AAAI 2024 论文列表

AAAI Conference on Artificial Intelligence

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Curved Representation Space of Vision Transformers

Juyeop Kim, Junha Park, Songkuk Kim, Jong-Seok Lee

展开摘要

Neural networks with self-attention (a.k.a. Transformers) like ViT and Swin have emerged as a better alternative to traditional convolutional neural networks (CNNs). However, our understanding of how the new architecture works is still limited. In this paper, we focus on the phenomenon that Transformers show higher robustness against corruptions than CNNs, while not being overconfident. This is contrary to the intuition that robustness increases with confidence. We resolve this contradiction by empirically investigating how the output of the penultimate layer moves in the representation space as the input data moves linearly within a small area. In particular, we show the following. (1) While CNNs exhibit fairly linear relationship between the input and output movements, Transformers show nonlinear relationship for some data. For those data, the output of Transformers moves in a curved trajectory as the input moves linearly. (2) When a data is located in a curved region, it is hard to move it out of the decision region since the output moves along a curved trajectory instead of a straight line to the decision boundary, resulting in high robustness of Transformers. (3) If a data is slightly modified to jump out of the curved region, the movements afterwards become linear and the output goes to the decision boundary directly. In other words, there does exist a decision boundary near the data, which is hard to find only because of the curved representation space. This explains the underconfident prediction of Transformers. Also, we examine mathematical properties of the attention operation that induce nonlinear response to linear perturbation. Finally, we share our additional findings, regarding what contributes to the curved representation space of Transformers, and how the curvedness evolves during training.

Technical
Curvature-Invariant Adversarial Attacks for 3D Point Clouds

Jianping Zhang, Wenwei Gu, Yizhan Huang, Zhihan Jiang, Weibin Wu, Michael R. Lyu

展开摘要

Imperceptibility is one of the crucial requirements for adversarial examples. Previous adversarial attacks on 3D point cloud recognition suffer from noticeable outliers, resulting in low imperceptibility. We think that the drawbacks can be alleviated via taking the local curvature of the point cloud into consideration. Existing approaches introduce the local geometry distance into the attack objective function. However, their definition of the local geometry distance neglects different perceptibility of distortions along different directions. In this paper, we aim to enhance the imperceptibility of adversarial attacks on 3D point cloud recognition by better preserving the local curvature of the original 3D point clouds. To this end, we propose the Curvature-Invariant Method (CIM), which directly regularizes the back-propagated gradient during the generation of adversarial point clouds based on two assumptions. Specifically, we first decompose the back-propagated gradients into the tangent plane and the normal direction. Then we directly reduce the gradient along the large curvature direction on the tangent plane and only keep the gradient along the negative normal direction. Comprehensive experimental comparisons confirm the superiority of our approach. Notably, our strategy can achieve 7.2% and 14.5% improvements in Hausdorff distance and Gaussian curvature measurements of the imperceptibility.

Technical
Curriculum-Enhanced Residual Soft An-Isotropic Normalization for Over-Smoothness in Deep GNNs

Jin Li, Qirong Zhang, Shuling Xu, Xinlong Chen, Longkun Guo, Yang-Geng Fu

展开摘要

Despite Graph neural networks' significant performance gain over many classic techniques in various graph-related downstream tasks, their successes are restricted in shallow models due to over-smoothness and the difficulties of optimizations among many other issues. In this paper, to alleviate the over-smoothing issue, we propose a soft graph normalization method to preserve the diversities of node embeddings and prevent indiscrimination due to possible over-closeness. Combined with residual connections, we analyze the reason why the method can effectively capture the knowledge in both input graph structures and node features even with deep networks. Additionally, inspired by Curriculum Learning that learns easy examples before the hard ones, we propose a novel label-smoothing-based learning framework to enhance the optimization of deep GNNs, which iteratively smooths labels in an auxiliary graph and constructs many gradual non-smooth tasks for extracting increasingly complex knowledge and gradually discriminating nodes from coarse to fine. The method arguably reduces the risk of overfitting and generalizes better results. Finally, extensive experiments are carried out to demonstrate the effectiveness and potential of the proposed model and learning framework through comparison with twelve existing baselines including the state-of-the-art methods on twelve real-world node classification benchmarks.

Technical
Cumulative Regret Analysis of the Piyavskii–Shubert Algorithm and Its Variants for Global Optimization

Kaan Gokcesu, Hakan Gökcesu

展开摘要

We study the problem of global optimization, where we analyze the performance of the Piyavskii--Shubert algorithm and its variants. For any given time duration T, instead of the extensively studied simple regret (which is the difference of the losses between the best estimate up to T and the global minimum), we study the cumulative regret up to time T. For L-Lipschitz continuous functions, we show that the cumulative regret is O(L logT). For H-Lipschitz smooth functions, we show that the cumulative regret is O(H). We analytically extend our results for functions with Hölder continuous derivatives, which cover both the Lipschitz continuous and the Lipschitz smooth functions, individually. We further show that a simpler variant of the Piyavskii-Shubert algorithm performs just as well as the traditional variants for the Lipschitz continuous or the Lipschitz smooth functions. We further extend our results to broader classes of functions, and show that, our algorithm efficiently determines its queries; and achieves nearly minimax optimal (up to log factors) cumulative regret, for general convex or even concave regularity conditions on the extrema of the objective (which encompasses many preceding regularities). We consider further extensions by investigating the performance of the Piyavskii-Shubert variants in the scenarios with unknown regularity, noisy evaluation and multivariate domain.

Technical
Cumulative Difference Learning VAE for Time-Series with Temporally Correlated Inflow-Outflow

Tianchun Li, Chengxiang Wu, Pengyi Shi, Xiaoqian Wang

展开摘要

Time-series generation has crucial practical significance for decision-making under uncertainty. Existing methods have various limitations like accumulating errors over time, significantly impacting downstream tasks. We develop a novel generation method, DT-VAE, that incorporates generalizable domain knowledge, is mathematically justified, and significantly outperforms existing methods by mitigating error accumulation through a cumulative difference learning mechanism. We evaluate the performance of DT-VAE on several downstream tasks using both semi-synthetic and real time-series datasets, including benchmark datasets and our newly curated COVID-19 hospitalization datasets. The COVID-19 datasets enrich existing resources for time-series analysis. Additionally, we introduce Diverse Trend Preserving (DTP), a time-series clustering-based evaluation for direct and interpretable assessments of generated samples, serving as a valuable tool for evaluating time-series generative models.

Technical
CrystalBox: Future-Based Explanations for Input-Driven Deep RL Systems

Sagar Patel, Sangeetha Abdu Jyothi, Nina Narodytska

展开摘要

We present CrystalBox, a novel, model-agnostic, posthoc explainability framework for Deep Reinforcement Learning (DRL) controllers in the large family of input-driven environments which includes computer systems. We combine the natural decomposability of reward functions in input-driven environments with the explanatory power of decomposed returns. We propose an efficient algorithm to generate future-based explanations across both discrete and continuous control environments. Using applications such as adaptive bitrate streaming and congestion control, we demonstrate CrystalBox's capability to generate high-fidelity explanations. We further illustrate its higher utility across three practical use cases: contrastive explanations, network observability, and guided reward design, as opposed to prior explainability techniques that identify salient features.

Technical
CrossBind: Collaborative Cross-Modal Identification of Protein Nucleic-Acid-Binding Residues

Linglin Jing, Sheng Xu, Yifan Wang, Yuzhe Zhou, Tao Shen, Zhigang Ji, Hui Fang, Zhen Li, Siqi Sun

展开摘要

Accurate identification of protein nucleic acid binding residues poses a significant challenge with important implications for various biological processes and drug design. Many typical computational methods for protein analysis rely on a single model that could ignore either the semantic context of the protein or the global 3D geometric information. Consequently, these approaches may result in incomplete or inaccurate protein analysis. To address the above issue, in this paper, we present CrossBind, a novel collaborative cross modal approach for identifying binding residues by exploiting both protein geometric structure and its sequence prior knowledge extracted from a large scale protein language model. Specifically, our multi modal approach leverages a contrastive learning technique and atom wise attention to capture the positional relationships between atoms and residues, thereby incorporating fine grained local geometric knowledge, for better binding residue prediction. Extensive experimental results demonstrate that our approach outperforms the next best state of the art methods, GraphSite and GraphBind, on DNA and RNA datasets by 10.8/17.3% in terms of the harmonic mean of precision and recall (F1 Score) and 11.9/24.8% in Matthews correlation coefficient (MCC), respectively. We release the code at https://github.com/BEAM-Labs/CrossBind.

Technical
Cross-Sentence Gloss Consistency for Continuous Sign Language Recognition

Qi Rao, Ke Sun, Xiaohan Wang, Qi Wang, Bang Zhang

展开摘要

Continuous sign language recognition (CSLR) aims to recognize gloss sequences from continuous sign videos. Recent works enhance the gloss representation consistency by mining correlations between visual and contextual modules within individual sentences. However, there still remain much richer correlations among glosses across different sentences. In this paper, we present a simple yet effective Cross-Sentence Gloss Consistency (CSGC), which enforces glosses belonging to a same category to be more consistent in representation than those belonging to different categories, across all training sentences. Specifically, in CSGC, a prototype is maintained for each gloss category and benefits the gloss discrimination in a contrastive way. Thanks to the well-distinguished gloss prototype, an auxiliary similarity classifier is devised to enhance the recognition clues, thus yielding more accurate results. Extensive experiments conducted on three CSLR datasets show that our proposed CSGC significantly boosts the performance of CSLR, surpassing existing state-of-the-art works by large margins (i.e., 1.6% on PHOENIX14, 2.4% on PHOENIX14-T, and 5.7% on CSL-Daily).

Technical
Cross-Modal and Uni-Modal Soft-Label Alignment for Image-Text Retrieval

Hailang Huang, Zhijie Nie, Ziqiao Wang, Ziyu Shang

展开摘要

Current image-text retrieval methods have demonstrated impressive performance in recent years. However, they still face two problems: the inter-modal matching missing problem and the intra-modal semantic loss problem. These problems can significantly affect the accuracy of image-text retrieval. To address these challenges, we propose a novel method called Cross-modal and Uni-modal Soft-label Alignment (CUSA). Our method leverages the power of uni-modal pre-trained models to provide soft-label supervision signals for the image-text retrieval model. Additionally, we introduce two alignment techniques, Cross-modal Soft-label Alignment (CSA) and Uni-modal Soft-label Alignment (USA), to overcome false negatives and enhance similarity recognition between uni-modal samples. Our method is designed to be plug-and-play, meaning it can be easily applied to existing image-text retrieval models without changing their original architectures. Extensive experiments on various image-text retrieval models and datasets, we demonstrate that our method can consistently improve the performance of image-text retrieval and achieve new state-of-the-art results. Furthermore, our method can also boost the uni-modal retrieval performance of image-text retrieval models, enabling it to achieve universal retrieval. The code and supplementary files can be found at https://github.com/lerogo/aaai24_itr_cusa.

Technical
Cross-Modal Match for Language Conditioned 3D Object Grounding

Yachao Zhang, Runze Hu, Ronghui Li, Yanyun Qu, Yuan Xie, Xiu Li

展开摘要

Language conditioned 3D object grounding aims to find the object within the 3D scene mentioned by natural language descriptions, which mainly depends on the matching between visual and natural language. Considerable improvement in grounding performance is achieved by improving the multimodal fusion mechanism or bridging the gap between detection and matching. However, several mismatches are ignored, i.e., mismatch in local visual representation and global sentence representation, and mismatch in visual space and corresponding label word space. In this paper, we propose crossmodal match for 3D grounding from mitigating these mismatches perspective. Specifically, to match local visual features with the global description sentence, we propose BEV (Bird’s-eye-view) based global information embedding module. It projects multiple object proposal features into the BEV and the relations of different objects are accessed by the visual transformer which can model both positions and features with long-range dependencies. To circumvent the mismatch in feature spaces of different modalities, we propose crossmodal consistency learning. It performs cross-modal consistency constraints to convert the visual feature space into the label word feature space resulting in easier matching. Besides, we introduce label distillation loss and global distillation loss to drive these matches learning in a distillation way. We evaluate our method in mainstream evaluation settings on three datasets, and the results demonstrate the effectiveness of the proposed method.

Technical
Cross-Modal Feature Distribution Calibration for Few-Shot Visual Question Answering

Jing Zhang, Xiaoqiang Liu, Mingzhe Chen, Zhe Wang

展开摘要

Few-shot Visual Question Answering (VQA) realizes few-shot cross-modal learning, which is an emerging and challenging task in computer vision. Currently, most of the few-shot VQA methods are confined to simply extending few-shot classification methods to cross-modal tasks while ignoring the spatial distribution properties of multimodal features and cross-modal information interaction. To address this problem, we propose a novel Cross-modal feature Distribution Calibration Inference Network (CDCIN) in this paper, where a new concept named visual information entropy is proposed to realize multimodal features distribution calibration by cross-modal information interaction for more effective few-shot VQA. Visual information entropy is a statistical variable that represents the spatial distribution of visual features guided by the question, which is aligned before and after the reasoning process to mitigate redundant information and improve multi-modal features by our proposed visual information entropy calibration module. To further enhance the inference ability of cross-modal features, we additionally propose a novel pre-training method, where the reasoning sub-network of CDCIN is pretrained on the base class in a VQA classification paradigm and fine-tuned on the few-shot VQA datasets. Extensive experiments demonstrate that our proposed CDCIN achieves excellent performance on few-shot VQA and outperforms state-of-the-art methods on three widely used benchmark datasets.

Technical
Cross-Layer and Cross-Sample Feature Optimization Network for Few-Shot Fine-Grained Image Classification

Zhen-Xiang Ma, Zhen-Duo Chen, Li-Jun Zhao, Zi-Chao Zhang, Xin Luo, Xin-Shun Xu

展开摘要

Recently, a number of Few-Shot Fine-Grained Image Classification (FS-FGIC) methods have been proposed, but they primarily focus on better fine-grained feature extraction while overlooking two important issues. The first one is how to extract discriminative features for Fine-Grained Image Classification tasks while reducing trivial and non-generalizable sample level noise introduced in this procedure, to overcome the over-fitting problem under the setting of Few-Shot Learning. The second one is how to achieve satisfying feature matching between limited support and query samples with variable spatial positions and angles. To address these issues, we propose a novel Cross-layer and Cross-sample feature optimization Network for FS-FGIC, C2-Net for short. The proposed method consists of two main modules: Cross-Layer Feature Refinement (CLFR) module and Cross-Sample Feature Adjustment (CSFA) module. The CLFR module further refines the extracted features while integrating outputs from multiple layers to suppress sample-level feature noise interference. Additionally, the CSFA module addresses the feature mismatch between query and support samples through both channel activation and position matching operations. Extensive experiments have been conducted on five fine-grained benchmark datasets, and the results show that the C2-Net outperforms other state-of-the-art methods by a significant margin in most cases. Our code is available at: https://github.com/zenith0923/C2-Net.

Technical
Cross-Gate MLP with Protein Complex Invariant Embedding Is a One-Shot Antibody Designer

Cheng Tan, Zhangyang Gao, Lirong Wu, Jun Xia, Jiangbin Zheng, Xihong Yang, Yue Liu, Bozhen Hu, Stan Z. Li

展开摘要

Antibodies are crucial proteins produced by the immune system in response to foreign substances or antigens. The specificity of an antibody is determined by its complementarity-determining regions (CDRs), which are located in the variable domains of the antibody chains and form the antigen-binding site. Previous studies have utilized complex techniques to generate CDRs, but they suffer from inadequate geometric modeling. Moreover, the common iterative refinement strategies lead to an inefficient inference. In this paper, we propose a simple yet effective model that can co-design 1D sequences and 3D structures of CDRs in a one-shot manner. To achieve this, we decouple the antibody CDR design problem into two stages: (i) geometric modeling of protein complex structures and (ii) sequence-structure co-learning. We develop a novel macromolecular structure invariant embedding, typically for protein complexes, that captures both intra- and inter-component interactions among the backbone atoms, including Calpha, N, C, and O atoms, to achieve comprehensive geometric modeling. Then, we introduce a simple cross-gate MLP for sequence-structure co-learning, allowing sequence and structure representations to implicitly refine each other. This enables our model to design desired sequences and structures in a one-shot manner. Extensive experiments are conducted to evaluate our results at both the sequence and structure level, which demonstrate that our model achieves superior performance compared to the state-of-the-art antibody CDR design methods.

Technical
Cross-Domain Contrastive Learning for Time Series Clustering

Furong Peng, Jiachen Luo, Xuan Lu, Sheng Wang, Feijiang Li

展开摘要

Most deep learning-based time series clustering models concentrate on data representation in a separate process from clustering. This leads to that clustering loss cannot guide feature extraction. Moreover, most methods solely analyze data from the temporal domain, disregarding the potential within the frequency domain. To address these challenges, we introduce a novel end-to-end Cross-Domain Contrastive learning model for time series Clustering (CDCC). Firstly, it integrates the clustering process and feature extraction using contrastive constraints at both cluster-level and instance-level. Secondly, the data is encoded simultaneously in both temporal and frequency domains, leveraging contrastive learning to enhance within-domain representation. Thirdly, cross-domain constraints are proposed to align the latent representations and category distribution across domains. With the above strategies, CDCC not only achieves end-to-end output but also effectively integrates frequency domains. Extensive experiments and visualization analysis are conducted on 40 time series datasets from UCR, demonstrating the superior performance of the proposed model.

Technical
Cross-Covariate Gait Recognition: A Benchmark

Shinan Zou, Chao Fan, Jianbo Xiong, Chuanfu Shen, Shiqi Yu, Jin Tang

展开摘要

Gait datasets are essential for gait research. However, this paper observes that present benchmarks, whether conventional constrained or emerging real-world datasets, fall short regarding covariate diversity. To bridge this gap, we undertake an arduous 20-month effort to collect a cross-covariate gait recognition (CCGR) dataset. The CCGR dataset has 970 subjects and about 1.6 million sequences; almost every subject has 33 views and 53 different covariates. Compared to existing datasets, CCGR has both population and individual-level diversity. In addition, the views and covariates are well labeled, enabling the analysis of the effects of different factors. CCGR provides multiple types of gait data, including RGB, parsing, silhouette, and pose, offering researchers a comprehensive resource for exploration. In order to delve deeper into addressing cross-covariate gait recognition, we propose parsing-based gait recognition (ParsingGait) by utilizing the newly proposed parsing data. We have conducted extensive experiments. Our main results show: 1) Cross-covariate emerges as a pivotal challenge for practical applications of gait recognition. 2) ParsingGait demonstrates remarkable potential for further advancement. 3) Alarmingly, existing SOTA methods achieve less than 43% accuracy on the CCGR, highlighting the urgency of exploring cross-covariate gait recognition. Link: https://github.com/ShinanZou/CCGR.

Technical
Cross-Constrained Progressive Inference for 3D Hand Pose Estimation with Dynamic Observer-Decision-Adjuster Networks

Zhehan Kan, Xueting Hu, Zihan Liao, Ke Yu, Zhihai He

展开摘要

Generalization is very important for pose estimation, especially for 3D pose estimation where small changes in the 2D images could trigger structural changes in the 3D space. To achieve generalization, the system needs to have the capability of detecting estimation errors by double-checking the projection coherence between the 3D and 2D spaces and adapting its network inference process based on this feedback. Current pose estimation is one-time feed-forward and lacks the capability to gather feedback and adapt the inference outcome. To address this problem, we propose to explore the concept of progressive inference where the network learns an observer to continuously detect the prediction error based on constraints matching, as well as an adjuster to refine its inference outcome based on these constraints errors. Within the context of 3D hand pose estimation, we find that this observer-adjuster design is relatively unstable since the observer is operating in the 2D image domain while the adjuster is operating in the 3D domain. To address this issue, we propose to construct two sets of observers-adjusters with complementary constraints from different perspectives. They operate in a dynamic sequential manner controlled by a decision network to progressively improve the 3D pose estimation. We refer to this method as Cross-Constrained Progressive Inference (CCPI). Our extensive experimental results on FreiHAND and HO-3D benchmark datasets demonstrate that the proposed CCPI method is able to significantly improve the generalization capability and performance of 3D hand pose estimation.

Technical
Cross-Class Feature Augmentation for Class Incremental Learning

Taehoon Kim, JaeYoo Park, Bohyung Han

展开摘要

We propose a novel class incremental learning approach, which incorporates a feature augmentation technique motivated by adversarial attacks. We employ a classifier learned in the past to complement training examples of previous tasks. The proposed approach has an unique perspective to utilize the previous knowledge in class incremental learning since it augments features of arbitrary target classes using examples in other classes via adversarial attacks on a previously learned classifier. By allowing the Cross-Class Feature Augmentations (CCFA), each class in the old tasks conveniently populates samples in the feature space, which alleviates the collapse of the decision boundaries caused by sample deficiency for the previous tasks, especially when the number of stored exemplars is small. This idea can be easily incorporated into existing class incremental learning algorithms without any architecture modification. Extensive experiments on the standard benchmarks show that our method consistently outperforms existing class incremental learning methods by significant margins in various scenarios, especially under an environment with an extremely limited memory budget.

Technical
Critic-Guided Decision Transformer for Offline Reinforcement Learning

Yuanfu Wang, Chao Yang, Ying Wen, Yu Liu, Yu Qiao

展开摘要

Recent advancements in offline reinforcement learning (RL) have underscored the capabilities of Return-Conditioned Supervised Learning (RCSL), a paradigm that learns the action distribution based on target returns for each state in a supervised manner. However, prevailing RCSL methods largely focus on deterministic trajectory modeling, disregarding stochastic state transitions and the diversity of future trajectory distributions. A fundamental challenge arises from the inconsistency between the sampled returns within individual trajectories and the expected returns across multiple trajectories. Fortunately, value-based methods offer a solution by leveraging a value function to approximate the expected returns, thereby addressing the inconsistency effectively. Building upon these insights, we propose a novel approach, termed the Critic-Guided Decision Transformer (CGDT), which combines the predictability of long-term returns from value-based methods with the trajectory modeling capability of the Decision Transformer. By incorporating a learned value function, known as the critic, CGDT ensures a direct alignment between the specified target returns and the expected returns of actions. This integration bridges the gap between the deterministic nature of RCSL and the probabilistic characteristics of value-based methods. Empirical evaluations on stochastic environments and D4RL benchmark datasets demonstrate the superiority of CGDT over traditional RCSL methods. These results highlight the potential of CGDT to advance the state of the art in offline RL and extend the applicability of RCSL to a wide range of RL tasks.

Technical
Coverage-Guaranteed Prediction Sets for Out-of-Distribution Data

Xin Zou, Weiwei Liu

展开摘要

Out-of-distribution (OOD) generalization has attracted increasing research attention in recent years, due to its promising experimental results in real-world applications. In this paper, we study the confidence set prediction problem in the OOD generalization setting. Split conformal prediction (SCP) is an efficient framework for handling the confidence set prediction problem. However, the validity of SCP requires the examples to be exchangeable, which is violated in the OOD setting. Empirically, we show that trivially applying SCP results in a failure to maintain the marginal coverage when the unseen target domain is different from the source domain. To address this issue, we develop a method for forming confident prediction sets in the OOD setting and theoretically prove the validity of our method. Finally, we conduct experiments on simulated data to empirically verify the correctness of our theory and the validity of our proposed method.

Technical
Coupling Graph Neural Networks with Fractional Order Continuous Dynamics: A Robustness Study

Qiyu Kang, Kai Zhao, Yang Song, Yihang Xie, Yanan Zhao, Sijie Wang, Rui She, Wee Peng Tay

展开摘要

In this work, we rigorously investigate the robustness of graph neural fractional-order differential equation (FDE) models. This framework extends beyond traditional graph neural (integer-order) ordinary differential equation (ODE) models by implementing the time-fractional Caputo derivative. Utilizing fractional calculus allows our model to consider long-term memory during the feature updating process, diverging from the memoryless Markovian updates seen in traditional graph neural ODE models. The superiority of graph neural FDE models over graph neural ODE models has been established in environments free from attacks or perturbations. While traditional graph neural ODE models have been verified to possess a degree of stability and resilience in the presence of adversarial attacks in existing literature, the robustness of graph neural FDE models, especially under adversarial conditions, remains largely unexplored. This paper undertakes a detailed assessment of the robustness of graph neural FDE models. We establish a theoretical foundation outlining the robustness characteristics of graph neural FDE models, highlighting that they maintain more stringent output perturbation bounds in the face of input and graph topology disturbances, compared to their integer-order counterparts. Our empirical evaluations further confirm the enhanced robustness of graph neural FDE models, highlighting their potential in adversarially robust applications.

Technical