletal curtailments and property constraints, which are pivotal to drug potency and development. To tackle this challenge, we propose GraphVF, a variational flow-based framework that combines 2D topology and 3D geometry, for controllable generation of binding 3D molecules. Empirically, our method achieves state-of-the-art binding affinity and realistic sub-structural layouts for protein-specific generation. In particular, GraphVF represents the first controllable geometry-aware, protein-specific molecule generation method, which can generate binding 3D molecules with tailored sub-structures and physio-chemical properties. Our code is available at https://github.com/Franco-Solis/GraphVF-code.
7.1ROMay 2
Terrain Perception for Agricultural UAVs in Complex Farmland via Rotating mmWave RadarZhihao Zhan, Le Tao, Shaobin Li et al.
Accurate terrain perception is essential for terrain-following flight of agricultural unmanned aerial vehicles (UAVs), yet remains challenging in real-world farmland due to occlusions, complex terrain geometry, and environmental disturbances. Millimeter-wave (mmWave) radar is a promising sensing modality for this task due to its robustness to adverse conditions; however, existing UAV-mounted radar systems rely on fixed field of view (FoV) and terrain extraction methods designed for dense LiDAR data, leading to incomplete and unreliable terrain estimation. To address these limitations, we present a low-cost rotating mmWave radar-enabled terrain perception framework for agricultural UAVs operating in complex farmland environments. Specifically, a mechanically rotating sensing design is introduced to enlarge spatial coverage and improve terrain observability beyond the limitations of fixed-view radar under dynamic low-altitude flight. Building upon this sensing capability, we further design a pose-consistent terrain reconstruction pipeline tailored for sparse, noisy, and partially observable radar data, enabling reliable ground extraction and continuous terrain surface estimation in challenging agricultural scenarios. The complete system is deployed on a real agricultural UAV platform and comprehensively evaluated through extensive field experiments. Experimental results demonstrate improved terrain coverage and estimation accuracy, achieving an F1 score of 94.42 for ground segmentation, while the closest rival only achieves 90.48. Thus, leading to more robust terrain following flight.
7.1LGJul 1, 2025
Overcoming Long-Context Limitations of State-Space Models via Context-Dependent Sparse AttentionZhihao Zhan, Jianan Zhao, Zhaocheng Zhu et al.
Efficient long-context modeling remains a critical challenge for natural language processing (NLP), as the time complexity of the predominant Transformer architecture scales quadratically with the sequence length. While state-space models (SSMs) offer alternative sub-quadratic solutions, they struggle to capture long-range dependencies effectively. In this work, we focus on analyzing and improving the long-context modeling capabilities of SSMs. We show that the widely used synthetic task, associative recall, which requires a model to recall a value associated with a single key without context, insufficiently represents the complexities of real-world long-context modeling. To address this limitation, we extend the associative recall to a novel synthetic task, \emph{joint recall}, which requires a model to recall the value associated with a key given in a specified context. Theoretically, we prove that SSMs do not have the expressiveness to solve multi-query joint recall in sub-quadratic time complexity. To resolve this issue, we propose a solution based on integrating SSMs with Context-Dependent Sparse Attention (CDSA), which has the expressiveness to solve multi-query joint recall with sub-quadratic computation. To bridge the gap between theoretical analysis and real-world applications, we propose locality-sensitive Hashing Attention with sparse Key Selection (HAX), which instantiates the theoretical solution and is further tailored to natural language domains. Extensive experiments on both synthetic and real-world long-context benchmarks show that HAX consistently outperforms SSM baselines and SSMs integrated with context-independent sparse attention (CISA).
8.6IVJan 22, 2025
Image Motion Blur Removal in the Temporal Dimension with Video Diffusion ModelsWang Pang, Zhihao Zhan, Xiang Zhu et al.
Most motion deblurring algorithms rely on spatial-domain convolution models, which struggle with the complex, non-linear blur arising from camera shake and object motion. In contrast, we propose a novel single-image deblurring approach that treats motion blur as a temporal averaging phenomenon. Our core innovation lies in leveraging a pre-trained video diffusion transformer model to capture diverse motion dynamics within a latent space. It sidesteps explicit kernel estimation and effectively accommodates diverse motion patterns. We implement the algorithm within a diffusion-based inverse problem framework. Empirical results on synthetic and real-world datasets demonstrate that our method outperforms existing techniques in deblurring complex motion blur scenarios. This work paves the way for utilizing powerful video diffusion models to address single-image deblurring challenges.
12.3RONov 26, 2025
$\mathcal{E}_0$: Enhancing Generalization and Fine-Grained Control in VLA Models via Continuized Discrete DiffusionZhihao Zhan, Jiaying Zhou, Likui Zhang et al.
Vision-Language-Action (VLA) models offer a unified framework for robotic manipulation by integrating visual perception, language understanding, and control generation. Yet existing VLA models still struggle to generalize across diverse tasks, scenes, and camera viewpoints, and often produce coarse or unstable actions. We introduce E0, a continuized discrete diffusion framework that formulates action generation as iterative denoising over quantized action tokens. Compared with continuous diffusion policies, E0 offers two key advantages: (1) discrete action tokens align naturally with the symbolic structure of pretrained VLM/VLA backbones, enabling stronger semantic conditioning; and 2. discrete diffusion matches the true quantized nature of real-world robot control-whose hardware constraints (e.g., encoder resolution, control frequency, actuation latency) inherently discretize continuous signals-and therefore benefits from a Bayes-optimal denoiser that models the correct discrete action distribution, leading to stronger generalization. Compared with discrete autoregressive and mask-based discrete diffusion models, E0 supports a significantly larger and finer-grained action vocabulary and avoids the distributional mismatch introduced by masking-based corruptions-yielding more accurate fine-grained action control. We further introduce a spherical viewpoint perturbation augmentation method to improve robustness to camera shifts without additional data. Experiments on LIBERO, VLABench, and ManiSkill show that E0 achieves state-of-the-art performance across 14 diverse environments, outperforming strong baselines by 10.7% on average. Real-world evaluation on a Franka arm confirms that E0 delivers precise, robust, and transferable manipulation, establishing discrete diffusion as a promising direction for generalizable VLA policy learning.
8.4CVMar 5, 2025
Rethinking Video Super-Resolution: Towards Diffusion-Based Methods without Motion AlignmentZhihao Zhan, Wang Pang, Xiang Zhu et al.
In this work, we rethink the approach to video super-resolution by introducing a method based on the Diffusion Posterior Sampling framework, combined with an unconditional video diffusion transformer operating in latent space. The video generation model, a diffusion transformer, functions as a space-time model. We argue that a powerful model, which learns the physics of the real world, can easily handle various kinds of motion patterns as prior knowledge, thus eliminating the need for explicit estimation of optical flows or motion parameters for pixel alignment. Furthermore, a single instance of the proposed video diffusion transformer model can adapt to different sampling conditions without re-training. Empirical results on synthetic and real-world datasets illustrate the feasibility of diffusion-based, alignment-free video super-resolution.