Jingbo Zhou

Congxi Xiao, Jingbo Zhou, Jizhou Huang et al. · baidu

Graph Neural Networks (GNNs) have been broadly applied in many urban applications upon formulating a city as an urban graph whose nodes are urban objects like regions or points of interest. Recently, a few enhanced GNN architectures have been developed to tackle heterophily graphs where connected nodes are dissimilar. However, urban graphs usually can be observed to possess a unique spatial heterophily property; that is, the dissimilarity of neighbors at different spatial distances can exhibit great diversity. This property has not been explored, while it often exists. To this end, in this paper, we propose a metric, named Spatial Diversity Score, to quantitatively measure the spatial heterophily and show how it can influence the performance of GNNs. Indeed, our experimental investigation clearly shows that existing heterophilic GNNs are still deficient in handling the urban graph with high spatial diversity score. This, in turn, may degrade their effectiveness in urban applications. Along this line, we propose a Spatial Heterophily Aware Graph Neural Network (SHGNN), to tackle the spatial diversity of heterophily of urban graphs. Based on the key observation that spatially close neighbors on the urban graph present a more similar mode of difference to the central node, we first design a rotation-scaling spatial aggregation module, whose core idea is to properly group the spatially close neighbors and separately process each group with less diversity inside. Then, a heterophily-sensitive spatial interaction module is designed to adaptively capture the commonality and diverse dissimilarity in different spatial groups. Extensive experiments on three real-world urban datasets demonstrate the superiority of our SHGNN over several its competitors.

Shuangli Li, Jingbo Zhou, Ji Liu et al.

Finding multiple temporal relationships among locations can benefit a bunch of urban applications, such as dynamic offline advertising and smart public transport planning. While some efforts have been made on finding static relationships among locations, little attention is focused on studying time-aware location relationships. Indeed, abundant location-based human activities are time-varying and the availability of these data enables a new paradigm for understanding the dynamic relationships in a period among connective locations. To this end, we propose to study a new problem, namely multi-Temporal relationship inference among locations (Trial for short), where the major challenge is how to integrate dynamic and geographical influence under the relationship sparsity constraint. Specifically, we propose a solution to Trial with a graph learning scheme, which includes a spatially evolving graph neural network (SEENet) with two collaborative components: spatially evolving graph convolution module (SEConv) and spatially evolving self-supervised learning strategy (SE-SSL). SEConv performs the intra-time aggregation and inter-time propagation to capture the multifaceted spatially evolving contexts from the view of location message passing. In addition, SE-SSL designs time-aware self-supervised learning tasks in a global-local manner with additional evolving constraint to enhance the location representation learning and further handle the relationship sparsity. Finally, experiments on four real-world datasets demonstrate the superiority of our method over several state-of-the-art approaches.

Weijia Zhang, Le Zhang, Jindong Han et al.

Accurate traffic forecasting is crucial for the development of Intelligent Transportation Systems (ITS), playing a pivotal role in modern urban traffic management. Traditional forecasting methods, however, struggle with the irregular traffic time series resulting from adaptive traffic signal controls, presenting challenges in asynchronous spatial dependency, irregular temporal dependency, and predicting variable-length sequences. To this end, we propose an Asynchronous Spatio-tEmporal graph convolutional nEtwoRk (ASeer) tailored for irregular traffic time series forecasting. Specifically, we first propose an Asynchronous Graph Diffusion Network to capture the spatial dependency between asynchronously measured traffic states regulated by adaptive traffic signals. After that, to capture the temporal dependency within irregular traffic state sequences, a personalized time encoding is devised to embed the continuous time signals. Then, we propose a Transformable Time-aware Convolution Network, which adapts meta-filters for time-aware convolution on the sequences with inconsistent temporal flow. Additionally, a Semi-Autoregressive Prediction Network, comprising a state evolution unit and a semi-autoregressive predictor, is designed to predict variable-length traffic sequences effectively and efficiently. Extensive experiments on a newly established benchmark demonstrate the superiority of ASeer compared with twelve competitive baselines across six metrics.

Le Zhang, Yixiong Xiao, Xinjiang Lu et al.

Graphical User Interface (GUI) agents show great potential for enabling foundation models to complete real-world tasks, revolutionizing human-computer interaction and improving human productivity. In this report, we present OmegaUse, a general-purpose GUI agent model for autonomous task execution on both mobile and desktop platforms, supporting computer-use and phone-use scenarios. Building an effective GUI agent model relies on two factors: (1) high-quality data and (2) effective training methods. To address these, we introduce a carefully engineered data-construction pipeline and a decoupled training paradigm. For data construction, we leverage rigorously curated open-source datasets and introduce a novel automated synthesis framework that integrates bottom-up autonomous exploration with top-down taxonomy-guided generation to create high-fidelity synthetic data. For training, to better leverage these data, we adopt a two-stage strategy: Supervised Fine-Tuning (SFT) to establish fundamental interaction syntax, followed by Group Relative Policy Optimization (GRPO) to improve spatial grounding and sequential planning. To balance computational efficiency with agentic reasoning capacity, OmegaUse is built on a Mixture-of-Experts (MoE) backbone. To evaluate cross-terminal capabilities in an offline setting, we introduce OS-Nav, a benchmark suite spanning multiple operating systems: ChiM-Nav, targeting Chinese Android mobile environments, and Ubu-Nav, focusing on routine desktop interactions on Ubuntu. Extensive experiments show that OmegaUse is highly competitive across established GUI benchmarks, achieving a state-of-the-art (SOTA) score of 96.3% on ScreenSpot-V2 and a leading 79.1% step success rate on AndroidControl. OmegaUse also performs strongly on OS-Nav, reaching 74.24% step success on ChiM-Nav and 55.9% average success on Ubu-Nav.

Jian Xiong, Jingbo Zhou, Zihan Zhou et al.

Latent learning, classically theorized by Tolman, shows that biological agents (e.g., rats) can acquire internal representations of their environment without rewards, enabling rapid adaptation once rewards are introduced. In contrast, from a cognitive science perspective, reward learning remains overly dependent on external feedback, limiting flexibility and generalization. Although recent advances in the reasoning capabilities of large language models (LLMs), such as OpenAI-o1 and DeepSeek-R1, mark a significant breakthrough, these models still rely primarily on reward-centric reinforcement learning paradigms. Whether and how the well-established phenomenon of latent learning in psychology can inform or emerge within LLMs' training remains largely unexplored. In this work, we present novel findings from our experiments that LLMs also exhibit the latent learning dynamics. During an initial phase of unrewarded exploration, LLMs display modest performance improvements, as this phase allows LLMs to organize task-relevant knowledge without being constrained by reward-driven biases, and performance is further enhanced once rewards are introduced. LLMs post-trained under this two-stage exploration regime ultimately achieve higher competence than those post-trained with reward-based reinforcement learning throughout. Beyond these empirical observations, we also provide theoretical analyses for our experiments explaining why unrewarded exploration yields performance gains, offering a mechanistic account of these dynamics. Specifically, we conducted extensive experiments across multiple model families and diverse task domains to establish the existence of the latent learning dynamics in LLMs.

Xinhang Li, Jingbo Zhou, Pengfei Luo et al.

Recent advances in multimodal large language models (MLLMs) highlight the need for benchmarks that rigorously evaluate structured chart comprehension.Chart grounding refers to the bidirectional alignment between a chart's visual appearance and the structured semantics. This task requires models to produce a symbolic specification that faithfully captures the chart's visual and structural intent, while also recovering the underlying tabular data with precise values and relationships. Chart grounding directly reflects a model's capabilities in numerical reasoning, multimodal alignment, and structural reconstruction, and has several important applications in real-world scenarios.Existing benchmarks, constrained by narrow chart diversity, isolated tasks, and incomplete evaluation frameworks, fail to holistically assess grounding. To address this, we propose ChartAnchor, a comprehensive benchmark of 8k+ chart-table-code triples spanning 30 chart types drawn from diverse real-world and augmented sources. ChartAnchor introduces two complementary tasks: chart-to-code generation (synthesizing executable code to replicate charts) and controlled chart-to-table reconstruction (extracting exact data with predefined headers), enabling cross-validation of visual and numerical fidelity. A multi-level evaluation framework integrates semantic validation, stylistic analysis, and perceptual metrics to assess both structural and content-level correctness. Extensive experiments on MLLMs reveal critical limitations in numerical precision and code synthesis, emphasizing the need for structured reasoning beyond surface-level perception. By unifying symbolic and data-driven grounding, ChartAnchor establishes a rigorous foundation for chart grounding, offering meaningful insights for advancing MLLMs in scientific, financial, and industrial domains.

Congxi Xiao, Jingbo Zhou, Yixiong Xiao et al.

We present TimeFound, an encoder-decoder transformer-based time series foundation model for out-of-the-box zero-shot forecasting. To handle time series data from various domains, TimeFound employs a multi-resolution patching strategy to capture complex temporal patterns at multiple scales. We pre-train our model with two sizes (200M and 710M parameters) on a large time-series corpus comprising both real-world and synthetic datasets. Over a collection of unseen datasets across diverse domains and forecasting horizons, our empirical evaluations suggest that TimeFound can achieve superior or competitive zero-shot forecasting performance, compared to state-of-the-art time series foundation models.

Changxi Chi, Jun Xia, Jingbo Zhou et al.

Predicting genetic perturbations enables the identification of potentially crucial genes prior to wet-lab experiments, significantly improving overall experimental efficiency. Since genes are the foundation of cellular life, building gene regulatory networks (GRN) is essential to understand and predict the effects of genetic perturbations. However, current methods fail to fully leverage gene-related information, and solely rely on simple evaluation metrics to construct coarse-grained GRN. More importantly, they ignore functional differences between biotypes, limiting the ability to capture potential gene interactions. In this work, we leverage pre-trained large language model and DNA sequence model to extract features from gene descriptions and DNA sequence data, respectively, which serve as the initialization for gene representations. Additionally, we introduce gene biotype information for the first time in genetic perturbation, simulating the distinct roles of genes with different biotypes in regulating cellular processes, while capturing implicit gene relationships through graph structure learning (GSL). We propose GRAPE, a heterogeneous graph neural network (HGNN) that leverages gene representations initialized with features from descriptions and sequences, models the distinct roles of genes with different biotypes, and dynamically refines the GRN through GSL. The results on publicly available datasets show that our method achieves state-of-the-art performance.

Jiabei Cheng, Changxi Chi, Jingbo Zhou et al.

In single-cell perturbation prediction, a central task is to forecast the effects of perturbing a gene unseen in the training data. The efficacy of such predictions depends on two factors: (1) the similarity of the target gene to those covered in the training data, which informs model (epistemic) uncertainty, and (2) the quality of the corresponding training data, which reflects data (aleatoric) uncertainty. Both factors are critical for determining the reliability of a prediction, particularly as gene perturbation is an inherently stochastic biochemical process. In this paper, we propose PRESCRIBE (PREdicting Single-Cell Response wIth Bayesian Estimation), a multivariate deep evidential regression framework designed to measure both sources of uncertainty jointly. Our analysis demonstrates that PRESCRIBE effectively estimates a confidence score for each prediction, which strongly correlates with its empirical accuracy. This capability enables the filtering of untrustworthy results, and in our experiments, it achieves steady accuracy improvements of over 3% compared to comparable baselines.

Shuangli Li, Jingbo Zhou, Tong Xu et al.

Drug discovery often relies on the successful prediction of protein-ligand binding affinity. Recent advances have shown great promise in applying graph neural networks (GNNs) for better affinity prediction by learning the representations of protein-ligand complexes. However, existing solutions usually treat protein-ligand complexes as topological graph data, thus the biomolecular structural information is not fully utilized. The essential long-range interactions among atoms are also neglected in GNN models. To this end, we propose a structure-aware interactive graph neural network (SIGN) which consists of two components: polar-inspired graph attention layers (PGAL) and pairwise interactive pooling (PiPool). Specifically, PGAL iteratively performs the node-edge aggregation process to update embeddings of nodes and edges while preserving the distance and angle information among atoms. Then, PiPool is adopted to gather interactive edges with a subsequent reconstruction loss to reflect the global interactions. Exhaustive experimental study on two benchmarks verifies the superiority of SIGN.

Xiaomin Fang, Lihang Liu, Jieqiong Lei et al.

Effective molecular representation learning is of great importance to facilitate molecular property prediction, which is a fundamental task for the drug and material industry. Recent advances in graph neural networks (GNNs) have shown great promise in applying GNNs for molecular representation learning. Moreover, a few recent studies have also demonstrated successful applications of self-supervised learning methods to pre-train the GNNs to overcome the problem of insufficient labeled molecules. However, existing GNNs and pre-training strategies usually treat molecules as topological graph data without fully utilizing the molecular geometry information. Whereas, the three-dimensional (3D) spatial structure of a molecule, a.k.a molecular geometry, is one of the most critical factors for determining molecular physical, chemical, and biological properties. To this end, we propose a novel Geometry Enhanced Molecular representation learning method (GEM) for Chemical Representation Learning (ChemRL). At first, we design a geometry-based GNN architecture that simultaneously models atoms, bonds, and bond angles in a molecule. To be specific, we devised double graphs for a molecule: The first one encodes the atom-bond relations; The second one encodes bond-angle relations. Moreover, on top of the devised GNN architecture, we propose several novel geometry-level self-supervised learning strategies to learn spatial knowledge by utilizing the local and global molecular 3D structures. We compare ChemRL-GEM with various state-of-the-art (SOTA) baselines on different molecular benchmarks and exhibit that ChemRL-GEM can significantly outperform all baselines in both regression and classification tasks. For example, the experimental results show an overall improvement of 8.8% on average compared to SOTA baselines on the regression tasks, demonstrating the superiority of the proposed method.

Hui Luo, Jingbo Zhou, Zhifeng Bao et al.

Existing spatial object recommendation algorithms generally treat objects identically when ranking them. However, spatial objects often cover different levels of spatial granularity and thereby are heterogeneous. For example, one user may prefer to be recommended a region (say Manhattan), while another user might prefer a venue (say a restaurant). Even for the same user, preferences can change at different stages of data exploration. In this paper, we study how to support top-k spatial object recommendations at varying levels of spatial granularity, enabling spatial objects at varying granularity, such as a city, suburb, or building, as a Point of Interest (POI). To solve this problem, we propose the use of a POI tree, which captures spatial containment relationships between POIs. We design a novel multi-task learning model called MPR (short for Multi-level POI Recommendation), where each task aims to return the top-k POIs at a certain spatial granularity level. Each task consists of two subtasks: (i) attribute-based representation learning; (ii) interaction-based representation learning. The first subtask learns the feature representations for both users and POIs, capturing attributes directly from their profiles. The second subtask incorporates user-POI interactions into the model. Additionally, MPR can provide insights into why certain recommendations are being made to a user based on three types of hints: user-aspect, POI-aspect, and interaction-aspect. We empirically validate our approach using two real-life datasets, and show promising performance improvements over several state-of-the-art methods.

Congxi Xiao, Jingbo Zhou, Jizhou Huang et al.

The novel coronavirus disease (COVID-19) has crushed daily routines and is still rampaging through the world. Existing solution for nonpharmaceutical interventions usually needs to timely and precisely select a subset of residential urban areas for containment or even quarantine, where the spatial distribution of confirmed cases has been considered as a key criterion for the subset selection. While such containment measure has successfully stopped or slowed down the spread of COVID-19 in some countries, it is criticized for being inefficient or ineffective, as the statistics of confirmed cases are usually time-delayed and coarse-grained. To tackle the issues, we propose C-Watcher, a novel data-driven framework that aims at screening every neighborhood in a target city and predicting infection risks, prior to the spread of COVID-19 from epicenters to the city. In terms of design, C-Watcher collects large-scale long-term human mobility data from Baidu Maps, then characterizes every residential neighborhood in the city using a set of features based on urban mobility patterns. Furthermore, to transfer the firsthand knowledge (witted in epicenters) to the target city before local outbreaks, we adopt a novel adversarial encoder framework to learn "city-invariant" representations from the mobility-related features for precise early detection of high-risk neighborhoods, even before any confirmed cases known, in the target city. We carried out extensive experiments on C-Watcher using the real-data records in the early stage of COVID-19 outbreaks, where the results demonstrate the efficiency and effectiveness of C-Watcher for early detection of high-risk neighborhoods from a large number of cities.

Jingbo Zhou, Shuangli Li, Liang Huang et al.

Accurately predicting the binding affinity between drugs and proteins is an essential step for computational drug discovery. Since graph neural networks (GNNs) have demonstrated remarkable success in various graph-related tasks, GNNs have been considered as a promising tool to improve the binding affinity prediction in recent years. However, most of the existing GNN architectures can only encode the topological graph structure of drugs and proteins without considering the relative spatial information among their atoms. Whereas, different from other graph datasets such as social networks and commonsense knowledge graphs, the relative spatial position and chemical bonds among atoms have significant impacts on the binding affinity. To this end, in this paper, we propose a diStance-aware Molecule graph Attention Network (S-MAN) tailored to drug-target binding affinity prediction. As a dedicated solution, we first propose a position encoding mechanism to integrate the topological structure and spatial position information into the constructed pocket-ligand graph. Moreover, we propose a novel edge-node hierarchical attentive aggregation structure which has edge-level aggregation and node-level aggregation. The hierarchical attentive aggregation can capture spatial dependencies among atoms, as well as fuse the position-enhanced information with the capability of discriminating multiple spatial relations among atoms. Finally, we conduct extensive experiments on two standard datasets to demonstrate the effectiveness of S-MAN.

Dongjie Wang, Pengyang Wang, Jingbo Zhou et al.

While Water Treatment Networks (WTNs) are critical infrastructures for local communities and public health, WTNs are vulnerable to cyber attacks. Effective detection of attacks can defend WTNs against discharging contaminated water, denying access, destroying equipment, and causing public fear. While there are extensive studies in WTNs attack detection, they only exploit the data characteristics partially to detect cyber attacks. After preliminary exploring the sensing data of WTNs, we find that integrating spatio-temporal knowledge, representation learning, and detection algorithms can improve attack detection accuracy. To this end, we propose a structured anomaly detection framework to defend WTNs by modeling the spatio-temporal characteristics of cyber attacks in WTNs. In particular, we propose a spatio-temporal representation framework specially tailored to cyber attacks after separating the sensing data of WTNs into a sequence of time segments. This framework has two key components. The first component is a temporal embedding module to preserve temporal patterns within a time segment by projecting the time segment of a sensor into a temporal embedding vector. We then construct Spatio-Temporal Graphs (STGs), where a node is a sensor and an attribute is the temporal embedding vector of the sensor, to describe the state of the WTNs. The second component is a spatial embedding module, which learns the final fused embedding of the WTNs from STGs. In addition, we devise an improved one class-SVM model that utilizes a new designed pairwise kernel to detect cyber attacks. The devised pairwise kernel augments the distance between normal and attack patterns in the fused embedding space. Finally, we conducted extensive experimental evaluations with real-world data to demonstrate the effectiveness of our framework.

Hao Liu, Ying Li, Yanjie Fu et al.

Public transportation plays a critical role in people's daily life. It has been proven that public transportation is more environmentally sustainable, efficient, and economical than any other forms of travel. However, due to the increasing expansion of transportation networks and more complex travel situations, people are having difficulties in efficiently finding the most preferred route from one place to another through public transportation systems. To this end, in this paper, we present Polestar, a data-driven engine for intelligent and efficient public transportation routing. Specifically, we first propose a novel Public Transportation Graph (PTG) to model public transportation system in terms of various travel costs, such as time or distance. Then, we introduce a general route search algorithm coupled with an efficient station binding method for efficient route candidate generation. After that, we propose a two-pass route candidate ranking module to capture user preferences under dynamic travel situations. Finally, experiments on two real-world data sets demonstrate the advantages of Polestar in terms of both efficiency and effectiveness. Indeed, in early 2019, Polestar has been deployed on Baidu Maps, one of the world's largest map services. To date, Polestar is servicing over 330 cities, answers over a hundred millions of queries each day, and achieves substantial improvement of user click ratio.

Weijia Zhang, Hao Liu, Yanchi Liu et al.

The ability to predict city-wide parking availability is crucial for the successful development of Parking Guidance and Information (PGI) systems. Indeed, the effective prediction of city-wide parking availability can improve parking efficiency, help urban planning, and ultimately alleviate city congestion. However, it is a non-trivial task for predicting citywide parking availability because of three major challenges: 1) the non-Euclidean spatial autocorrelation among parking lots, 2) the dynamic temporal autocorrelation inside of and between parking lots, and 3) the scarcity of information about real-time parking availability obtained from real-time sensors (e.g., camera, ultrasonic sensor, and GPS). To this end, we propose Semi-supervised Hierarchical Recurrent Graph Neural Network (SHARE) for predicting city-wide parking availability. Specifically, we first propose a hierarchical graph convolution structure to model non-Euclidean spatial autocorrelation among parking lots. Along this line, a contextual graph convolution block and a soft clustering graph convolution block are respectively proposed to capture local and global spatial dependencies between parking lots. Additionally, we adopt a recurrent neural network to incorporate dynamic temporal dependencies of parking lots. Moreover, we propose a parking availability approximation module to estimate missing real-time parking availabilities from both spatial and temporal domain. Finally, experiments on two real-world datasets demonstrate the prediction performance of SHARE outperforms seven state-of-the-art baselines.

Mengwen Xu, Tianyi Wang, Zhengwei Wu et al.

Choosing a good location when opening a new store is crucial for the future success of a business. Traditional methods include offline manual survey, which is very time consuming, and analytic models based on census data, which are un- able to adapt to the dynamic market. The rapid increase of the availability of big data from various types of mobile devices, such as online query data and offline positioning data, provides us with the possibility to develop automatic and accurate data-driven prediction models for business store placement. In this paper, we propose a Demand Distribution Driven Store Placement (D3SP) framework for business store placement by mining search query data from Baidu Maps. D3SP first detects the spatial-temporal distributions of customer demands on different business services via query data from Baidu Maps, the largest online map search engine in China, and detects the gaps between demand and sup- ply. Then we determine candidate locations via clustering such gaps. In the final stage, we solve the location optimization problem by predicting and ranking the number of customers. We not only deploy supervised regression models to predict the number of customers, but also learn to rank models to directly rank the locations. We evaluate our framework on various types of businesses in real-world cases, and the experiments results demonstrate the effectiveness of our methods. D3SP as the core function for store placement has already been implemented as a core component of our business analytics platform and could be potentially used by chain store merchants on Baidu Nuomi.