The diffusion model with multiple conditions has received widespread attention in the field of drug design due to its high-quality generation ability. However, the paradigm of directly generating new molecules from conditions used in existing work has not accurately fitted the joint distribution of multiple conditions during the generation process. To address this issue, we propose Graph Diffusion Evolution Model(GDEM) for multi conditional molecule generation. GDEM decomposes the process of molecular generation into a chain-like Markov evolution process, continuously adjusting the molecular structure and gradually approaching the true multi-conditional joint distribution. Meanwhile, in order to effectively train this chain evolution generative model, we also propose a two-stage training approximation method to complete the training of intermediate steps. We validated the effectiveness of GDEM on multiple polymer datasets and small molecule datasets, and the results showed that GDEM has advantages in molecular properties and condition control compared to traditional methods.

Graph neural networks (GNNs) provide important prospective insights in applications such as social behavior analysis and financial risk analysis based on their powerful learning capabilities on graph data. Nevertheless, GNNs' predictive performance relies on the quality of task-specific node labels, so it is common practice to improve the model's generalization ability in the downstream execution of decision-making tasks through pre-training. Graph prompting is a prudent choice but risky without taking measures to prevent data leakage. In other words, in high-risk decision scenarios, prompt learning can infer private information by accessing model parameters trained on private data (publishing model parameters in pre-training, i.e., without directly leaking the raw data, is a tacitly accepted trend). However, myriad graph inference attacks necessitate tailored module design and processing to enhance inference capabilities due to variations in supervision signals. In this paper, we propose a novel Prompt-based unifying Inference Attack framework on GNNs, named ProIA. Specifically, ProIA retains the crucial topological information of the graph during pre-training, enhancing the background knowledge of the inference attack model. It then utilizes a unified prompt and introduces additional disentanglement factors in downstream attacks to adapt to task-relevant knowledge. Finally, extensive experiments show that ProIA enhances attack capabilities and demonstrates remarkable adaptability to various inference attacks.

The photorealistic modeling of large-scale objects, such as urban scenes, requires the combination of range sensing technology and digital photography. In this paper, we attack the key problem of camera pose estimation, in an automatic and efficient way. First, the camera orientation is recovered by matching vanishing points (extracted from 2D images) with 3D directions (derived from a 3D range model). Then, a hypothesis-and-test algorithm computes the camera positions with respect to the 3D range model by matching corresponding 2D and 3D linear features. The camera positions are further optimized by minimizing a line-to-line distance. The advantage of our method over earlier work has to do with the fact we do not need to rely on extracted planar facades, or other higher-order features; we are utilizing low- level linear features. That makes this method more general, robust, and efficient. Our method can also be enhanced by the incorporation of traditional structure-from-motion algorithms. We have also developed a user-interface for allowing users to accurately texture-map 2D images onto 3D range models at interactive rates. We have tested our system in a large variety of urban scenes.

The photorealistic modeling of large-scale scenes, such as urban structures, requires a fusion of range sensing technology and traditional digital photography. This paper presents a system that integrates multiview geometry and automated 3D registration techniques for texture mapping 2D images onto 3D range data. The 3D range scans and the 2D photographs are respectively used to generate a pair of 3D models of the scene. The first model consists of a dense 3D point cloud, produced by using a 3D-to-3D registration method that matches 3D lines in the range images. The second model consists of a sparse 3D point cloud, produced by applying a multiview geometry (structure-from-motion) algorithm directly on a sequence of 2D photographs. This paper introduces a novel algorithm for automatically recovering the rotation, scale, and translation that best aligns the dense and sparse models. This alignment is necessary to enable the photographs to be optimally texture mapped onto the dense model. The contribution of this work is that it merges the benefits of multiview geometry with automated registration of 3D range scans to produce photorealistic models with minimal human interaction. We present results from experiments in large-scale urban scenes.

This paper presents a novel and efficient algorithm for the 3D range to 2D image registration problem in urban scene settings. Our input is a set of unregistered 3D range scans and a set of unregistered and uncalibrated 2D images of the scene. The 3D range scans and 2D images capture real scenes in extremely high detail. A new automated algorithm calibrates each 2D image and computes an optimized transformation between the 2D images and 3D range scans. This transformation is based on a match of 3D with 2D features that maximizes an overlap criterion. Our algorithm attacks the hard 3D range to 2D image registration problem in a systematic, efficient, and automatic way. Images captured by a high-resolution 2D camera, that moves and adjusts freely, are mapped on a centimeter-accurate 3D model of the scene providing photorealistic renderings of high quality. We present results from experiments in three different urban settings.