Major Depressive Disorder (MDD) is a prevalent and severe mental disease. Functional Magnetic Resonance Imaging (fMRI)-based diagnostic methods, which analyze Functional Connectivity (FC) to identify abnormal functional connections, have shown promise as biomarker-based approaches for diagnosing depression. However, the high costs of fMRI data result in small sample sizes, hindering the effective identification of abnormal FC patterns. Moreover, existing methods often overlook the potential benefits of incorporating domain knowledge into their models. In this paper, we propose KnowMDD, a novel knowledge-guided cross contrastive learning framework for MDD diagnosis. By incorporating domain knowledge and employing data augmentation, KnowMDD addresses data sparsity while improving robustness and interpretability. Specifically, multiple atlases are used to construct complementary brain graph representations. The default mode network, closely associated with depression, is introduced into the contrastive learning paradigm for diverse subgraph augmentations, while an attention mechanism captures global semantic relationships between brain regions. Based on them, a cross contrastive learning is designed to learn robust representations for accurate diagnosis. Extensive experiments demonstrate the effectiveness, robustness, and interpretability of KnowMDD, which outperforms state-of-the-art methods. We also develop a demonstration system to show its practical application.
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MTGIB-UNet: A Multi-Task Graph Information Bottleneck and Uncertainty Weighted Network for ADMET Prediction
PDF ↗Accurate prediction of ADMET (Absorption, Distribution, Metabolism, Excretion, and Toxicity) properties is crucial in drug development, as these properties directly impact a drug's efficacy and safety. However, existing multi-task learning models often face challenges related to noise interference and task conflicts when dealing with complex molecular structures. To address these issues, we propose a novel multi-task Graph Neural Network (GNN) model, \textbf{MTGIB-UNet}. The model begins by encoding molecular graphs to capture intricate molecular structure information. Subsequently, based on the Graph Information Bottleneck (GIB) principle, the model compresses the information flow by extracting subgraphs, retaining task-relevant features while removing noise for each task. These embeddings are then fused through a gated network that dynamically adjusts the contribution weights of auxiliary tasks to the primary task. Specifically, an uncertainty weighting (UW) strategy is applied, with additional emphasis placed on the primary task, allowing dynamic adjustment of task weights while strengthening the influence of the primary task on model training. Experiments on standard ADMET datasets demonstrate that our model outperforms existing methods. Additionally, the model shows good interpretability by identifying key molecular substructures related to specific ADMET endpoints.
The representation of feature space is a crucial environment where data points get vectorized and embedded for subsequent modeling. Thus, the efficacy of machine learning (ML) algorithms is closely related to the quality of feature engineering. As one of the most important techniques, feature generation transforms raw data into an optimized feature space conducive to model training and further refines the space. Despite the advancements in automated feature engineering and feature generation, current methodologies often suffer from three fundamental issues: lack of explainability, limited applicability, and inflexible strategy. These shortcomings frequently hinder and limit the deployment of ML models across varied scenarios. Our research introduces a novel approach adopting large language models (LLMs) and feature-generating prompts to address these challenges. We propose a dynamic and adaptive feature generation method that enhances the interpretability of the feature generation process. Our approach broadens the applicability across various data types and tasks and offers advantages in terms of strategic flexibility. A broad range of experiments showcases that our approach is significantly superior to existing methods.
Multiple clustering approaches aim to partition complex data in different ways. These methods often exhibit a one-to-many relationship in their results, and relying solely on the data context may be insufficient to capture the patterns relevant to the user. User’s expectation is key for the multiple clustering task. Two main challenges exist: identifying the significant features to represent user interests and aligning those interests with the clustering results. To address this issue, we propose Contrastive Multiple Clusterings (CMClusts), which extends contrastive learning to multiple clustering by elevating traditional instance-level contrast to clustering-level contrast. Furthermore, CMClusts integrates user expectations or interests by extracting desired features through tailored data augmentations, enabling the model to effectively capture user-relevant clustering features. Experimental results on benchmark datasets show that CMClusts can generate interpretable and high-quality clusterings, which reflect different user interests.
Deduction with Induction: Combining Knowledge Discovery and Reasoning for Interpretable Deep Reinforcement Learning
PDF ↗Deep reinforcement learning (DRL) has achieved remarkable success in dynamic decision-making tasks. However, its inherent opacity and cold start problem hinder transparency and training efficiency. To address these challenges, we propose HRL-ID, a neural-symbolic framework that combines automated rule discovery with logical reasoning within a hierarchical DRL structure. HRL-ID dynamically extracts first-order logic rules from environmental interactions, iteratively refines them through success-based updates, and leverages these rules to guide action execution during training. Extensive experiments on Atari benchmarks demonstrate that HRL-ID outperforms state-of-the-art methods in training efficiency and interpretability, achieving higher reward rates and successful knowledge transfer between domains.
Explaining Black-box Model Predictions via Two-level Nested Feature Attributions with Consistency Property
PDF ↗Techniques that explain the predictions of black-box machine learning models are crucial to make the models transparent, thereby increasing trust in AI systems. The input features to the models often have a nested structure that consists of high- and low-level features, and each high-level feature is decomposed into multiple low-level features. For such inputs, both high-level feature attributions (HiFAs) and low-level feature attributions (LoFAs) are important for better understanding the model's decision. In this paper, we propose a model-agnostic local explanation method that effectively exploits the nested structure of the input to estimate the two-level feature attributions simultaneously. A key idea of the proposed method is to introduce the consistency property that should exist between the HiFAs and LoFAs, thereby bridging the separate optimization problems for estimating them. Thanks to this consistency property, the proposed method can produce HiFAs and LoFAs that are both faithful to the black-box models and consistent with each other, using a smaller number of queries to the models. In experiments on image classification in multiple instance learning and text classification using language models, we demonstrate that the HiFAs and LoFAs estimated by the proposed method are accurate, faithful to the behaviors of the black-box models, and provide consistent explanations.
Deep neural networks have achieved remarkable performance across a variety of applications. However, their decision-making processes are opaque. In contrast, k-nearest neighbor (k-NN) provides interpretable predictions by relying on similar cases, but it lacks important capabilities of neural networks. The neural network k-nearest neighbor (NN-kNN) model is designed to bridge this gap, combining the benefits of neural networks with the instance-based interpretability of k-NN. However, the initial formulation of NN-kNN had limitations including scalability issues, reliance on surface-level features, and an excessive number of parameters. This paper improves NN-kNN by enhancing its scalability, parameter efficiency, ease of integration with feature extractors, and training simplicity. An evaluation of the revised architecture for image and language classification tasks illustrates its promise as a flexible and interpretable method.
Beyond Statistical Analysis: Multimodal Framework for Time Series Forecasting with LLM-Driven Temporal Pattern
PDF ↗Accurate forecasting of time series is crucial for many applications in the real world. Conventional methods primarily rely on statistical analysis of historical data, often leading to overfitting and failing to account for background information and constraints imposed by external events. Therefore, introducing large language models (LLMs) with robust textual capabilities holds significant potential. However, due to the inherent limitations of LLMs in handling numerical data, they do not exhibit advantages in precise numerical prediction tasks. Therefore, we propose a framework to integrate LLMs with conventional methods synergistically. Rather than directly outputting numerical predictions, we leverage the capabilities of the LLMs to generate textual temporal patterns, thereby fully utilizing their inherent knowledge and reasoning abilities. Additionally, we introduce a memory network designed to decode these textual representations into a format that numerical models can effectively interpret. This approach not only capitalizes on the strengths of the LLM in text processing but also bridges the gap between textual and numerical data, enhancing the overall predictive performance of the model. Our experimental results demonstrate the framework's effectiveness, achieving state-of-the-art performance on various benchmark datasets.
Transformers have demonstrated remarkable performance across diverse domains. The key component of Transformers is self-attention, which learns the relationship between any two tokens in the input sequence. Recent studies have revealed that the self-attention can be understood as a normalized adjacency matrix of a graph. Notably, from the perspective of graph signal processing (GSP), the self-attention can be equivalently defined as a simple graph filter, applying GSP using the value vector as the signal. However, the self-attention is a graph filter defined with only the first order of the polynomial matrix, and acts as a low-pass filter preventing the effective leverage of various frequency information. Consequently, existing self-attention mechanisms are designed in a rather simplified manner. Therefore, we propose a novel method, called Attentive Graph Filter (AGF), interpreting the self-attention as learning the graph filter in the singular value domain from the perspective of graph signal processing for directed graphs with the linear complexity w.r.t. the input length. In our experiments, we demonstrate that AGF achieves state-of-the-art performance on various tasks, including Long Range Arena benchmark and time series classification. Code is available at https://github.com/hyowonwi/agf.
Abductive Learning (ABL), a prominent neural-symbolic learning algorithm, integrates perception models with logical reasoning via intermediate symbolic concepts, substantially improving the interpretability and generalization of AI systems. However, a significant challenge in this domain is the issue of reasoning shortcuts, where the system achieve high final prediction accuracy but generate incorrect intermediate concept inferences, severely undermining ABL’s interpretability and generalization capabilities. Current mitigation methods to this problem often neglect potential correlations among training samples, leading to suboptimal performances. This paper innovatively reveals that simple samples can facilitate the learning of intermediate concepts in complex samples, prompting our proposed method Curriculum Abductive Learning (CurABL) technique. This approach employs a curriculum training strategy, integrating a knowledge transfer mechanism from simple to complex samples, effectively addressing the issue of reasoning shortcuts. Comprehensive experimental results demonstrate that the CurABL method substantially improves the ABL framework’s capability to extract intermediate concepts especially in difficult tasks and accelerates the training convergence rate, thus markedly enhancing its robustness against reasoning shortcuts.
From Individual to Universal: Regularized Multi-view Joint Representation for Multi-view Subspace-Preserving Recovery
PDF ↗Recent years have witnessed an explosion of Multi- view Subspace Classification (MSCla) and Multi-view Subspace Clustering (MSClu) methods for various applications. However, their theoretical foundation have not been well explored and understood. In this paper, we investigate the multi-view subspace-preserving recovery theory, which is the theoretical underpinnings for MSCla and MSClu methods. Specifically, we derive novel geometrically interpretable conditions for the success of multi-view subspace-preserving recovery. Compared with prior related works, we make the following innovations: First, our theory does not require the equality constraint, which is a common requirement in prior theoretical works and may be too restrictive in reality. Second, we provide both Individual Theoretical Guarantee (ITG) and Universal Theoretical Guarantee (UTG) for multi-view subspace-preserving recovery while prior works only give the UTG. Third, we also apply the proposed theory to establish theoretical guarantees for MSCla and MSClu, respectively. Numerical results validate the proposed theory for multi-view subspace-preserving recovery.
Multiscale signals represent a formidable modelling challenge in Machine Learning as the ubiquitous Mean Squared Error loss function neglects signal behaviour at smaller values. Several scale-equalizing error metrics have been devised to tackle this problem, amongst which the Mean Absolute Percentage Error (MAPE) remains the most widely used due to its simplicity and interpretability. However, by its very definition, MAPE introduces three major issues: asymptotic behaviour at zero-target values, asymptotic gradient behaviour at zero error, and accuracy loss for large signal scales. We address these limitations by proposing the Symmetric Mean Arctangent Squared Percentage Error (SMASPE), which builds up from the Mean Arctangent Absolute Percentage Error (MAAPE) and leverages a mathematically smoother definition along with user-provided signal bounds to extend its functionality. The numerical properties of SMASPE are explored, and its performance is tested in two real-life cases for deterministic and stochastic optimization. The experiments show a clear advantage of the proposed loss function, with an improvement of up to 42% with respect to MAAPE in terms of Mean Absolute Error for deep learning models when appropriate bounds are selected.
Multi-label causal feature selection has garnered considerable attention for its ability to identify the most informative features while accounting for the causal dependencies between labels and features. However, previous work often overlooks the unique contributions of labels to the target variables in multi-label settings, focusing instead on prioritizing feature variables. Moreover, existing methods typically rely on traditional Markov Blanket (MB) discovery to construct an initial MB, which often fails to explore the most valuable form of spouse variables to feature selection in multi-label scenarios, leading to significant computational overhead due to redundant Conditional Independence (CI) tests required for spouse search. To address these challenges, we propose the Multi-label Causal Feature Selection Method with Optimal Spouses Discovery, MCF-Spouse, which leverages mutual information to quantify the contributions of both labels and features, ensuring the retention of the most informative variables in multi-label settings. Moreover, we systematically analyzes all potential forms of spouse variables to identify the optimal spouse case, significantly reducing the spouse search space and alleviating the time overhead associated with CI tests. Experiments conducted on diverse real-world datasets demonstrate that MCF-Spouse consistently outperforms state-of-the-art methods across multiple metrics, offering a scalable and interpretable solution for multi-label causal feature selection.
Enhancing Semantic Clarity: Discriminative and Fine-grained Information Mining for Remote Sensing Image-Text Retrieval
PDF ↗Remote sensing image-text retrieval is a fundamental task in remote sensing multimodal analysis, promoting the alignment of visual and language representations. The mainstream approaches commonly focus on capturing shared semantic representations between visual and textual modalities. However, the inherent characteristics of remote sensing image-text pairs lead to a semantic confusion problem, stemming from redundant visual representations and high inter-class similarity. To tackle this problem, we propose a novel Discriminative and Fine-grained Information Mining (DFIM) model, which aims to enhance semantic clarity by reducing visual redundancy and increasing the semantic gap between different classes. Specifically, the Dynamic Visual Enhancement (DVE) module adaptively enhances the visual discriminative features under the guidance of multimodal fusion information. Meanwhile, the Fine-grained Semantic Matching (FSM) module cleverly models the matching relationship between image regions and text words as an optimal transport problem, thereby refining intra-instance matching. Extensive experiments on two benchmark datasets justify the superiority of DFIM in terms of retrieval accuracy and visual interpretability over the leading methods.
RepObE: Representation Learning-Enhanced Obfuscation Encryption Modular Semantic Task Framework
PDF ↗Model inversion and adversarial attacks in semantic communication pose risks, such as content leaks, alterations, and prediction inaccuracies, which threaten security and reliability. This paper introduces, from an attacker's viewpoint, a novel framework called RepObE (Representation Learning-Enhanced Obfuscation Encryption Modular Semantic Task Framework) to secure semantic communication. This framework employs dynamic encryption during semantic extraction and feature transmission to hinder attackers from reconstructing data through eavesdropping, thus strengthening system privacy. To combat image communication task challenges, we propose a prototype adversarial collaborative alignment training approach enhanced by representation learning. This method extracts and encodes semantic features while using dynamic perturbation and robust optimization to improve system resilience against adversarial threats. The approach ensures reliable semantic communication in complex environments, maintaining performance while countering attacks using feature obfuscation, adversarial training, and representation learning. Experimental results demonstrate that our method surpasses existing techniques by more than 2% in resisting model inversion attacks on classification tasks. Visually, our method excels with minimal decipherable images for attackers. It also shows a 3% to 5% improvement in countering adversarial attacks on classification tasks.
The goal of this paper is to investigate distributed temporal difference (TD) learning for a networked multi-agent Markov decision process. The proposed approach is based on distributed optimization algorithms, which can be interpreted as primal-dual ordinary differential equation (ODE) dynamics subject to null-space constraints. Based on the exponential convergence behavior of the primal-dual ODE dynamics subject to null-space constraints, we examine the behavior of the final iterate in various distributed TD-learning scenarios, considering both constant and diminishing step-sizes and incorporating both i.i.d. and Markovian observation models. Unlike existing methods, the proposed algorithm does not require the assumption that the underlying communication network structure is characterized by a doubly stochastic matrix.
Learning robust representations from data often requires scale, which has led to the success of recent zero-shot models such as CLIP. However, the obtained robustness can easily be deteriorated when these models are fine-tuned on other downstream tasks (e.g., of smaller scales). Previous works often interpret this phenomenon in the context of domain shift, developing fine-tuning methods that aim to preserve the original domain as much as possible. However, in a different context, fine-tuned models with limited data are also prone to learning features that are spurious to humans, such as background or texture. In this paper, we propose StarFT (Spurious Textual Alignment Regularization), a novel framework for fine-tuning zero-shot models to enhance robustness by preventing them from learning spuriosity. We introduce a regularization that aligns the output distribution for spuriosity-injected labels with the original zero-shot model, ensuring that the model is not induced to extract irrelevant features further from these descriptions. We leverage recent language models to get such spuriosity-injected labels by generating alternative textual descriptions that highlight potentially confounding features. Extensive experiments validate the robust generalization of StarFT and its emerging properties: zero-shot group robustness and improved zero-shot classification. Notably, StarFT boosts both worst-group and average accuracy by 14.30% and 3.02%, respectively, in the Waterbirds group shift scenario, where other robust fine-tuning baselines show even degraded performance.
Learning to Explain: Towards Human-Aligned Explainability in Deep Reinforcement Learning via Attention Guidance
PDF ↗Recent advances in explainable deep reinforcement learning (DRL) have provided insights into the reasoning behind decisions made by DRL agents. However, existing methods often overlook the subjective nature of explanations and fail to consider human cognitive styles and preferences. Such ignorance tends to reduce the interpretability and relevance of the generated explanations from a human evaluator's perspective. To address this issue, we introduce human cognition into the explaining procedure by integrating DRL with attention guidance in a novel manner. The proposed concept proximal policy optimization (Concept-PPO) learns to generate human-aligned explanations by jointly optimizing the DRL performance and the discrepancy between generated explanations and human annotations. Its key component is a specially designed spatial concept transformer that can enhance explaining efficiency by premasking decision-irrelevant information. Experiments on the ATARI benchmark demonstrate that Concept-PPO achieves better policies than its black-box counterparts, and user studies confirm its superiority in generating human-aligned explanations compared to existing explainable DRL methods.
Multimodal learning is pivotal for the advancement of artificial intelligence, enabling machines to integrate complementary information from diverse data sources for holistic perception and understanding. Despite significant progress, existing methods struggle with challenges such as noisy inputs, noisy correspondence, and the inherent uncertainty of multimodal data, limiting their reliability and robustness. To address these issues, this paper presents a novel Probabilistic Multimodal Learning framework (PML) that models each data point as a von Mises-Fisher (vMF) distribution, effectively capturing intrinsic uncertainty and enabling robust fusion. Unlike traditional Gaussian-based models, PML learns directional representation with a concentration parameter to quantify reliability directly, enhancing stability and interpretability. To enhance discrimination, we propose a von Mises-Fisher Prototypical Contrastive Learning paradigm (vMF-PCL), which projects data onto a hypersphere by pulling within-class samples closer to their class prototype while pushing between-class prototypes apart, adaptively learning the reliability estimations. Building upon the estimated reliability, we develop a Reliable Multimodal Fusion mechanism (RMF) that dynamically adjusts the contribution and conflict of each modality, ensuring robustness against noisy data, noisy correspondence, and uncertainty. Extensive experiments on nine benchmarks demonstrate the superiority of PML, consistently outperforming 14 state-of-the-art methods. Code is available at https://github.com/XLearning-SCU/2025-IJCAI-PML.
Multimodal intent recognition (MIR) seeks to accurately interpret user intentions by integrating verbal and non-verbal information across video, audio and text modalities. While existing approaches prioritize text analysis, they often overlook the rich semantic content embedded in non-verbal cues. This paper presents a novel Wavelet-Driven Multimodal Intent Recognition (WDMIR) framework that enhances intent understanding through frequency-domain analysis of non-verbal information. To be more specific, we propose: (1) a wavelet-driven fusion module that performs synchronized decomposition and integration of video-audio features in the frequency domain, enabling fine-grained analysis of temporal dynamics; (2) a cross-modal interaction mechanism that facilitates progressive feature enhancement from bimodal to trimodal integration, effectively bridging the semantic gap between verbal and non-verbal information. Extensive experiments on MIntRec demonstrate that our approach achieves state-of-the-art performance, surpassing previous methods by 1.13% on accuracy. Ablation studies further verify that the wavelet-driven fusion module significantly improves the extraction of semantic information from non-verbal sources, with a 0.41% increase in recognition accuracy when analyzing subtle emotional cues.