Haiyang Yu

Kemou Jiang, Xuan Cai, Zhiyong Cui et al.

Large language models (LLMs) as autonomous agents offer a novel avenue for tackling real-world challenges through a knowledge-driven manner. These LLM-enhanced methodologies excel in generalization and interpretability. However, the complexity of driving tasks often necessitates the collaboration of multiple, heterogeneous agents, underscoring the need for such LLM-driven agents to engage in cooperative knowledge sharing and cognitive synergy. Despite the promise of LLMs, current applications predominantly center around single agent scenarios. To broaden the horizons of knowledge-driven strategies and bolster the generalization capabilities of autonomous agents, we propose the KoMA framework consisting of multi-agent interaction, multi-step planning, shared-memory, and ranking-based reflection modules to enhance multi-agents' decision-making in complex driving scenarios. Based on the framework's generated text descriptions of driving scenarios, the multi-agent interaction module enables LLM agents to analyze and infer the intentions of surrounding vehicles, akin to human cognition. The multi-step planning module enables LLM agents to analyze and obtain final action decisions layer by layer to ensure consistent goals for short-term action decisions. The shared memory module can accumulate collective experience to make superior decisions, and the ranking-based reflection module can evaluate and improve agent behavior with the aim of enhancing driving safety and efficiency. The KoMA framework not only enhances the robustness and adaptability of autonomous driving agents but also significantly elevates their generalization capabilities across diverse scenarios. Empirical results demonstrate the superiority of our approach over traditional methods, particularly in its ability to handle complex, unpredictable driving environments without extensive retraining.

Zhao Xu, Haiyang Yu, Montgomery Bohde et al.

Recent advancements in equivariant deep models have shown promise in accurately predicting atomic potentials and force fields in molecular dynamics simulations. Using spherical harmonics (SH) and tensor products (TP), these equivariant networks gain enhanced physical understanding, like symmetries and many-body interactions. Beyond encoding physical insights, SH and TP are also crucial to represent equivariant polynomial functions. In this work, we analyze the equivariant polynomial functions for the equivariant architecture, and introduce a novel equivariant network, named PACE. The proposed PACE utilizes edge booster and the Atomic Cluster Expansion (ACE) technique to approximate a greater number of $SE(3) \times S_n$ equivariant polynomial functions with enhanced degrees. As experimented in commonly used benchmarks, PACE demonstrates state-of-the-art performance in predicting atomic energy and force fields, with robust generalization capability across various geometric distributions under molecular dynamics (MD) across different temperature conditions. Our code is publicly available as part of the AIRS library https://github.com/divelab/AIRS/.

Weijie Yin, Yongjie Ye, Fangxun Shu et al.

We introduce SAIL-VL2, an open-suite vision-language foundation model (LVM) for comprehensive multimodal understanding and reasoning. As the successor to SAIL-VL, SAIL-VL2 achieves state-of-the-art performance at the 2B and 8B parameter scales across diverse image and video benchmarks, demonstrating strong capabilities from fine-grained perception to complex reasoning. Its effectiveness is driven by three core innovations. First, a large-scale data curation pipeline with scoring and filtering strategies enhances both quality and distribution across captioning, OCR, QA, and video data, improving training efficiency. Second, a progressive training framework begins with a powerful pre-trained vision encoder (SAIL-ViT), advances through multimodal pre-training, and culminates in a thinking-fusion SFT-RL hybrid paradigm that systematically strengthens model capabilities. Third, architectural advances extend beyond dense LLMs to efficient sparse Mixture-of-Experts (MoE) designs. With these contributions, SAIL-VL2 demonstrates competitive performance across 106 datasets and achieves state-of-the-art results on challenging reasoning benchmarks such as MMMU and MathVista. Furthermore, on the OpenCompass leaderboard, SAIL-VL2-2B ranks first among officially released open-source models under the 4B parameter scale, while serving as an efficient and extensible foundation for the open-source multimodal community.

Jacob Helwig, Xuan Zhang, Haiyang Yu et al.

Computational modeling of aerodynamics is a key problem in aerospace engineering, often involving flows interacting with solid objects such as airfoils. Deep surrogate models have emerged as purely data-driven approaches that learn direct mappings from simulation conditions to solutions based on either simulation or experimental data. Here, we consider modeling of incompressible flows over solid objects, wherein geometric structures are a key factor in determining aerodynamics. To effectively incorporate geometries, we propose a message passing scheme that efficiently and expressively integrates the airfoil shape with the mesh representation. Under this framework, we first obtain a representation of the geometry in the form of a latent graph on the airfoil surface. We subsequently propagate this representation to all collocation points through message passing on a directed, bipartite graph. We demonstrate that this framework supports efficient training by downsampling the solution mesh while avoiding distribution shifts at test time when evaluated on the full mesh. To enable our model to be able to distinguish between distinct spatial regimes of dynamics relative to the airfoil, we represent mesh points in both a leading edge and trailing edge coordinate system. We further enhance the expressiveness of our coordinate system representations by embedding our hybrid Polar-Cartesian coordinates using sinusoidal and spherical harmonics bases. We additionally find that a change of basis to canonicalize input representations with respect to inlet velocity substantially improves generalization. Altogether, these design choices lead to a purely data-driven machine learning framework known as GeoMPNN, which won the Best Student Submission award at the NeurIPS 2024 ML4CFD Competition, placing 4th overall. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Yuanhao Huang, Yilong Ren, Jinlei Wang et al.

Autonomous vehicles are typical complex intelligent systems with artificial intelligence at their core. However, perception methods based on deep learning are extremely vulnerable to adversarial samples, resulting in security accidents. How to generate effective adversarial examples in the physical world and evaluate object detection systems is a huge challenge. In this study, we propose a unified joint adversarial training framework for both 2D and 3D domains, which simultaneously optimizes texture maps in 2D image and 3D mesh spaces to better address intra-class diversity and real-world environmental variations. The framework includes a novel realistic enhanced adversarial module, with time-space and relighting mapping pipeline that adjusts illumination consistency between adversarial patches and target garments under varied viewpoints. Building upon this, we develop a realism enhancement mechanism that incorporates non-rigid deformation modeling and texture remapping to ensure alignment with the human body's non-rigid surfaces in 3D scenes. Extensive experiment results in digital and physical environments demonstrate that the adversarial textures generated by our method can effectively mislead the target detection model. Specifically, our method achieves an average attack success rate (ASR) of 70.13% on YOLOv12 in physical scenarios, significantly outperforming existing methods such as T-SEA (21.65%) and AdvTexture (19.70%). Moreover, the proposed method maintains stable ASR across multiple viewpoints and distances, with an average attack success rate exceeding 90% under both frontal and oblique views at a distance of 4 meters. This confirms the method's strong robustness and transferability under multi-angle attacks, varying lighting conditions, and real-world distances. The demo video and code can be obtained at https://github.com/Huangyh98/AdvReal.git.

Karish Grover, Haiyang Yu, Xiang Song et al.

Can integrating spectral and curvature signals unlock new potential in graph representation learning? Non-Euclidean geometries, particularly Riemannian manifolds such as hyperbolic (negative curvature) and spherical (positive curvature), offer powerful inductive biases for embedding complex graph structures like scale-free, hierarchical, and cyclic patterns. Meanwhile, spectral filtering excels at processing signal variations across graphs, making it effective in homophilic and heterophilic settings. Leveraging both can significantly enhance the learned representations. To this end, we propose Spectro-Riemannian Graph Neural Networks (CUSP) - the first graph representation learning paradigm that unifies both CUrvature (geometric) and SPectral insights. CUSP is a mixed-curvature spectral GNN that learns spectral filters to optimize node embeddings in products of constant-curvature manifolds (hyperbolic, spherical, and Euclidean). Specifically, CUSP introduces three novel components: (a) Cusp Laplacian, an extension of the traditional graph Laplacian based on Ollivier-Ricci curvature, designed to capture the curvature signals better; (b) Cusp Filtering, which employs multiple Riemannian graph filters to obtain cues from various bands in the eigenspectrum; and (c) Cusp Pooling, a hierarchical attention mechanism combined with a curvature-based positional encoding to assess the relative importance of differently curved substructures in our graph. Empirical evaluation across eight homophilic and heterophilic datasets demonstrates the superiority of CUSP in node classification and link prediction tasks, with a gain of up to 5.3% over state-of-the-art models. The code is available at: https://github.com/amazon-science/cusp.

Yuchao Lin, Cong Fu, Zachary Krueger et al.

$\rm{SO}(3)$-equivariant networks are the dominant models for machine learning interatomic potentials (MLIPs). The key operation of such networks is the Clebsch-Gordan (CG) tensor product, which is computationally expensive. To accelerate the computation, we develop tensor decomposition networks (TDNs) as a class of approximately equivariant networks in which CG tensor products are replaced by low-rank tensor decompositions, such as the CANDECOMP/PARAFAC (CP) decomposition. With the CP decomposition, we prove (i) a uniform bound on the induced error of $\rm{SO}(3)$-equivariance, and (ii) the universality of approximating any equivariant bilinear map. To further reduce the number of parameters, we propose path-weight sharing that ties all multiplicity-space weights across the $\mathcal{O}(L^3)$ CG paths into a single path without compromising equivariance, where $L$ is the maximum angular degree. The resulting layer acts as a plug-and-play replacement for tensor products in existing networks, and the computational complexity of tensor products is reduced from $\mathcal{O}(L^6)$ to $\mathcal{O}(L^4)$. We evaluate TDNs on PubChemQCR, a newly curated molecular relaxation dataset containing 105 million DFT-calculated snapshots. We also use existing datasets, including OC20, and OC22. Results show that TDNs achieve competitive performance with dramatic speedup in computations. Our code is publicly available as part of the AIRS library (\href{https://github.com/divelab/AIRS/tree/main/OpenMol/TDN}{https://github.com/divelab/AIRS/}).

Haoyu Jiang, Haiyang Yu, Nan Li et al.

Deep neural networks (DNNs) have been found vulnerable to backdoor attacks, raising security concerns about their deployment in mission-critical applications. There are various approaches to detect backdoor attacks, however they all make certain assumptions about the target attack to be detected and require equal and huge numbers of clean and backdoor samples for training, which renders these detection methods quite limiting in real-world circumstances. This study proposes a novel one-class classification framework called One-class Graph Embedding Classification (OCGEC) that uses GNNs for model-level backdoor detection with only a little amount of clean data. First, we train thousands of tiny models as raw datasets from a small number of clean datasets. Following that, we design a ingenious model-to-graph method for converting the model's structural details and weight features into graph data. We then pre-train a generative self-supervised graph autoencoder (GAE) to better learn the features of benign models in order to detect backdoor models without knowing the attack strategy. After that, we dynamically combine the GAE and one-class classifier optimization goals to form classification boundaries that distinguish backdoor models from benign models. Our OCGEC combines the powerful representation capabilities of graph neural networks with the utility of one-class classification techniques in the field of anomaly detection. In comparison to other baselines, it achieves AUC scores of more than 98% on a number of tasks, which far exceeds existing methods for detection even when they rely on a huge number of positive and negative samples. Our pioneering application of graphic scenarios for generic backdoor detection can provide new insights that can be used to improve other backdoor defense tasks. Code is available at https://github.com/jhy549/OCGEC.

Ningyu Zhang, Xin Xu, Liankuan Tao et al.

We present an open-source and extensible knowledge extraction toolkit DeepKE, supporting complicated low-resource, document-level and multimodal scenarios in the knowledge base population. DeepKE implements various information extraction tasks, including named entity recognition, relation extraction and attribute extraction. With a unified framework, DeepKE allows developers and researchers to customize datasets and models to extract information from unstructured data according to their requirements. Specifically, DeepKE not only provides various functional modules and model implementation for different tasks and scenarios but also organizes all components by consistent frameworks to maintain sufficient modularity and extensibility. We release the source code at GitHub in https://github.com/zjunlp/DeepKE with Google Colab tutorials and comprehensive documents for beginners. Besides, we present an online system in http://deepke.openkg.cn/EN/re_doc_show.html for real-time extraction of various tasks, and a demo video.

Lening Wang, Yilong Ren, Han Jiang et al.

Traffic accidents, being a significant contributor to both human casualties and property damage, have long been a focal point of research for many scholars in the field of traffic safety. However, previous studies, whether focusing on static environmental assessments or dynamic driving analyses, as well as pre-accident predictions or post-accident rule analyses, have typically been conducted in isolation. There has been a lack of an effective framework for developing a comprehensive understanding and application of traffic safety. To address this gap, this paper introduces AccidentGPT, a comprehensive accident analysis and prevention multi-modal large model. AccidentGPT establishes a multi-modal information interaction framework grounded in multi-sensor perception, thereby enabling a holistic approach to accident analysis and prevention in the field of traffic safety. Specifically, our capabilities can be categorized as follows: for autonomous driving vehicles, we provide comprehensive environmental perception and understanding to control the vehicle and avoid collisions. For human-driven vehicles, we offer proactive long-range safety warnings and blind-spot alerts while also providing safety driving recommendations and behavioral norms through human-machine dialogue and interaction. Additionally, for traffic police and management agencies, our framework supports intelligent and real-time analysis of traffic safety, encompassing pedestrian, vehicles, roads, and the environment through collaborative perception from multiple vehicles and road testing devices. The system is also capable of providing a thorough analysis of accident causes and liability after vehicle collisions. Our framework stands as the first large model to integrate comprehensive scene understanding into traffic safety studies. Project page: https://accidentgpt.github.io

Xuan Cai, Xuesong Bai, Zhiyong Cui et al.

Autonomous driving (AD) testing constitutes a critical methodology for assessing performance benchmarks prior to product deployment. The creation of segmented scenarios within a simulated environment is acknowledged as a robust and effective strategy; however, the process of tailoring these scenarios often necessitates laborious and time-consuming manual efforts, thereby hindering the development and implementation of AD technologies. In response to this challenge, we introduce Text2Scenario, a framework that leverages a Large Language Model (LLM) to autonomously generate simulation test scenarios that closely align with user specifications, derived from their natural language inputs. Specifically, an LLM, equipped with a meticulously engineered input prompt scheme functions as a text parser for test scenario descriptions, extracting from a hierarchically organized scenario repository the components that most accurately reflect the user's preferences. Subsequently, by exploiting the precedence of scenario components, the process involves sequentially matching and linking scenario representations within a Domain Specific Language corpus, ultimately fabricating executable test scenarios. The experimental results demonstrate that such prompt engineering can meticulously extract the nuanced details of scenario elements embedded within various descriptive formats, with the majority of generated scenarios aligning closely with the user's initial expectations, allowing for the efficient and precise evaluation of diverse AD stacks void of the labor-intensive need for manual scenario configuration. Project page: https://caixxuan.github.io/Text2Scenario.GitHub.io.

Lin Lin, Jiefeng Long, Zhihe Wan et al. · pku

Multimodal embedding models aim to yield informative unified representations that empower diverse cross-modal tasks. Despite promising developments in the evolution from CLIP-based dual-tower architectures to large vision-language models, prior works still face unavoidable challenges in real-world applications and business scenarios, such as the limited modality support, unstable training mechanisms, and industrial domain gaps. In this work, we introduce SAIL-Embedding, an omni-modal embedding foundation model that addresses these issues through tailored training strategies and architectural design. In the optimization procedure, we propose a multi-stage training scheme to boost the multifaceted effectiveness of representation learning. Specifically, the content-aware progressive training aims to enhance the model's adaptability to diverse downstream tasks and master enriched cross-modal proficiency. The collaboration-aware recommendation enhancement training further adapts multimodal representations for recommendation scenarios by distilling knowledge from sequence-to-item and ID-to-item embeddings while mining user historical interests. Concurrently, we develop the stochastic specialization and dataset-driven pattern matching to strengthen model training flexibility and generalizability. Experimental results show that SAIL-Embedding achieves SOTA performance compared to other methods in different retrieval tasks. In online experiments across various real-world scenarios integrated with our model, we observe a significant increase in Lifetime (LT), which is a crucial indicator for the recommendation experience. For instance, the model delivers the 7-day LT gain of +0.5% in the Douyin-Selected scenario. For the Douyin feed rank model, the match features produced by SAIL-Embedding yield a +0.1% AUC gain.

Xiaolei Ma, Enze Huo, Haiyang Yu et al.

Truck platooning refers to a series of trucks driving in close proximity via communication technologies, and it is considered one of the most implementable systems of connected and automated vehicles, bringing huge energy savings and safety improvements. Properly planning platoons and evaluating the potential of truck platooning are crucial to trucking companies and transportation authorities. This study proposes a series of data mining approaches to learn spontaneous truck platooning patterns from massive trajectories. An enhanced map matching algorithm is developed to identify truck headings by using digital map data, followed by an adaptive spatial clustering algorithm to detect instantaneous co-moving truck sets. These sets are then aggregated to find the network-wide maximum platoon duration and size through frequent itemset mining for computational efficiency. We leverage real GPS data collected from truck fleeting systems in Liaoning Province, China, to evaluate platooning performance and successfully extract spatiotemporal platooning patterns. Results show that approximately 36% spontaneous truck platoons can be coordinated by speed adjustment without changing routes and schedules. The average platooning distance and duration ratios for these platooned trucks are 9.6% and 9.9%, respectively, leading to a 2.8% reduction in total fuel consumption. We also distinguish the optimal platooning periods and space headways for national freeways and trunk roads, and prioritize the road segments with high possibilities of truck platooning. The derived results are reproducible, providing useful policy implications and operational strategies for large-scale truck platoon planning and roadside infrastructure construction.

Haiyang Yu, Zhihai Wu, Shuqin Wang et al.

Predicting large-scale transportation network traffic has become an important and challenging topic in recent decades. Inspired by the domain knowledge of motion prediction, in which the future motion of an object can be predicted based on previous scenes, we propose a network grid representation method that can retain the fine-scale structure of a transportation network. Network-wide traffic speeds are converted into a series of static images and input into a novel deep architecture, namely, spatiotemporal recurrent convolutional networks (SRCNs), for traffic forecasting. The proposed SRCNs inherit the advantages of deep convolutional neural networks (DCNNs) and long short-term memory (LSTM) neural networks. The spatial dependencies of network-wide traffic can be captured by DCNNs, and the temporal dynamics can be learned by LSTMs. An experiment on a Beijing transportation network with 278 links demonstrates that SRCNs outperform other deep learning-based algorithms in both short-term and long-term traffic prediction.