United States

Graph pooling is a crucial operation for encoding hierarchical structures within graphs. Most existing graph pooling approaches formulate the problem as a node clustering task which effectively captures the graph topology. Conventional methods ask users to specify an appropriate number of clusters as a hyperparameter, then assuming that all input graphs share the same number of clusters. In inductive settings where the number of clusters could vary, however, the model should be able to represent this variation in its pooling layers in order to learn suitable clusters. Thus we propose GMPool, a novel differentiable graph pooling architecture that automatically determines the appropriate number of clusters based on the input data. The main intuition involves a grouping matrix defined as a quadratic form of the pooling operator, which induces use of binary classification probabilities of pairwise combinations of nodes. GMPool obtains the pooling operator by first computing the grouping matrix, then decomposing it. Extensive evaluations on molecular property prediction tasks demonstrate that our method outperforms conventional methods.

AAAI 2023

Grouping Matrix based Graph Pooling with Adaptive Number of Clusters

graph-based machine learning

deep learning theory

representation learning

The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines. AAAI-23 is the Thirty-Seventh AAAI Conference on Artificial Intelligence. The theme of this conference is to create collaborative bridges within and beyond AI. Like previous AAAI conferences, AAAI-23 will feature technical paper presentations, special tracks, invited speakers, workshops, tutorials, poster sessions, senior member presentations, competitions, and exhibit programs, and two new activities: a Bridge Program and a Lab Program. Many of these activities are tailored to the theme of bridges and all are selected according to the highest standards, with additional programs for students and young researchers. 
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The purpose of the AAAI conference series is to promote research in Artificial Intelligence (AI) and foster scientific exchange between researchers, practitioners, scientists, students, and engineers across the entirety of AI and its affiliated disciplines.

poster

It is well believed that the higher uncertainty in a word of the caption, the more inter-correlated context information is required to determine it. However, current image captioning methods usually consider the generation of all words in a sentence sequentially and equally. In this paper, we propose an uncertainty-aware image captioning framework, which parallelly and iteratively operates insertion of discontinuous candidate words between existing words from easy to difficult until converged. We hypothesize that high-uncertainty words in a sentence need more prior information to make a correct decision and should be produced at a later stage. The resulting non-autoregressive hierarchy makes the caption generation explainable and intuitive. Specifically, we utilize an image-conditioned bag-of-word model to measure the word uncertainty and apply a dynamic programming algorithm to construct the training pairs. During inference, we devise an uncertainty-adaptive parallel beam search technique that yields an empirically logarithmic time complexity. Extensive experiments on the MS COCO benchmark reveal that our approach outperforms the strong baseline and related methods on both captioning quality as well as decoding speed.  

Uncertainty-Aware Image Captioning

In this work, we propose Fair-CDA, a fine-grained data augmentation strategy for imposing fairness constraints. We use a feature disentanglement method to extract the features highly related to the sensitive attributes. Then we show that group fairness can be achieved by regularizing the models on transition paths of sensitive features between groups. By adjusting the perturbation strength in the direction of the paths, our proposed augmentation is controllable and auditable. To alleviate the accuracy degradation caused by fairness constraints, we further introduce a calibrated model to impute labels for the augmented data. Our proposed method does not assume any data generative model and ensures good generalization for both accuracy and fairness. Experimental results show that Fair-CDA consistently outperforms state-of-the-art methods on widely-used benchmarks, e.g., Adult, CelebA and MovieLens. Especially, Fair-CDA obtains an 86.3% relative improvement for fairness while maintaining the accuracy on the Adult dataset. Moreover, we evaluate Fair-CDA in an online recommendation system to demonstrate the effectiveness of our method in terms of accuracy and fairness.

Fair-CDA: Continuous and Directional Augmentation for Group Fairness

Real-world applications often involve irregular time series, for which the time intervals between successive observations are non-uniform. Irregularity across multiple features in a multi-variate time series further results in a different subset of features at any given time (i.e., asynchronicity). Existing pre-training schemes for time-series, however, often assume regularity of time series and make no special treatment of irregularity. We argue that such irregularity offers insight about domain property of the data—for example, frequency of hospital visits may signal patient health condition—that can guide representation learning. In this work, we propose PrimeNet to learn a self-supervised representation for irregular multivariate time-series. Specifically, we design a time sensitive contrastive learning and data reconstruction task to pre-train a model. Irregular time-series exhibits considerable variations in sampling density over time. Hence, our triplet generation strategy follows the density of the original data points, preserving its native irregularity. Moreover, the sampling density variation over time makes data reconstruction difficult for different regions. Therefore, we design a data masking technique that always masks a constant time duration to accommodate reconstruction for regions of different sampling density. We learn with these tasks using unlabeled data to build a pre-trained model and fine-tune on a downstream task with limited labeled data, in contrast with existing fully supervised approach for irregular time-series, requiring large amounts of labeled data. Experiment results show that PrimeNet significantly outperforms state-of-the-art methods on naturally irregular and asynchronous data from Healthcare and IoT applications for several downstream tasks, including classification, interpolation, and regression.

PrimeNet: Pre-Training for Irregular Multivariate Time Series

Deep learning (DL) based methods have significantly pushed forward the state-of-the-art for image restoration (IR) task. Nevertheless, DL-based IR models are highly computation- and memory-intensive, and the surging demands for processing higher-resolution images and multi-task paralleling in practical mobile usage further add to their computation and memory burdens. In this paper, we reveal the overlooked memory redundancy of the IR models and propose a Memory-Oriented Structural Pruning (MOSP) method. In order to properly compress the long-range skip connections (a major source of the memory burden), we introduce a compactor module onto each skip connection to decouple the pruning of the skip connections and the main branch. MOSP progressively prunes the original model layers and the compactors to cut down the peak memory while maintaining high IR quality. Experiments on real image denoising show that MOSP can yield models with higher memory efficiency while better preserving IR performance compared with baseline pruning methods and hand-crafted models.

Memory-Oriented Structural Pruning for Efficient Image Restoration

Search engines are essential internet services, enabling users to efficiently find the information they need. Session search employs users’ session logs of queries to solve complex retrieval tasks, in which users search multiple times until interested documents are found. Most existing session search models focus on the contextual information within the current search, ignoring the evidence from historical search sessions. Considering the fact that many ongoing retrieval tasks should have already been carried out by other users with a similar intent, we argue that historical sessions with similar intents can help improve the accuracy of the current search task. We propose a novel Similar Session-enhanced Ranking (SSR) model to improve the session search performance using historical sessions with similar intents. Specifically, the candidate historical sessions are matched by query-level and session-level semantic similarity, and then query-level neighbor behaviors are aggregated by a Query-guided GNN (QGNN) while session-level neighbor behaviors are aggregated using the attention mechanism. Finally, we integrate the refined and aggregated historical neighbor information into the current search session. Experimental results on AOL and Tiangong-ST datasets show that our SSR model significantly outperforms the state-of-the-art models.

Learning from the Wisdom of Crowds: Exploiting Similar Sessions for Session Search

Pretraining molecular representation models without labels is fundamental to various applications. Conventional methods mainly process 2D molecular graphs and focus solely on 2D tasks, making their pretrained models incapable of characterizing 3D geometry and thus defective for downstream 3D tasks. In this work, we tackle 3D molecular pretraining in a complete and novel sense. In particular, we first propose to adopt an equivariant energy-based model as the backbone for pretraining, which enjoys the merits of fulfilling the symmetry of 3D space. Then we develop a node-level pretraining loss for force prediction, where we further exploit the Riemann-Gaussian distribution to ensure the loss to be E(3)-invariant, enabling more robustness. Moreover, a graph-level noise scale prediction task is also leveraged to further promote the eventual performance. We evaluate our model pretrained from a large-scale 3D dataset GEOM-QM9 on two challenging 3D benchmarks: MD17 and QM9. The experimental results support the better efficacy of our method against current state-of-the-art pretraining approaches, and verify the validity of our design for each proposed component. 

Energy-Motivated Equivariant Pretraining for 3D Molecular Graphs

In the expansion of biomedical dataset, the same category may be labeled with different terms, thus being tedious and onerous to curate these terms. Therefore, automatically mapping synonymous terms onto the ontologies is desirable, which we name as biomedical synonym prediction task. Unlike biomedical concept normalization (BCN), no clues from context can be used to enhance synonym prediction, making it essential to extract graph features from ontology. We introduce an expert-curated dataset OBO-syn encompassing 70 different types of concepts and 2 million curated concept-term pairs for evaluating synonym prediction methods. We find BCN methods perform weakly on this task for not making full use of graph information. Therefore, we propose GraphPrompt, a prompt-based learning approach that creates prompt templates according to the graphs. GraphPrompt obtained 37.2% and 28.5% improvement on zero-shot and few-shot settings respectively, indicating the effectiveness of these graph-based prompt templates. We envision that our method GraphPrompt and OBO-syn dataset can be broadly applied to graph-based NLP tasks, and serve as the basis for analyzing diverse and accumulating biomedical data.

GraphPrompt: Graph-based Prompt Templates For Biomedical Synonym Prediction

Accurate forecasting of tropical cyclone (TC) plays a critical role in the prevention and defense of TC disasters. We must explore a more accurate method for TC prediction. Deep learning methods are increasingly being implemented to make TC prediction more accurate. However, most existing methods lack a generic framework for adapting heterogeneous meteorological data and do not focus on the importance of the environment. Therefore, we propose a Multi-Generator Tropical Cyclone Forecasting model (MGTCF), a generic, extensible, multi-modal TC prediction model with the key modules of Generator Chooser Network (GC-Net) and Environment Net (Env-Net). The proposed method can utilize heterogeneous meteorologic data efficiently and mine environmental factors. In addition, the Multi-generator with Generator Chooser Net is proposed to tackle the drawbacks of single-generator TC prediction methods: the prediction of undesired out-of-distribution samples and the problems stemming from insufficient learning ability. To prove the effectiveness of MGTCF, we conduct extensive experiments on the China Meteorological Administration Tropical Cyclone Best Track Dataset. MGTCF obtains better performance compared with other deep learning methods and outperforms the official prediction method of the China Central Meteorological Observatory in most indexes.	

MGTCF: Multi-Generator Tropical Cyclone Forecasting with Heterogeneous Meteorological Data

Due to the flexibility and ease of control, unmanned aerial vehicles (UAVs) have been increasingly used in various scenarios and applications in recent years. Training UAVs with reinforcement learning (RL) for a specific task is often expensive in terms of time and computation. However, it is known that the main effort of the learning process is made to fit the low-level physical dynamics systems instead of the high-level task itself. 
In this paper, we study to apply UAVs in the dynamic target intercept (DTI) task, where the dynamics systems equipped by different UAV models are correspondingly distinct. To this end, we propose a dynamics and task decoupled RL architecture to address the inefficient learning procedure, where the RL module focuses on modeling the DTI task without involving physical dynamics, and the design of states, actions, and rewards are completely task-oriented while the dynamics control module can adaptively convert actions from the RL module to dynamics signals to control different UAVs without retraining the RL module. We show the efficiency and efficacy of our results in comparison and ablation experiments against state-of-the-art methods.

A Dynamics and Task Decoupled Reinforcement Learning Architecture for High-efficiency Dynamic Target Intercept

Recent interest in point cloud analysis has led rapid progress in designing deep learning methods for 3D models. However, state-of-the-art models are not robust to rotations, which remains an unknown prior to real applications and harms the model performance. In this work, we introduce a novel Patch-wise Rotation-invariant network (PaRot), which achieves rotation invariance via feature disentanglement and produces consistent predictions for samples with arbitrary rotations. Specifically, we design a siamese training module which disentangles rotation invariance and equivariance from patches defined over different scales, e.g., the local geometry and global shape, via a pair of rotations. However, our disentangled invariant feature loses the intrinsic pose information of each patch. To solve this problem, we propose a rotation-invariant geometric relation to restore the relative pose with equivariant information for patches defined over different scales. Utilising the pose information, we propose a hierarchical module which implements intra-scale and inter-scale feature aggregation for 3D shape learning. Moreover, we introduce a pose-aware feature propagation process with the rotation-invariant relative pose information embedded. Experiments show that our disentanglement module extracts high-quality rotation-robust features and the proposed lightweight model achieves competitive results in rotated 3D object classification and part segmentation tasks.

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Grouping Matrix based Graph Pooling with Adaptive Number of Clusters

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Uncertainty-Aware Image Captioning

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