AAAI 2024 论文列表

Temporal knowledge graphs represent temporal facts (s,p,o,?) relating a subject s and an object o via a relation label p at time ?, where ? could be a time point or time interval. Temporal knowledge graphs may exhibit static temporal patterns at distinct points in time and dynamic temporal patterns between different timestamps. In order to learn a rich set of static and dynamic temporal patterns and apply them for inference, several embedding approaches have been suggested in the literature. However, as most of them resort to single underlying embedding spaces, their capability to model all kinds of temporal patterns was severely limited by having to adhere to the geometric property of their one embedding space. We lift this limitation by an embedding approach that maps temporal facts into a product space of several heterogeneous geometric subspaces with distinct geometric properties, i.e.\ Complex, Dual, and Split-complex spaces. In addition, we propose a temporal-geometric attention mechanism to integrate information from different geometric subspaces conveniently according to the captured relational and temporal information. Experimental results on standard temporal benchmark datasets favorably evaluate our approach against state-of-the-art models.

Unsupervised object discovery and localization aims to detect or segment objects in an image without any supervision. Recent efforts have demonstrated a notable potential to identify salient foreground objects by utilizing self-supervised transformer features. However, their scopes only build upon patch-level features within an image, neglecting region/image-level and cross-image relationships at a broader scale. Moreover, these methods cannot differentiate various semantics from multiple instances. To address these problems, we introduce Hierarchical mErging framework via contrAstive grouPing (HEAP). Specifically, a novel lightweight head with cross-attention mechanism is designed to adaptively group intra-image patches into semantically coherent regions based on correlation among self-supervised features. Further, to ensure the distinguishability among various regions, we introduce a region-level contrastive clustering loss to pull closer similar regions across images. Also, an image-level contrastive loss is present to push foreground and background representations apart, with which foreground objects and background are accordingly discovered. HEAP facilitates efficient hierarchical image decomposition, which contributes to more accurate object discovery while also enabling differentiation among objects of various classes. Extensive experimental results on semantic segmentation retrieval, unsupervised object discovery, and saliency detection tasks demonstrate that HEAP achieves state-of-the-art performance.

Diabetes mellitus is a global concern, and early detection can prevent serious complications. 50% of those with diabetes live undiagnosed, disproportionately afflicting low-income groups. Non-invasive methods have emerged for timely detection; however, their limited accuracy constrains clinical usage. In this research, we present a novel Higher Dimensional Transformer (HDformer), the first Transformer-based architecture which utilizes long-range photoplethysmography (PPG) to detect diabetes. The long-range PPG maximizes signal contextual information when compared to the less-than 30 second signals commonly used in existing research. To increase the computational efficiency of HDformer’s long-range processing, a new attention module, Time Square Attention (TSA), is invented to achieve linear computational complexity with respect to the token volume while retaining the local/global dependencies. TSA converts the 1D inputs into 2D representations, grouping the adjacent points into a single 2D token. It then generates dynamic patches and feeds them into a gated mixture-of-experts (MoE) network, optimizing the learning on different attention areas. HDformer achieves state-of-the-art results (sensitivity 98.4, accuracy 97.3, specificity 92.8, AUC 0.929) on the standard MIMIC-III dataset, surpassing existing research. Furthermore, we develop an end-to-end solution where a low-cost wearable is prototyped to connect with the HDformer in the Cloud via a mobile app. This scalable, convenient, and affordable approach provides instantaneous detection and continuous monitoring for individuals. It aids doctors in easily screening for diabetes and safeguards underprivileged communities. The enhanced versatility of HDformer allows for efficient processing and learning of long-range signals in general one-dimensional time-series sequences, particularly for all biomedical waveforms.

Multivariate time series (MTS) prediction has been widely adopted in various scenarios. Recently, some methods have employed patching to enhance local semantics and improve model performance. However, length-fixed patch are prone to losing temporal boundary information, such as complete peaks and periods. Moreover, existing methods mainly focus on modeling long-term dependencies across patches, while paying little attention to other dimensions (e.g., short-term dependencies within patches and complex interactions among cross-variavle patches). To address these challenges, we propose a pure MLP-based HDMixer, aiming to acquire patches with richer semantic information and efficiently modeling hierarchical interactions. Specifically, we design a Length-Extendable Patcher (LEP) tailored to MTS, which enriches the boundary information of patches and alleviates semantic incoherence in series. Subsequently, we devise a Hierarchical Dependency Explorer (HDE) based on pure MLPs. This explorer effectively models short-term dependencies within patches, long-term dependencies across patches, and complex interactions among variables. Extensive experiments on 9 real-world datasets demonstrate the superiority of our approach. The code is available at https://github.com/hqh0728/HDMixer.

The main streams of human activity recognition (HAR) algorithms are developed based on RGB cameras which usually suffer from illumination, fast motion, privacy preservation, and large energy consumption. Meanwhile, the biologically inspired event cameras attracted great interest due to their unique features, such as high dynamic range, dense temporal but sparse spatial resolution, low latency, low power, etc. As it is a newly arising sensor, even there is no realistic large-scale dataset for HAR. Considering its great practical value, in this paper, we propose a large-scale benchmark dataset to bridge this gap, termed HARDVS, which contains 300 categories and more than 100K event sequences. We evaluate and report the performance of multiple popular HAR algorithms, which provide extensive baselines for future works to compare. More importantly, we propose a novel spatial-temporal feature learning and fusion framework, termed ESTF, for event stream based human activity recognition. It first projects the event streams into spatial and temporal embeddings using StemNet, then, encodes and fuses the dual-view representations using Transformer networks. Finally, the dual features are concatenated and fed into a classification head for activity prediction. Extensive experiments on multiple datasets fully validated the effectiveness of our model. Both the dataset and source code will be released at https://github.com/Event-AHU/HARDVS.

Molecular representation learning has emerged as a game-changer at the intersection of AI and chemistry, with great potential in applications such as drug design and materials discovery. A substantial obstacle in successfully applying molecular representation learning is the difficulty of effectively and completely characterizing and learning molecular geometry, which has not been well addressed to date. To overcome this challenge, we propose a novel framework that features a novel geometric graph, termed HAGO-Graph, and a specifically designed geometric graph learning model, HAGO-Net. In the framework, the foundation is HAGO-Graph, which enables a complete characterization of molecular geometry in a hierarchical manner. Specifically, we leverage the concept of n-body in physics to characterize geometric patterns at multiple spatial scales. We then specifically design a message passing scheme, HAGO-MPS, and implement the scheme as a geometric graph neural network, HAGO-Net, to effectively learn the representation of HAGO-Graph by horizontal and vertical aggregation. We further prove DHAGO-Net, the derivative function of HAGO-Net, is an equivariant model. The proposed models are validated by extensive comparisons on four challenging benchmarks. Notably, the models exhibited state-of-the-art performance in molecular chirality identification and property prediction, achieving state-of-the-art performance on five properties of QM9 dataset. The models also achieved competitive results on molecular dynamics prediction task.

Diabetic Retinopathy (DR), the leading cause of blindness in diabetic patients, is diagnosed by the condition of retinal multiple lesions. As a difficult task in medical image segmentation, DR multi-lesion segmentation faces the main concerns as follows. On the one hand, retinal lesions vary in location, shape, and size. On the other hand, because some lesions occupy only a very small part of the entire fundus image, the high proportion of background leads to difficulties in lesion segmentation. To solve the above problems, we propose a heterogeneous-aware convolutional network (HACDR-Net) that composes heterogeneous cross-convolution, heterogeneous modulated deformable convolution, and optional near-far-aware convolution. Our network introduces an adaptive aggregation module to summarize the heterogeneous feature maps and get diverse lesion areas in the heterogeneous receptive field along the channels and space. In addition, to solve the problem of the highly imbalanced proportion of focal areas, we design a new medical image segmentation loss function, Noise Adjusted Loss (NALoss). NALoss balances the predictive feature distribution of background and lesion by jointing Gaussian noise and hard example mining, thus enhancing awareness of lesions. We conduct the experiments on the public datasets IDRiD and DDR, and the experimental results show that the proposed method achieves better performance than other state-of-the-art methods. The code is open-sourced on github.com/xqh180110910537/HACDR-Net.

3D Semantic Scene Completion (SSC) has emerged as a novel task in vision-based holistic 3D scene understanding. Its objective is to densely predict the occupancy and category of each voxel in a 3D scene based on input from either LiDAR or images. Currently, many transformer-based semantic scene completion frameworks employ simple yet popular Cross-Attention and Self-Attention mechanisms to integrate and infer dense geometric and semantic information of voxels. However, they overlook the distinctions among voxels in the scene, especially in outdoor scenarios where the horizontal direction contains more variations. And voxels located at object boundaries and within the interior of objects exhibit varying levels of positional significance. To address this issue, we propose a transformer-based SSC framework called H2GFormer that incorporates a horizontal-to-global approach. This framework takes into full consideration the variations of voxels in the horizontal direction and the characteristics of voxels on object boundaries. We introduce a horizontal window-to-global attention (W2G) module that effectively fuses semantic information by first diffusing it horizontally from reliably visible voxels and then propagating the semantic understanding to global voxels, ensuring a more reliable fusion of semantic-aware features. Moreover, an Internal-External Position Awareness Loss (IoE-PALoss) is utilized during network training to emphasize the critical positions within the transition regions between objects. The experiments conducted on the SemanticKITTI dataset demonstrate that H2GFormer exhibits superior performance in both geometric and semantic completion tasks. Our code is available on https://github.com/Ryanwy1/H2GFormer.

Multi-source transfer learning is an effective solution to data scarcity by utilizing multiple source tasks for the learning of the target task. However, access to source data and model details is limited in the era of commercial models, giving rise to the setting of multi-source-free (MSF) transfer learning that aims to leverage source domain knowledge without such access. As a newly defined problem paradigm, MSF transfer learning remains largely underexplored and not clearly formulated. In this work, we adopt an information theoretic perspective on it and propose a framework named H-ensemble, which dynamically learns the optimal linear combination, or ensemble, of source models for the target task, using a generalization of maximal correlation regression. The ensemble weights are optimized by maximizing an information theoretic metric for transferability. Compared to previous works, H-ensemble is characterized by: 1) its adaptability to a novel and realistic MSF setting for few-shot target tasks, 2) theoretical reliability, 3) a lightweight structure easy to interpret and adapt. Our method is empirically validated by ablation studies, along with extensive comparative analysis with other task ensemble and transfer learning methods. We show that the H-ensemble can successfully learn the optimal task ensemble, as well as outperform prior arts.

To explain the prediction result of a Deep Neural Network (DNN) model based on a given sample, LIME [1] and its derivatives have been proposed to approximate the local behavior of the DNN model around the data point via linear surrogates. Though these algorithms interpret the DNN by finding the key features used for classification, the random interpolations used by LIME would perturb the explanation result and cause the instability and inconsistency between repetitions of LIME computations. To tackle this issue, we propose G-LIME that extends the vanilla LIME through high-dimensional Bayesian linear regression using the sparsity and informative global priors. Specifically, with a dataset representing the population of samples (e.g., the training set), G-LIME first pursues the global explanation of the DNN model using the whole dataset. Then, with a new data point, -LIME incorporates an modified estimator of ElasticNet-alike to refine the local explanation result through balancing the distance to the global explanation and the sparsity/feature selection in the explanation. Finally, G-LIME uses Least Angle Regression (LARS) and retrieves the solution path of a modified ElasticNet under varying -regularization, to screen and rank the importance of features [2] as the explanation result. Through extensive experiments on real world tasks, we show that the proposed method yields more stable, consistent, and accurate results compared to LIME.

The de novo generation of hit-like molecules that show bioactivity and drug-likeness is an important task in computer-aided drug discovery. Although artificial intelligence can generate molecules with desired chemical properties, most previous studies have ignored the influence of disease-related cellular environments. This study proposes a novel deep generative model called GxVAEs to generate hit-like molecules from gene expression profiles by leveraging two joint variational autoencoders (VAEs). The first VAE, ProfileVAE, extracts latent features from gene expression profiles. The extracted features serve as the conditions that guide the second VAE, which is called MolVAE, in generating hit-like molecules. GxVAEs bridge the gap between molecular generation and the cellular environment in a biological system, and produce molecules that are biologically meaningful in the context of specific diseases. Experiments and case studies on the generation of therapeutic molecules show that GxVAEs outperforms current state-of-the-art baselines and yield hit-like molecules with potential bioactivity and drug-like properties. We were able to successfully generate the potential molecular structures with therapeutic effects for various diseases from patients’ disease profiles.

Consumer-grade cameras capture the RAW physical description of a scene and then process the image signals to obtain high-quality RGB images that are faithful to human visual perception. Conventionally, dense prediction scenes require high-precision recognition of objects in RGB images. However, predicting RGB data to exhibit the expected adaptability and robustness in harsh environments can be challenging. By capitalizing on the broader color gamut and higher bit depth offered by RAW data, in this paper, we demonstrate that RAW data can significantly improve the accuracy and robustness of object detectors in harsh environments. Firstly, we propose a general Pipeline for RAW Detection (PRD), along with a preprocessing strategy tailored to RAW data. Secondly, we design the RAW Corruption Benchmark (RCB) to address the dearth of benchmarks that reflect realistic scenarios in harsh environments. Thirdly, we demonstrate the significant improvement of RAW images in object detection for low-light and corrupt scenes. Specifically, our experiments indicate that PRD (using FCOS) outperforms RGB detection by 13.9mAP on LOD-Snow without generating restored images. Finally, we introduce a new nonlinear method called Functional Regularization (FR), which can effectively mine the unique characteristics of RAW data. The code is available at https://github.com/DreamerCCC/RawMining.

Visual grounding, a crucial vision-language task involving the understanding of the visual context based on the query expression, necessitates the model to capture the interactions between objects, as well as various spatial and attribute information. However, the annotation data of visual grounding task is limited due to its time-consuming and labor-intensive annotation process, resulting in the trained models being constrained from generalizing its capability to a broader domain. To address this challenge, we propose GroundVLP, a simple yet effective zero-shot method that harnesses visual grounding ability from the existing models trained from image-text pairs and pure object detection data, both of which are more conveniently obtainable and offer a broader domain compared to visual grounding annotation data. GroundVLP proposes a fusion mechanism that combines the heatmap from GradCAM and the object proposals of open-vocabulary detectors. We demonstrate that the proposed method significantly outperforms other zero-shot methods on RefCOCO/+/g datasets, surpassing prior zero-shot state-of-the-art by approximately 28% on the test split of RefCOCO and RefCOCO+. Furthermore, GroundVLP performs comparably to or even better than some non-VLP-based supervised models on the Flickr30k entities dataset. Our code is available at https://github.com/om-ai-lab/GroundVLP.

Implicit neural networks have emerged as a crucial technology in 3D surface reconstruction. To reconstruct continuous surfaces from discrete point clouds, encoding the input points into regular grid features (plane or volume) has been commonly employed in existing approaches. However, these methods typically use the grid as an index for uniformly scattering point features. Compared with the irregular point features, the regular grid features may sacrifice some reconstruction details but improve efficiency. To take full advantage of these two types of features, we introduce a novel and high-efficiency attention mechanism between the grid and point features named Point-Grid Transformer (GridFormer). This mechanism treats the grid as a transfer point connecting the space and point cloud. Our method maximizes the spatial expressiveness of grid features and maintains computational efficiency. Furthermore, optimizing predictions over the entire space could potentially result in blurred boundaries. To address this issue, we further propose a boundary optimization strategy incorporating margin binary cross-entropy loss and boundary sampling. This approach enables us to achieve a more precise representation of the object structure. Our experiments validate that our method is effective and outperforms the state-of-the-art approaches under widely used benchmarks by producing more precise geometry reconstructions. The code is available at https://github.com/list17/GridFormer.

Optimizing the configuration and placement of sensors is crucial for reliable fall detection, indoor localization, and activity recognition in assisted living spaces. We propose a novel, sample-efficient approach to find a high-quality sensor placement in an arbitrary indoor space based on grey-box Bayesian optimization and simulation-based evaluation. Our key technical contribution lies in capturing domain-specific knowledge about the spatial distribution of activities and incorporating it into the iterative selection of query points in Bayesian optimization. Considering two simulated indoor environments and a real-world dataset containing human activities and sensor triggers, we show that our proposed method performs better compared to state-of-the-art black-box optimization techniques in identifying high-quality sensor placements, leading to an accurate activity recognition model in terms of F1-score, while also requiring a significantly lower (51.3% on average) number of expensive function queries.

We study an online allocation problem with sequentially arriving items and adversarially chosen agent values, with the goal of balancing fairness and efficiency. Our goal is to study the performance of algorithms that achieve strong guarantees under other input models such as stochastic inputs, in order to achieve robust guarantees against a variety of inputs. To that end, we study the PACE (Pacing According to Current Estimated utility) algorithm, an existing algorithm designed for stochastic input. We show that in the equal-budgets case, PACE is equivalent to an integral greedy algorithm. We go on to show that with natural restrictions on the adversarial input model, both the greedy allocation and PACE have asymptotically bounded multiplicative envy as well as competitive ratio for Nash welfare, with the multiplicative factors either constant or with optimal order dependence on the number of agents. This completes a "best-of-many-worlds" guarantee for PACE, since past work showed that PACE achieves guarantees for stationary and stochastic-but-non-stationary input models.

Recent advancements in motion planning for Autonomous Vehicles (AVs) show great promise in using expert driver behaviors in non-stationary driving environments. However, learning only through expert drivers needs more generalizability to recover from domain shifts and near-failure scenarios due to the dynamic behavior of traffic participants and weather conditions. A deep Graph-based Prediction and Planning Policy Network (GP3Net) framework is proposed for non-stationary environments that encodes the interactions between traffic participants with contextual information and provides a decision for safe maneuver for AV. A spatio-temporal graph models the interactions between traffic participants for predicting the future trajectories of those participants. The predicted trajectories are utilized to generate a future occupancy map around the AV with uncertainties embedded to anticipate the evolving non-stationary driving environments. Then the contextual information and future occupancy maps are input to the policy network of the GP3Net framework and trained using Proximal Policy Optimization (PPO) algorithm. The proposed GP3Net performance is evaluated on standard CARLA benchmarking scenarios with domain shifts of traffic patterns (urban, highway, and mixed). The results show that the GP3Net outperforms previous state-of-the-art imitation learning-based planning models for different towns. Further, in unseen new weather conditions, GP3Net completes the desired route with fewer traffic infractions. Finally, the results emphasize the advantage of including the prediction module to enhance safety measures in non-stationary environments.

Contrastive learning, as a self-supervised learning paradigm, becomes popular for Multivariate Time-Series (MTS) classification. It ensures the consistency across different views of unlabeled samples and then learns effective representations for these samples. Existing contrastive learning methods mainly focus on achieving temporal consistency with temporal augmentation and contrasting techniques, aiming to preserve temporal patterns against perturbations for MTS data. However, they overlook spatial consistency that requires the stability of individual sensors and their correlations. As MTS data typically originate from multiple sensors, ensuring spatial consistency becomes essential for the overall performance of contrastive learning on MTS data. Thus, we propose Graph-Aware Contrasting for spatial consistency across MTS data. Specifically, we propose graph augmentations including node and edge augmentations to preserve the stability of sensors and their correlations, followed by graph contrasting with both node- and graph-level contrasting to extract robust sensor- and global-level features. We further introduce multi-window temporal contrasting to ensure temporal consistency in the data for each sensor. Extensive experiments demonstrate that our proposed method achieves state-of-the-art performance on various MTS classification tasks. The code is available at https://github.com/Frank-Wang-oss/TS-GAC.

We introduce Graph of Thoughts (GoT): a framework that advances prompting capabilities in large language models (LLMs) beyond those offered by paradigms such as Chain-of-Thought or Tree of Thoughts (ToT). The key idea and primary advantage of GoT is the ability to model the information generated by an LLM as an arbitrary graph, where units of information ("LLM thoughts") are vertices, and edges correspond to dependencies between these vertices. This approach enables combining arbitrary LLM thoughts into synergistic outcomes, distilling the essence of whole networks of thoughts, or enhancing thoughts using feedback loops. We illustrate that GoT offers advantages over state of the art on different tasks, for example increasing the quality of sorting by 62% over ToT, while simultaneously reducing costs by >31%. We ensure that GoT is extensible with new thought transformations and thus can be used to spearhead new prompting schemes. This work brings the LLM reasoning closer to human thinking or brain mechanisms such as recurrence, both of which form complex networks