Association for the Advancement of Artificial Intelligence: AAAI Publications
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UAWTrack: Universal 3D Single Object Tracking in Adverse Weather
No full text3D single object tracking (3D SOT) in LiDAR point clouds is essential for autonomous driving. Most existing 3D SOT methods focus on clear weather, where point clouds are more defined. However, adverse weather conditions lead to sparser and noisier point clouds, significantly degrading tracking performance and posing safety risks. In this study, we introduce UAWTrack, a universal 3D SOT model designed to perform effectively across diverse real-world weather conditions. UAWTrack comprises three key modules: 1) Voxel Feature Extraction, which mitigates the perturbations in point clouds caused by adverse weather; 2) Motion-centric Spatial-temporal Aggregation and Motion-guided Feature Fusion, capturing motion clues and sampling dense BEV motion features to address the issue of sparsity; and 3) Weather-Specific Tracker, which efficiently handles tracking in various weather conditions. To fill the gap of lacking benchmarks for 3D SOT in adverse weather, we simulate physically valid adverse weather conditions on the KITTI and NuScenes datasets, creating two benchmarks: KITTI-A and NuScenes-A. Extensive experiments demonstrate that UAWTrack achieves state-of-the-art performance under all weather conditions
End-to-End Autonomous Driving Through V2X Cooperation
No full textCooperatively utilizing both ego-vehicle and infrastructure sensor data via V2X communication has emerged as a promising approach for advanced autonomous driving. However, current research mainly focuses on improving individual modules, rather than taking end-to-end learning to optimize final planning performance, resulting in underutilized data potential. In this paper, we introduce UniV2X, a pioneering cooperative autonomous driving framework that seamlessly integrates all key driving modules across diverse views into a unified network. We propose a sparse-dense hybrid data transmission and fusion mechanism for effective vehicle-infrastructure cooperation, offering three advantages: 1) Effective for simultaneously enhancing agent perception, online mapping, and occupancy prediction, ultimately improving planning performance. 2) Transmission-friendly for practical and limited communication conditions. 3) Reliable data fusion with interpretability of this hybrid data. We implement UniV2X, as well as reproducing several benchmark methods, on the challenging DAIR-V2X, the real-world cooperative driving dataset. Experimental results demonstrate the effectiveness of UniV2X in significantly enhancing planning performance, as well as all intermediate output performance
STGC-NeRF: Spatial-Temporal Geometric Consistency for LiDAR Neural Radiance Fields in Dynamic Scenes
No full textWhile Neural Radiance Fields (NeRFs) have advanced the frontiers of novel view synthesis (NVS) using LiDAR data, they still struggle in dynamic scenes. Due to the low frequency and sparsity characteristics of LiDAR point clouds, it is challenging to spontaneously learn a dynamic and consistent scene representation from posed scans. In this paper, we propose STGC-NeRF, a novel LiDAR NeRF method that combines spatial-temporal geometry consistency to enhance the reconstruction of dynamic scenes. First, we propose a temporal geometry consistency regularization to enhance the regression of time-varying scene geometries from low-frequency LiDAR sequences. By estimating the pointwise correspondences between synthetic (or real) and real frames at different times, we convert them into various forms of temporal supervision. This alleviates the inconsistency caused by moving objects in dynamic scenes. Second, to improve the reconstruction of sparse LiDAR data, we propose spatial geometric consistency constraints. By computing multiple neighborhood feature descriptors incorporating geometric and contextual information, we capture structural geometry information from sparse LiDAR data. This helps encourage consistent direction, smoothness, and detail of the local surface. Extensive experiments on the KITTI-360 and nuScenes datasets demonstrate that STGC-NeRF outperforms state-of-the-art methods in both geometry and intensity accuracy for dynamic LiDAR scene reconstruction
Scalable Surrogate Verification of Image-Based Neural Network Control Systems Using Composition and Unrolling
No full textVerifying safety of neural network control systems that use images as input is a difficult problem because, from a given system state, there is no known way to mathematically model what images are possible in the real-world. We build upon recent work that considers a surrogate verification approach, training a conditional generative adversarial network (cGAN) as an image generator in place of the real world. This setup enables set-based formal analysis of the closed-loop system, providing analysis beyond simulation and testing. While existing work is effective on small examples, excessive overapproximation both within a single control period (one-step error) and across multiple periods (multi-step error) limits its scalability. We propose approaches to overcome these errors. First, we address one-step error by composing the system's dynamics along with the cGAN and neural network controller, without losing the dependencies between input states and the control outputs as in the monotonic analysis of the system dynamics. Second, we reduce multi-step error by repeating the single-step composition, essentially unrolling multiple steps of the control loop into a large neural network. We then leverage existing network verification algorithms to compute accurate reachable sets for multiple steps, avoiding the accumulation of abstraction error at each step.We demonstrate the effectiveness of our approach in terms of both accuracy and scalability using two case studies. On the aircraft taxiing system, the converged reachable set is 175% larger using the prior baseline method compared with our proposed approach. On the emergency braking system, with 24x the number of image output variables from the cGAN, the baseline method fails to prove any states are safe, whereas our improvements enable set-based safety analysis
ReactGPT: Understanding of Chemical Reactions via In-Context Tuning
No full textThe interdisciplinary field of chemistry and artificial intelligence (AI) is an active area of research aimed at accelerating scientific discovery. Large language Models (LLMs) have shown significant promise in biochemical tasks, especially the molecule caption translation, which aims to align between molecules and natural language texts. However, existing works mainly focus on single molecules, while alignment between chemical reactions and natural language text remains largely unexplored. Additionally, the description of reactions is an essential part in biochemical patents and literature, and research on this aspect not only can help better understand chemical reactions but also promote research on automating chemical synthesis and retrosynthesis. In this work, we propose \textbf{ReactGPT}, a framework aiming to bridge the gap between chemical reaction and text. ReactGPT allows a new task: reaction captioning, by adapting LLMs to learn reaction-text alignment from context examples via In-Context Tuning. Specifically, ReactGPT jointly leverages a Fingerprints-based Reaction Retrieval module, a Domain-Specific Prompt Design module, and a two-stage In-Context Tuning module. We evaluate the effectiveness of ReactGPT on reaction captioning and experimental procedure prediction, both of these tasks can reflect the understanding of chemical reactions. Experimental results show that compared to previous models, ReactGPT exhibits competitive capabilities in resolving chemical reactions and generating high-quality text with correct structure
4D Diffusion for Dynamic Protein Structure Prediction with Reference and Motion Guidance
No full textProtein structure prediction is pivotal for understanding the structure-function relationship of proteins, advancing biological research, and facilitating pharmaceutical development and experimental design. While deep learning methods and the expanded availability of experimental 3D protein structures have accelerated structure prediction, the dynamic nature of protein structures has received limited attention. This study introduces an innovative 4D diffusion model incorporating molecular dynamics (MD) simulation data to learn dynamic protein structures. Our approach is distinguished by the following components: (1) a unified diffusion model capable of generating dynamic protein structures, including both the backbone and side chains, utilizing atomic grouping and side-chain dihedral angle predictions; (2) a reference network that enhances structural consistency by integrating the latent embeddings of the initial 3D protein structures; and (3) a motion alignment module aimed at improving temporal structural coherence across multiple time steps. To our knowledge, this is the first diffusion-based model aimed at predicting protein trajectories across multiple time steps simultaneously. Validation on benchmark datasets demonstrates that our model exhibits high accuracy in predicting dynamic 3D structures of proteins containing up to 256 amino acids over 32 time steps, effectively capturing both local flexibility in stable states and significant conformational changes
3D Denoisers Are Good 2D Teachers: Molecular Pretraining via Denoising and Cross-Modal Distillation
No full textPretraining molecular representations from large unlabeled data is essential for molecular property prediction due to the high cost of obtaining ground-truth labels. While there exist various 2D graph-based molecular pretraining approaches, these methods struggle to show statistically significant gains in predictive performance. Recent work have thus instead proposed 3D conformer-based pretraining under the task of denoising, leading to promising results. During downstream finetuning, however, models trained with 3D conformers require accurate atom-coordinates of previously unseen molecules, which are computationally expensive to acquire at scale. In this paper, we propose a simple solution of denoise-and-distill (D&D), a self-supervised molecular representation learning method that pretrains a 2D graph encoder by distilling representations from a 3D denoiser. With denoising followed by cross-modal knowledge distillation, our approach enjoys use of knowledge obtained from denoising as well as painless application to downstream tasks with no access to 3D conformers. Experiments on real-world molecular property prediction datasets show that the graph encoder trained via D&D can infer 3D information based on the 2D graph and shows superior performance and label-efficiency against previous methods
APIRL: Deep Reinforcement Learning for REST API Fuzzing
No full textREST APIs have become key components of web services. However, they often contain logic flaws resulting in server side errors or security vulnerabilities. HTTP requests are used as test cases to find and mitigate such issues. Existing methods to modify requests, including those using deep learning, suffer from limited performance and precision, relying on undirected search or making limited usage of the contextual information. In this paper we propose APIRL, a fully automated deep reinforcement learning tool for testing REST APIs. A key novelty of our approach is the use of feedback from a transformer module pre-trained on JSON-structured data, akin to that used in API responses. This allows APIRL to learn the subtleties relating to test outcomes, and generalise to unseen API endpoints. We show APIRL can find significantly more bugs than the state-of-the-art in real world REST APIs while minimising the number of required test cases. We also study how reward functions, and other key design choices, affect learnt policies with a thorough ablation study
Each Fake News Is Fake in Its Own Way: An Attribution Multi-Granularity Benchmark for Multimodal Fake News Detection
No full textSocial platforms, while facilitating access to information, have also become saturated with a plethora of fake news, resulting in negative consequences. Automatic multimodal fake news detection is a worthwhile pursuit. Existing multimodal fake news datasets only provide binary labels of real or fake. However, real news is alike, while each fake news is fake in its own way. These datasets fail to reflect the mixed nature of various types of multimodal fake news. To bridge the gap, we construct an attributing multi-granularity multimodal fake news detection dataset AMG, revealing the inherent fake pattern. Furthermore, we propose a multi-granularity clue alignment model MGCA to achieve multimodal fake news detection and attribution. Experimental results demonstrate that AMG is a challenging dataset, and its attribution setting opens up new avenues for future research
Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations
No full textMolecular representation learning is vital for various downstream applications, including the analysis and prediction of molecular properties and side effects. While Graph Neural Networks (GNNs) have been a popular framework for modeling molecular data, they often struggle to capture the full complexity of molecular representations. In this paper, we introduce a novel method called Gode, which accounts for the dual-level structure inherent in molecules. Molecules possess an intrinsic graph structure and simultaneously function as nodes within a broader molecular knowledge graph. Gode integrates individual molecular graph representations with multi-domain biochemical data from knowledge graphs. By pre-training two GNNs on different graph structures and employing contrastive learning, Gode effectively fuses molecular structures with their corresponding knowledge graph substructures. This fusion yields a more robust and informative representation, enhancing molecular property predictions by leveraging both chemical and biological information. When fine-tuned across 11 chemical property tasks, our model significantly outperforms existing benchmarks, achieving an average ROC-AUC improvement of 12.7% for classification tasks and an average RMSE/MAE improvement of 34.4% for regression tasks. Notably, Gode surpasses the current leading model in property prediction, with advancements of 2.2% in classification and 7.2% in regression tasks