Explanation-Preserving Augmentation for Semi-Supervised Graph Representation Learning

Graph representation learning (GRL), enhanced by graph augmentation methods, has emerged as an effective technique achieving performance improvements in wide tasks such as node classification and graph classification. In self-supervised GRL, paired graph augmentations are generated from each graph. Its objective is to infer similar representations for augmentations of the same graph, but maximally distinguishable representations for augmentations of different graphs. Analogous to image and language domains, the desiderata of an ideal augmentation method include both (1) semantics-preservation; and (2) data-perturbation; i.e., an augmented graph should preserve the semantics of its original graph while carrying sufficient variance. However, most existing (un-)/self-supervised GRL methods focus on data perturbation but largely neglect semantics preservation. To address this challenge, in this paper, we propose a novel method, Explanation-Preserving Augmentation (EPA), that leverages graph explanation techniques for generating augmented graphs that can bridge the gap between semantics-preservation and data-perturbation. EPA first uses a small number of labels to train a graph explainer to infer the sub-structures (explanations) that are most relevant to a graph's semantics. These explanations are then used to generate semantics-preserving augmentations for self-supervised GRL, namely EPA-GRL. We demonstrate theoretically, using an analytical example, and through extensive experiments on a variety of benchmark datasets that EPA-GRL outperforms the state-of-the-art (SOTA) GRL methods, which are built upon semantics-agnostic data augmentations.

F-Fidelity: A Robust Framework for Faithfulness Evaluation of Explainable AI

Recent research has developed a number of eXplainable AI (XAI) techniques. Although extracting meaningful insights from deep learning models, how to properly evaluate these XAI methods remains an open problem. The most widely used approach is to perturb or even remove what the XAI method considers to be the most important features in an input and observe the changes in the output prediction. This approach although efficient suffers the Out-of-Distribution (OOD) problem as the perturbed samples may no longer follow the original data distribution. A recent method RemOve And Retrain (ROAR) solves the OOD issue by retraining the model with perturbed samples guided by explanations. However, the training may not always converge given the distribution difference. Furthermore, using the model retrained based on XAI methods to evaluate these explainers may cause information leakage and thus lead to unfair comparisons. We propose Fine-tuned Fidelity F-Fidelity, a robust evaluation framework for XAI, which utilizes i) an explanation-agnostic fine-tuning strategy, thus mitigating the information leakage issue and ii) a random masking operation that ensures that the removal step does not generate an OOD input. We designed controlled experiments with state-of-the-art (SOTA) explainers and their degraded version to verify the correctness of our framework. We conducted experiments on multiple data structures, such as images, time series, and natural language. The results demonstrate that F-Fidelity significantly improves upon prior evaluation metrics in recovering the ground-truth ranking of the explainers. Furthermore, we show both theoretically and empirically that, given a faithful explainer, F-Fidelity metric can be used to compute the sparsity of influential input components, i.e., to extract the true explanation size.

MixLinear: Extreme Low Resource Multivariate Time Series Forecasting with 0.1K Parameters

Recently, there has been a growing interest in Long-term Time Series Forecasting (LTSF), which involves predicting long-term future values by analyzing a large amount of historical time-series data to identify patterns and trends. There exist significant challenges in LTSF due to its complex temporal dependencies and high computational demands. Although Transformer-based models offer high forecasting accuracy, they are often too compute-intensive to be deployed on devices with hardware constraints. On the other hand, the linear models aim to reduce the computational overhead by employing either decomposition methods in the time domain or compact representations in the frequency domain. In this paper, we propose MixLinear, an ultra-lightweight multivariate time series forecasting model specifically designed for resource-constrained devices. MixLinear effectively captures both temporal and frequency domain features by modeling intra-segment and inter-segment variations in the time domain and extracting frequency variations from a low-dimensional latent space in the frequency domain. By reducing the parameter scale of a downsampled $n$-length input/output one-layer linear model from $O(n^2)$ to $O(n)$, MixLinear achieves efficient computation without sacrificing accuracy. Extensive evaluations with four benchmark datasets show that MixLinear attains forecasting performance comparable to, or surpassing, state-of-the-art models with significantly fewer parameters ($0.1K$), which makes it well-suited for deployment on devices with limited computational capacity.

MMFNet: Multi-Scale Frequency Masking Neural Network for Multivariate Time Series Forecasting

Long-term Time Series Forecasting (LTSF) is critical for numerous real-world applications, such as electricity consumption planning, financial forecasting, and disease propagation analysis. LTSF requires capturing long-range dependencies between inputs and outputs, which poses significant challenges due to complex temporal dynamics and high computational demands. While linear models reduce model complexity by employing frequency domain decomposition, current approaches often assume stationarity and filter out high-frequency components that may contain crucial short-term fluctuations. In this paper, we introduce MMFNet, a novel model designed to enhance long-term multivariate forecasting by leveraging a multi-scale masked frequency decomposition approach. MMFNet captures fine, intermediate, and coarse-grained temporal patterns by converting time series into frequency segments at varying scales while employing a learnable mask to filter out irrelevant components adaptively. Extensive experimentation with benchmark datasets shows that MMFNet not only addresses the limitations of the existing methods but also consistently achieves good performance. Specifically, MMFNet achieves up to 6.0% reductions in the Mean Squared Error (MSE) compared to state-of-the-art models designed for multivariate forecasting tasks.

LLMExplainer: Large Language Model based Bayesian Inference for Graph Explanation Generation

Recent studies seek to provide Graph Neural Network (GNN) interpretability via multiple unsupervised learning models. Due to the scarcity of datasets, current methods easily suffer from learning bias. To solve this problem, we embed a Large Language Model (LLM) as knowledge into the GNN explanation network to avoid the learning bias problem. We inject LLM as a Bayesian Inference (BI) module to mitigate learning bias. The efficacy of the BI module has been proven both theoretically and experimentally. We conduct experiments on both synthetic and real-world datasets. The innovation of our work lies in two parts: 1. We provide a novel view of the possibility of an LLM functioning as a Bayesian inference to improve the performance of existing algorithms; 2. We are the first to discuss the learning bias issues in the GNN explanation problem.

TimeX++: Learning Time-Series Explanations with Information Bottleneck

Explaining deep learning models operating on time series data is crucial in various applications of interest which require interpretable and transparent insights from time series signals. In this work, we investigate this problem from an information theoretic perspective and show that most existing measures of explainability may suffer from trivial solutions and distributional shift issues. To address these issues, we introduce a simple yet practical objective function for time series explainable learning. The design of the objective function builds upon the principle of information bottleneck (IB), and modifies the IB objective function to avoid trivial solutions and distributional shift issues. We further present TimeX++, a novel explanation framework that leverages a parametric network to produce explanation-embedded instances that are both in-distributed and label-preserving. We evaluate TimeX++ on both synthetic and real-world datasets comparing its performance against leading baselines, and validate its practical efficacy through case studies in a real-world environmental application. Quantitative and qualitative evaluations show that TimeX++ outperforms baselines across all datasets, demonstrating a substantial improvement in explanation quality for time series data. The source code is available at \url{https://github.com/zichuan-liu/TimeXplusplus}.

Elevating Spectral GNNs through Enhanced Band-pass Filter Approximation

Spectral Graph Neural Networks (GNNs) have attracted great attention due to their capacity to capture patterns in the frequency domains with essential graph filters. Polynomial-based ones (namely poly-GNNs), which approximately construct graph filters with conventional or rational polynomials, are routinely adopted in practice for their substantial performances on graph learning tasks. However, previous poly-GNNs aim at achieving overall lower approximation error on different types of filters, e.g., low-pass and high-pass, but ignore a key question: \textit{which type of filter warrants greater attention for poly-GNNs?} In this paper, we first show that poly-GNN with a better approximation for band-pass graph filters performs better on graph learning tasks. This insight further sheds light on critical issues of existing poly-GNNs, i.e., those poly-GNNs achieve trivial performance in approximating band-pass graph filters, hindering the great potential of poly-GNNs. To tackle the issues, we propose a novel poly-GNN named TrigoNet. TrigoNet constructs different graph filters with novel trigonometric polynomial, and achieves leading performance in approximating band-pass graph filters against other polynomials. By applying Taylor expansion and deserting nonlinearity, TrigoNet achieves noticeable efficiency among baselines. Extensive experiments show the advantages of TrigoNet in both accuracy performances and efficiency.

Spectral GNN via Two-dimensional (2-D) Graph Convolution

Spectral Graph Neural Networks (GNNs) have achieved tremendous success in graph learning. As an essential part of spectral GNNs, spectral graph convolution extracts crucial frequency information in graph data, leading to superior performance of spectral GNNs in downstream tasks. However, in this paper, we show that existing spectral GNNs remain critical drawbacks in performing the spectral graph convolution. Specifically, considering the spectral graph convolution as a construction operation towards target output, we prove that existing popular convolution paradigms cannot construct the target output with mild conditions on input graph signals, causing spectral GNNs to fall into suboptimal solutions. To address the issues, we rethink the spectral graph convolution from a more general two-dimensional (2-D) signal convolution perspective and propose a new convolution paradigm, named 2-D graph convolution. We prove that 2-D graph convolution unifies existing graph convolution paradigms, and is capable to construct arbitrary target output. Based on the proposed 2-D graph convolution, we further propose ChebNet2D, an efficient and effective GNN implementation of 2-D graph convolution through applying Chebyshev interpolation. Extensive experiments on benchmark datasets demonstrate both effectiveness and efficiency of the ChebNet2D.

Are Classification Robustness and Explanation Robustness Really Strongly Correlated? An Analysis Through Input Loss Landscape

This paper delves into the critical area of deep learning robustness, challenging the conventional belief that classification robustness and explanation robustness in image classification systems are inherently correlated. Through a novel evaluation approach leveraging clustering for efficient assessment of explanation robustness, we demonstrate that enhancing explanation robustness does not necessarily flatten the input loss landscape with respect to explanation loss - contrary to flattened loss landscapes indicating better classification robustness. To deeply investigate this contradiction, a groundbreaking training method designed to adjust the loss landscape with respect to explanation loss is proposed. Through the new training method, we uncover that although such adjustments can impact the robustness of explanations, they do not have an influence on the robustness of classification. These findings not only challenge the prevailing assumption of a strong correlation between the two forms of robustness but also pave new pathways for understanding relationship between loss landscape and explanation loss.

Large Language Multimodal Models for 5-Year Chronic Disease Cohort Prediction Using EHR Data

Chronic diseases such as diabetes are the leading causes of morbidity and mortality worldwide. Numerous research studies have been attempted with various deep learning models in diagnosis. However, most previous studies had certain limitations, including using publicly available datasets (e.g. MIMIC), and imbalanced data. In this study, we collected five-year electronic health records (EHRs) from the Taiwan hospital database, including 1,420,596 clinical notes, 387,392 laboratory test results, and more than 1,505 laboratory test items, focusing on research pre-training large language models. We proposed a novel Large Language Multimodal Models (LLMMs) framework incorporating multimodal data from clinical notes and laboratory test results for the prediction of chronic disease risk. Our method combined a text embedding encoder and multi-head attention layer to learn laboratory test values, utilizing a deep neural network (DNN) module to merge blood features with chronic disease semantics into a latent space. In our experiments, we observe that clinicalBERT and PubMed-BERT, when combined with attention fusion, can achieve an accuracy of 73% in multiclass chronic diseases and diabetes prediction. By transforming laboratory test values into textual descriptions and employing the Flan T-5 model, we achieved a 76% Area Under the ROC Curve (AUROC), demonstrating the effectiveness of leveraging numerical text data for training and inference in language models. This approach significantly improves the accuracy of early-stage diabetes prediction.