Space Group Constrained Crystal Generation

Crystals are the foundation of numerous scientific and industrial applications. While various learning-based approaches have been proposed for crystal generation, existing methods seldom consider the space group constraint which is crucial in describing the geometry of crystals and closely relevant to many desirable properties. However, considering space group constraint is challenging owing to its diverse and nontrivial forms. In this paper, we reduce the space group constraint into an equivalent formulation that is more tractable to be handcrafted into the generation process. In particular, we translate the space group constraint into two parts: the basis constraint of the invariant logarithmic space of the lattice matrix and the Wyckoff position constraint of the fractional coordinates. Upon the derived constraints, we then propose DiffCSP++, a novel diffusion model that has enhanced a previous work DiffCSP by further taking space group constraint into account. Experiments on several popular datasets verify the benefit of the involvement of the space group constraint, and show that our DiffCSP++ achieves promising performance on crystal structure prediction, ab initio crystal generation and controllable generation with customized space groups.

AnimateLCM: Accelerating the Animation of Personalized Diffusion Models and Adapters with Decoupled Consistency Learning

Video diffusion models has been gaining increasing attention for its ability to produce videos that are both coherent and of high fidelity. However, the iterative denoising process makes it computationally intensive and time-consuming, thus limiting its applications. Inspired by the Consistency Model (CM) that distills pretrained image diffusion models to accelerate the sampling with minimal steps and its successful extension Latent Consistency Model (LCM) on conditional image generation, we propose AnimateLCM, allowing for high-fidelity video generation within minimal steps. Instead of directly conducting consistency learning on the raw video dataset, we propose a decoupled consistency learning strategy that decouples the distillation of image generation priors and motion generation priors, which improves the training efficiency and enhance the generation visual quality. Additionally, to enable the combination of plug-and-play adapters in stable diffusion community to achieve various functions (e.g., ControlNet for controllable generation). we propose an efficient strategy to adapt existing adapters to our distilled text-conditioned video consistency model or train adapters from scratch without harming the sampling speed. We validate the proposed strategy in image-conditioned video generation and layout-conditioned video generation, all achieving top-performing results. Experimental results validate the effectiveness of our proposed method. Code and weights will be made public. More details are available at https://github.com/G-U-N/AnimateLCM.

UV-SAM: Adapting Segment Anything Model for Urban Village Identification

Urban villages, defined as informal residential areas in or around urban centers, are characterized by inadequate infrastructures and poor living conditions, closely related to the Sustainable Development Goals (SDGs) on poverty, adequate housing, and sustainable cities. Traditionally, governments heavily depend on field survey methods to monitor the urban villages, which however are time-consuming, labor-intensive, and possibly delayed. Thanks to widely available and timely updated satellite images, recent studies develop computer vision techniques to detect urban villages efficiently. However, existing studies either focus on simple urban village image classification or fail to provide accurate boundary information. To accurately identify urban village boundaries from satellite images, we harness the power of the vision foundation model and adapt the Segment Anything Model (SAM) to urban village segmentation, named UV-SAM. Specifically, UV-SAM first leverages a small-sized semantic segmentation model to produce mixed prompts for urban villages, including mask, bounding box, and image representations, which are then fed into SAM for fine-grained boundary identification. Extensive experimental results on two datasets in China demonstrate that UV-SAM outperforms existing baselines, and identification results over multiple years show that both the number and area of urban villages are decreasing over time, providing deeper insights into the development trends of urban villages and sheds light on the vision foundation models for sustainable cities. The dataset and codes of this study are available at https://github.com/tsinghua-fib-lab/UV-SAM.

StrokeNUWA: Tokenizing Strokes for Vector Graphic Synthesis

To leverage LLMs for visual synthesis, traditional methods convert raster image information into discrete grid tokens through specialized visual modules, while disrupting the model's ability to capture the true semantic representation of visual scenes. This paper posits that an alternative representation of images, vector graphics, can effectively surmount this limitation by enabling a more natural and semantically coherent segmentation of the image information. Thus, we introduce StrokeNUWA, a pioneering work exploring a better visual representation ''stroke tokens'' on vector graphics, which is inherently visual semantics rich, naturally compatible with LLMs, and highly compressed. Equipped with stroke tokens, StrokeNUWA can significantly surpass traditional LLM-based and optimization-based methods across various metrics in the vector graphic generation task. Besides, StrokeNUWA achieves up to a 94x speedup in inference over the speed of prior methods with an exceptional SVG code compression ratio of 6.9%.

Knowledge-aware Graph Transformer for Pedestrian Trajectory Prediction

Predicting pedestrian motion trajectories is crucial for path planning and motion control of autonomous vehicles. Accurately forecasting crowd trajectories is challenging due to the uncertain nature of human motions in different environments. For training, recent deep learning-based prediction approaches mainly utilize information like trajectory history and interactions between pedestrians, among others. This can limit the prediction performance across various scenarios since the discrepancies between training datasets have not been properly incorporated. To overcome this limitation, this paper proposes a graph transformer structure to improve prediction performance, capturing the differences between the various sites and scenarios contained in the datasets. In particular, a self-attention mechanism and a domain adaption module have been designed to improve the generalization ability of the model. Moreover, an additional metric considering cross-dataset sequences is introduced for training and performance evaluation purposes. The proposed framework is validated and compared against existing methods using popular public datasets, i.e., ETH and UCY. Experimental results demonstrate the improved performance of our proposed scheme.

Mutual Information as Intrinsic Reward of Reinforcement Learning Agents for On-demand Ride Pooling

The emergence of on-demand ride pooling services allows each vehicle to serve multiple passengers at a time, thus increasing drivers' income and enabling passengers to travel at lower prices than taxi/car on-demand services (only one passenger can be assigned to a car at a time like UberX and Lyft). Although on-demand ride pooling services can bring so many benefits, ride pooling services need a well-defined matching strategy to maximize the benefits for all parties (passengers, drivers, aggregation companies and environment), in which the regional dispatching of vehicles has a significant impact on the matching and revenue. Existing algorithms often only consider revenue maximization, which makes it difficult for requests with unusual distribution to get a ride. How to increase revenue while ensuring a reasonable assignment of requests brings a challenge to ride pooling service companies (aggregation companies). In this paper, we propose a framework for vehicle dispatching for ride pooling tasks, which splits the city into discrete dispatching regions and uses the reinforcement learning (RL) algorithm to dispatch vehicles in these regions. We also consider the mutual information (MI) between vehicle and order distribution as the intrinsic reward of the RL algorithm to improve the correlation between their distributions, thus ensuring the possibility of getting a ride for unusually distributed requests. In experimental results on a real-world taxi dataset, we demonstrate that our framework can significantly increase revenue up to an average of 3\% over the existing best on-demand ride pooling method.

AllSpark: a multimodal spatiotemporal general model

For a long time, due to the high heterogeneity in structure and semantics among various spatiotemporal modal data, the joint interpretation of multimodal spatiotemporal data has been an extremely challenging problem. The primary challenge resides in striking a trade-off between the cohesion and autonomy of diverse modalities, and this trade-off exhibits a progressively nonlinear nature as the number of modalities expands. We introduce the Language as Reference Framework (LaRF), a fundamental principle for constructing a multimodal unified model, aiming to strike a trade-off between the cohesion and autonomy among different modalities. We propose a multimodal spatiotemporal general artificial intelligence model, called AllSpark. Our model integrates thirteen different modalities into a unified framework, including 1D (text, code), 2D (RGB, infrared, SAR, multispectral, hyperspectral, tables, graphs, trajectory, oblique photography), and 3D (point clouds, videos) modalities. To achieve modal cohesion, AllSpark uniformly maps diverse modal features to the language modality. In addition, we design modality-specific prompts to guide multi-modal large language models in accurately perceiving multimodal data. To maintain modality autonomy, AllSpark introduces modality-specific encoders to extract the tokens of various spatiotemporal modalities. And modal bridge is employed to achieve dimensional projection from each modality to the language modality. Finally, observing a gap between the model's interpretation and downstream tasks, we designed task heads to enhance the model's generalization capability on specific downstream tasks. Experiments indicate that AllSpark achieves competitive accuracy in modalities such as RGB and trajectory compared to state-of-the-art models.

TagAlign: Improving Vision-Language Alignment with Multi-Tag Classification

The crux of learning vision-language models is to extract semantically aligned information from visual and linguistic data. Existing attempts usually face the problem of coarse alignment, e.g., the vision encoder struggles in localizing an attribute-specified object. In this work, we propose an embarrassingly simple approach to better align image and text features with no need of additional data formats other than image-text pairs. Concretely, given an image and its paired text, we manage to parse objects (e.g., cat) and attributes (e.g., black) from the description, which are highly likely to exist in the image. It is noteworthy that the parsing pipeline is fully automatic and thus enjoys good scalability. With these parsed semantics as supervision signals, we can complement the commonly used image-text contrastive loss with the multi-tag classification loss. Extensive experimental results on a broad suite of semantic segmentation datasets substantiate the average 3.65\% improvement of our framework over existing alternatives. Furthermore, the visualization results indicate that attribute supervision makes vision-language models accurately localize attribute-specified objects. Project page and code can be found at https://qinying-liu.github.io/Tag-Align.