AAAI 2025 论文列表

The primary objective of Optical Chemical Structure Recognition is to identify chemical structure images into corresponding markup sequences. However, the complex two-dimensional structures of molecules, particularly those with rings and multiple branches, present significant challenges for current end-to-end methods to learn one-dimensional markup directly. To overcome this limitation, we propose a novel Ring-Free Language (RFL), which utilizes a divide-and-conquer strategy to describe chemical structures in a hierarchical form. RFL allows complex molecular structures to be decomposed into multiple parts, ensuring both uniqueness and conciseness while enhancing readability. This approach significantly reduces the learning difficulty for recognition models. Leveraging RFL, we propose a universal Molecular Skeleton Decoder (MSD), which comprises a skeleton generation module that progressively predicts the molecular skeleton and individual rings, along with a branch classification module for predicting branch information. Experimental results demonstrate that the proposed RFL and MSD can be applied to various mainstream methods, achieving superior performance compared to state-of-the-art approaches in both printed and handwritten scenarios.

We address the challenge of multi-agent cooperation, where agents achieve a common goal by cooperating with decentralized agents under complex partial observations. Existing cooperative agent systems often struggle with efficiently processing continuously accumulating information, managing globally suboptimal planning due to lack of consideration of collaborators, and addressing false planning caused by environmental changes introduced by other collaborators. To overcome these challenges, we propose the RElevance, Proximity, and Validation-Enhanced Cooperative Language Agent (REVECA), a novel cognitive architecture powered by GPT-4o-mini. REVECA enables efficient memory management, optimal planning, and cost-effective prevention of false planning by leveraging Relevance Estimation, Adaptive Planning, and Trajectory-based Validation. Extensive experimental results demonstrate REVECA's superiority over existing methods across various benchmarks, while a user study reveals its potential for achieving trustworthy human-AI cooperation.

The real estate market relies heavily on structured data, such as property details, market trends, and price fluctuations. However, the lack of specialized Tabular Question Answering datasets in this domain limits the development of automated question-answering systems. To fill this gap, we introduce RETQA, the first large-scale open-domain Chinese Tabular Question Answering dataset for Real Estate. RETQA comprises 4,932 tables and 20,762 question-answer pairs across 16 sub-fields within three major domains: property information, real estate company finance information and land auction information. Compared with existing tabular question answering datasets, RETQA poses greater challenges due to three key factors: long-table structures, open-domain retrieval, and multi-domain queries. To tackle these challenges, we propose the SLUTQA framework, which integrates large language models with spoken language understanding tasks to enhance retrieval and answering accuracy. Extensive experiments demonstrate that SLUTQA significantly improves the performance of large language models on RETQA by in-context learning. RETQA and SLUTQA provide essential resources for advancing tabular question answering research in the real estate domain, addressing critical challenges in open-domain and long-table question-answering.

As a strategy for sustainability of deep learning, reusing an existing model by retraining it rather than training a new model from scratch is critical. In this paper, we propose REpresentation Shift QUantifying Estimator (RESQUE), a predictive quantifier to estimate the retraining cost of a model to distributional shifts or change of tasks. It provides a single concise index for an estimate of resources required for retraining the model. Through extensive experiments, we show that RESQUE has a strong correlation with various retraining measures. Our results validate that RESQUE is an effective indicator in terms of epochs, gradient norms, changes of parameter magnitude, energy, and carbon emissions. The measures align well with RESQUE for new tasks, multiple noise types, and varying noise intensities. As a result, RESQUE enables users to make informed decisions for retraining to different tasks/distribution shifts and determine the most cost-effective and sustainable option, allowing for the reuse of a model with a much smaller footprint in the environment.

Incorporating uncertainty is crucial to provide trustworthy explanations of deep learning models. Recent works have demonstrated how uncertainty modeling can be particularly important in the unsupervised field of representation learning explainable artificial intelligence (R-XAI). Current R-XAI methods provide uncertainty by measuring variability in the importance score. However, they fail to provide meaningful estimates of whether a pixel is certainly important or not. In this work, we propose a new R-XAI method called REPEAT that addresses the key question of whether or not a pixel is certainly important. REPEAT leverages the stochasticity of current R-XAI methods to produce multiple estimates of importance, thus considering each pixel in an image as a Bernoulli random variable that is either important or unimportant. From these Bernoulli random variables we can directly estimate the importance of a pixel and its associated certainty, thus enabling users to determine certainty in pixel importance. Our extensive evaluation shows that REPEAT gives certainty estimates that are more intuitive, better at detecting out-of-distribution data, and more concise.

In social online platforms, identifying influential seed users to maximize influence spread is a crucial as it can greatly diminish the cost and efforts required for information dissemination. While effective, traditional methods for Multiplex Influence Maximization (MIM) have reached their performance limits, prompting the emergence of learning-based approaches. These novel methods aim for better generalization and scalability for more sizable graphs but face significant challenges, such as (1) inability to handle unknown diffusion patterns and (2) reliance on high-quality training samples. To address these issues, we propose the Reinforced Expert Maximization framework (REM). REM leverages a Propagation Mixture of Experts technique to encode dynamic propagation of large multiplex networks effectively in order to generate enhanced influence propagation. Noticeably, REM treats a generative model as a policy to autonomously generate different seed sets and learn how to improve them from a Reinforcement Learning perspective. Extensive experiments on several real-world datasets demonstrate that REM surpasses state-of-the-art methods in terms of influence spread, scalability, and inference time in influence maximization tasks.

Image-goal navigation aims to steer an agent towards the goal location specified by an image. Most prior methods tackle this task by learning a navigation policy, which extracts visual features of goal and observation images, compares their similarity and predicts actions. However, if the agent is in a different room from the goal image, it's extremely challenging to identify their similarity and infer the likely goal location, which may result in the agent wandering around. Intuitively, when humans carry out this task, they may roughly compare the current observation with the goal image, having an approximate concept of whether they are in the same room before executing the actions. Inspired by this intuition, we try to imitate human behaviour and propose a Room Expert Guided Image-Goal Navigation model~(REGNav) to equip the agent with the ability to analyze whether goal and observation images are taken in the same room. Specifically, we first pre-train a room expert with an unsupervised learning technique on the self-collected unlabelled room images. The expert can extract the hidden room style information of goal and observation images and predict their relationship about whether they belong to the same room. In addition, two different fusion approaches are explored to efficiently guide the agent navigation with the room relation knowledge. Extensive experiments show that our REGNav surpasses prior state-of-the-art works on three popular benchmarks.

Spatiotemporal data imputation plays a crucial role in various fields such as traffic flow monitoring, air quality assessment, and climate prediction. However, spatiotemporal data collected by sensors often suffer from temporal incompleteness, and the sparse and uneven distribution of sensors leads to missing data in the spatial dimension. Among existing methods, autoregressive approaches are prone to error accumulation, while simple conditional diffusion models fail to adequately capture the spatiotemporal relationships between observed and missing data. To address these issues, we propose a novel two-stage Refined Diffusion Probability Impuation (RDPI) framework based on an initial network and a conditional diffusion model. In the initial stage, deterministic imputation methods are used to generate preliminary estimates of the missing data. In the refinement stage, residuals are treated as the diffusion target, and observed values are innovatively incorporated into the forward process. This results in a conditional diffusion model better suited for spatiotemporal data imputation, bridging the gap between the preliminary estimates and the true values. Experiments on multiple datasets demonstrate that RDPI not only achieves state-of-the-art imputation performance but also significantly reduces sampling computational costs.

In radar-camera 3D object detection, the radar point clouds are sparse and noisy, which causes difficulties in fusing camera and radar modalities. To solve this, we introduce a novel query-based detection method named Radar-Camera Transformer (RCTrans). Specifically, we first design a Radar Dense Encoder to enrich the sparse valid radar tokens, and then concatenate them with the image tokens. By doing this, we can fully explore the 3D information of each interest region and reduce the interference of empty tokens during the fusing stage. We then design a Pruning Sequential Decoder to predict 3D boxes based on the obtained tokens and random initialized queries. To alleviate the effect of elevation ambiguity in radar point clouds, we gradually locate the position of the object via a sequential fusion structure. It helps to get more precise and flexible correspondences between tokens and queries. A pruning training strategy is adopted in the decoder, which can save much time during inference and inhibit queries from losing their distinctiveness. Extensive experiments on the large-scale nuScenes dataset prove the superiority of our method, and we also achieve new state-of-the-art radar-camera 3D detection results.

Despite the widespread use of LLMs due to their superior performance in various tasks, their high computational costs often lead potential users to opt for the pretraining-finetuning pipeline. However, biases prevalent in manually constructed datasets can introduce spurious correlations between tokens and labels, creating so-called shortcuts and hindering the generalizability of fine-tuned models. Existing debiasing methods often rely on prior knowledge of specific dataset biases, which is challenging to acquire a priori. We propose RAZOR (Rewriting And Zero-bias Optimization Refinement), a novel, unsupervised, and data-focused debiasing approach based on text rewriting for shortcut mitigation. RAZOR leverages LLMs to iteratively rewrite potentially biased text segments by replacing them with heuristically selected alternatives in a shortcut space defined by token statistics and positional information. This process aims to align surface-level text features more closely with diverse label distributions, thereby promoting the learning of genuine linguistic patterns. Compared with unsupervised SoTA models, RAZOR improves by 3.5% on the FEVER and 6.5% on MNLI and SNLI datasets according to the F1 score. Additionally, RAZOR effectively mitigates specific known biases, reducing bias-related terms by x2 without requiring prior bias information, a result that is on par with SoTA models that leverage prior information. Our work prioritizes data manipulation over architectural modifications, emphasizing the pivotal role of data quality in enhancing model performance and fairness. This research contributes to developing more robust evaluation benchmarks for debiasing methods by incorporating metrics for bias reduction and overall model efficacy.

Large Language Models (LLMs) gain substantial reasoning and decision-making capabilities from thought structures. However, existing methods such as Tree of Thought and Retrieval Augmented Thoughts often fall short in complex tasks due to the limitations of insufficient local retrieval of factual knowledge and inadequate global selection of strategies. These limitations make it challenging for these methods to balance factual accuracy and comprehensive logical optimization effectively. To address these limitations, we introduce the Retrieval Augmented Thought Tree (RATT), a novel thought structure that considers both overall logical soundness and factual correctness at each step of the thinking process. Specifically, at every point of a thought branch, RATT performs planning and lookahead to explore and evaluate multiple potential reasoning steps, and integrate the fact-checking ability of Retrieval-Augmented Generation (RAG) with LLM's ability to assess overall strategy. Through this combination of factual knowledge and strategic feasibility, the RATT adjusts and integrates the thought tree structure to search for the most promising branches within the search space. This thought structure significantly enhances the model's coherence in logical inference and efficiency in decision-making, and thus increases the limit of the capacity of LLM to generate reliable inferences and decisions based on thought structures. A broad range of experiments on different types of tasks showcases that the RATT structure significantly outperforms existing methods in factual correctness and logical coherence.

Evaluating deep reinforcement learning (DRL) agents against targeted behavior attacks is critical for assessing their robustness. These attacks aim to manipulate the victim into specific behaviors that align with the attacker’s objectives, often bypassing traditional reward-based defenses. Prior methods have primarily focused on reducing cumulative rewards; however, rewards are typically too generic to capture complex safety requirements effectively. As a result, focusing solely on reward reduction can lead to suboptimal attack strategies, particularly in safety-critical scenarios where more precise behavior manipulation is needed. To address these challenges, we propose RAT, a method designed for universal, targeted behavior attacks. RAT trains an intention policy that is explicitly aligned with human preferences, serving as a precise behavioral target for the adversary. Concurrently, an adversary manipulates the victim's policy to follow this target behavior. To enhance the effectiveness of these attacks, RAT dynamically adjusts the state occupancy measure within the replay buffer, allowing for more controlled and effective behavior manipulation. Our empirical results on robotic simulation tasks demonstrate that RAT outperforms existing adversarial attack algorithms in inducing specific behaviors. Additionally, RAT shows promise in improving agent robustness, leading to more resilient policies. We further validate RAT by guiding Decision Transformer agents to adopt behaviors aligned with human preferences in various MuJoCo tasks, demonstrating its effectiveness across diverse tasks.

Benefiting from their powerful generative capabilities, pretrained diffusion models have garnered significant attention for real-world image super-resolution (Real-SR). Existing diffusion-based SR approaches typically utilize semantic information from degraded images and restoration prompts to activate prior for producing realistic high-resolution images. However, general-purpose pretrained diffusion models, not designed for restoration tasks, often have suboptimal prior, and manually defined prompts may fail to fully exploit the generated potential. To address these limitations, we introduce RAP-SR, a novel restoration prior enhancement approach in pretrained diffusion models for Real-SR. First, we develop the High-Fidelity Aesthetic Image Dataset (HFAID), curated through a Quality-Driven Aesthetic Image Selection Pipeline (QDAISP). Our dataset not only surpasses existing ones in fidelity but also excels in aesthetic quality. Second, we propose the Restoration Priors Enhancement Framework, which includes Restoration Priors Refinement (RPR) and Restoration-Oriented Prompt Optimization (ROPO) modules. RPR refines the restoration prior using the HFAID, while ROPO optimizes the unique restoration identifier, improving the quality of the resulting images. RAP-SR effectively bridges the gap between general-purpose models and the demands of Real-SR by enhancing restoration prior. Leveraging the plug-and-play nature of RAP-SR, our approach can be seamlessly integrated into existing diffusion-based SR methods, boosting their performance. Extensive experiments demonstrate its broad applicability and state-of-the-art results.

Intent-based grasp generation inherently involves challenges such as manipulation ambiguity and modality gaps. To address these, we propose a novel Retrieval-Augmented Grasp Generation model (RAGG). Our key insight is that when humans manipulate new objects, they initially mimic the interaction patterns observed in similar objects, then progressively adjust hand-object contact. Consequently, we develop RAGG as a two-stage approach, encompassing retrieval-guided generation and structurally stable grasp refinement. In the first stage, we propose a Retrieval-Augmented Diffusion Model (ReDim), which identifies the most relevant interaction instance from a knowledge base to explicitly guide grasp generation, thereby mitigating ambiguity and bridging modality gaps to ensure semantically correct manipulation. In the second stage, we introduce a Progressive Refinement Network (PRN) with Kolmogorov-Arnold Network (KAN) layers to refine the generated coarse grasp, employing a Structural Similarity Index loss to constrain the spatial relationship between the hand and the object, thus ensuring the stability of the grasp. Extensive experiments on the OakInk and GRAB benchmarks demonstrate that RAGG achieves superior results compared to state-of-the-art approach, indicating not only better physical feasibility and controllability but also strong generalization and interpretability for unseen objects.

Scene Graph Generation (SGG) research has suffered from two fundamental challenges: the long-tailed predicate distribution and semantic ambiguity between predicates. These challenges lead to a bias towards head predicates in SGG models, favoring dominant general predicates while overlooking fine-grained predicates. In this paper, we address the challenges of SGG by framing it as multi-label classification problem with partial annotation, where relevant labels of fine-grained predicates are missing. Under the new frame, we propose Retrieval-Augmented Scene Graph Generation (RA-SGG), which identifies potential instances to be multilabeled and enriches the single-label with multi-labels that are semantically similar to the original label by retrieving relevant samples from our established memory bank. Based on augmented relations (i.e., discovered multi-labels), we apply multi-prototype learning to train our SGG model. Several comprehensive experiments have demonstrated that RASGG outperforms state-of-the-art baselines by up to 3.6% on VG and 5.9% on GQA, particularly in terms of F@K, showing that RA-SGG effectively alleviates the issue of biased prediction caused by the long-tailed distribution and semantic ambiguity of predicates.

Gait attracts growing interest from researchers due to its advantages as a non-invasive and non-cooperative biometric feature. Current gait-based attribute recognition methods primarily focus on estimating attributes such as gender, age, and emotions. However, there is insufficient attention to diverse gait attributes in various covariate scenarios. In this paper, we design and collect a Richly Annotated benchmark for 15 gait attributes, named RA-GAR, comprising data from 533 individuals with over 120,000 sequences. To our knowledge, RA-GAR represents the largest and most diverse benchmark of gait attributes currently available. Furthermore, to fully leverage the semantic information and enhance attribute-specific local perception, we propose a two-stage CLIP-based method for Gait Attribute Recognition, named CLIP-GAR. Experiments on the RA-GAR and MA-Gait datasets demonstrate the effectiveness of CLIP-GAR, showing significant improvements in mean accuracy and F1 score.

Drug Target Interaction (DTI) prediction has witnessed promising performance boosts accompanied by advanced multimodal feature extraction. However, existing approaches suffer from two main difficulties. First, the complex protein structures cannot be well represented by current protein-sequence-based feature extractors. Second, the gap between protein and drug features increases the vulnerability of the obtained classifier thus degrading the prediction robustness. To address these issues, we propose a novel R-DTI method by exploring the second-order relevance in both protein structural feature extraction and DTI prediction phases. Specifically, we construct a pre-trained structural feature extractor that mines the atomic relevance of each amino acid. Then, an inter-feature structure-preserved Riemannian network is designed to expand the existing protein extraction patterns. To improve the prediction robustness, we also develop a Riemannian classifier that uses the second-order protein-drug relevance with a unified feature space. Extensive experimental results demonstrate the merits and superiority of our R-DTI against the state-of-the-art, achieving 1.4% and 1.9% higher AUC-ROC on the BindingDB and DrugBank datasets, respectively.

We consider correlated equilibria in an adversarial environment, where an adversary can compromise the public signal used by the players for choosing their strategies, while players aim at detecting a potential attack as soon as possible to avoid loss of utility. We model the interaction between the adversary and the players as a zero-sum game and we derive the maxmin strategies for both the defender and the attacker using the framework of quickest change detection. We define a class of adversarial strategies that achieve the optimal trade-off between the impact and the detectability of the attack for the adversary and show that a generalized CUSUM scheme is asymptotically optimal for their detection. Our numerical results on the Sioux-Falls benchmark traffic routing game show that the proposed detection scheme can effectively limit the utility loss by a potential adversary.

Exploratory Data Analysis (EDA) derives meaningful insights from extensive and complex datasets. This process typically involves a series of analytical operations to identify the patterns within the data. However, the effectiveness of EDA is often limited by the user's domain knowledge and proficiency in data exploration methods. To overcome these challenges, we developed QUIS, a fully automated EDA system that uncovers insights by generating data-related questions and exploring subspaces in the dataset without prior training. QUIS allows users to control key system parameters such as beam width, beam depth, and expansion factor for subspace selection, the interestingness score for filtering valuable insights, and parameters for managing the quality and quantity of generated questions.