Abstract:Interpretable machine learning models offer understandable reasoning behind their decision-making process, though they may not always match the performance of their black-box counterparts. This trade-off between interpretability and model performance has sparked discussions around the deployment of AI, particularly in critical applications where knowing the rationale of decision-making is essential for trust and accountability. In this study, we conduct a comparative analysis of several black-box and interpretable models, focusing on a specific NLP use case that has received limited attention: inferring ratings from reviews. Through this use case, we explore the intricate relationship between the performance and interpretability of different models. We introduce a quantitative score called Composite Interpretability (CI) to help visualize the trade-off between interpretability and performance, particularly in the case of composite models. Our results indicate that, in general, the learning performance improves as interpretability decreases, but this relationship is not strictly monotonic, and there are instances where interpretable models are more advantageous.
Abstract:Synthetic lethality (SL) is a promising gene interaction for cancer therapy. Recent SL prediction methods integrate knowledge graphs (KGs) into graph neural networks (GNNs) and employ attention mechanisms to extract local subgraphs as explanations for target gene pairs. However, attention mechanisms often lack fidelity, typically generate a single explanation per gene pair, and fail to ensure trustworthy high-order structures in their explanations. To overcome these limitations, we propose Diverse Graph Information Bottleneck for Synthetic Lethality (DGIB4SL), a KG-based GNN that generates multiple faithful explanations for the same gene pair and effectively encodes high-order structures. Specifically, we introduce a novel DGIB objective, integrating a Determinant Point Process (DPP) constraint into the standard IB objective, and employ 13 motif-based adjacency matrices to capture high-order structures in gene representations. Experimental results show that DGIB4SL outperforms state-of-the-art baselines and provides multiple explanations for SL prediction, revealing diverse biological mechanisms underlying SL inference.
Abstract:Fairness constraints applied to machine learning (ML) models in static contexts have been shown to potentially produce adverse outcomes among demographic groups over time. To address this issue, emerging research focuses on creating fair solutions that persist over time. While many approaches treat this as a single-agent decision-making problem, real-world systems often consist of multiple interacting entities that influence outcomes. Explicitly modeling these entities as agents enables more flexible analysis of their interventions and the effects they have on a system's underlying dynamics. A significant challenge in conducting research on multi-agent systems is the lack of realistic environments that leverage the limited real-world data available for analysis. To address this gap, we introduce the concept of a Multi-Agent Fair Environment (MAFE) and present and analyze three MAFEs that model distinct social systems. Experimental results demonstrate the utility of our MAFEs as testbeds for developing multi-agent fair algorithms.
Abstract:Time series domain adaptation aims to transfer the complex temporal dependence from the labeled source domain to the unlabeled target domain. Recent advances leverage the stable causal mechanism over observed variables to model the domain-invariant temporal dependence. However, modeling precise causal structures in high-dimensional data, such as videos, remains challenging. Additionally, direct causal edges may not exist among observed variables (e.g., pixels). These limitations hinder the applicability of existing approaches to real-world scenarios. To address these challenges, we find that the high-dimension time series data are generated from the low-dimension latent variables, which motivates us to model the causal mechanisms of the temporal latent process. Based on this intuition, we propose a latent causal mechanism identification framework that guarantees the uniqueness of the reconstructed latent causal structures. Specifically, we first identify latent variables by utilizing sufficient changes in historical information. Moreover, by enforcing the sparsity of the relationships of latent variables, we can achieve identifiable latent causal structures. Built on the theoretical results, we develop the Latent Causality Alignment (LCA) model that leverages variational inference, which incorporates an intra-domain latent sparsity constraint for latent structure reconstruction and an inter-domain latent sparsity constraint for domain-invariant structure reconstruction. Experiment results on eight benchmarks show a general improvement in the domain-adaptive time series classification and forecasting tasks, highlighting the effectiveness of our method in real-world scenarios. Codes are available at https://github.com/DMIRLAB-Group/LCA.
Abstract:Despite significant advances in deep learning-based sleep stage classification, the clinical adoption of automatic classification models remains slow. One key challenge is the lack of explainability, as many models function as black boxes with millions of parameters. In response, recent work has increasingly focussed on enhancing model explainability. This study contributes to these efforts by globally explaining spectral processing of individual EEG channels. Specifically, we introduce a method to retrieve the filter spectrum of low-level convolutional feature extraction and compare it with the classification-relevant spectral information in the data. We evaluate our approach on the MSA-CNN model using the ISRUC-S3 and Sleep-EDF-20 datasets. Our findings show that spectral processing plays a significant role in the lower frequency bands. In addition, comparing the correlation between filter spectrum and data-based spectral information with univariate performance indicates that the model naturally prioritises the most informative channels in a multimodal setting. We specify how these insights can be leveraged to enhance model performance. The code for the filter spectrum retrieval and its analysis is available at https://github.com/sgoerttler/MSA-CNN.
Abstract:Recent advancements in machine learning-based signal analysis, coupled with open data initiatives, have fuelled efforts in automatic sleep stage classification. Despite the proliferation of classification models, few have prioritised reducing model complexity, which is a crucial factor for practical applications. In this work, we introduce Multi-Scale and Attention Convolutional Neural Network (MSA-CNN), a lightweight architecture featuring as few as ~10,000 parameters. MSA-CNN leverages a novel multi-scale module employing complementary pooling to eliminate redundant filter parameters and dense convolutions. Model complexity is further reduced by separating temporal and spatial feature extraction and using cost-effective global spatial convolutions. This separation of tasks not only reduces model complexity but also mirrors the approach used by human experts in sleep stage scoring. We evaluated both small and large configurations of MSA-CNN against nine state-of-the-art baseline models across three public datasets, treating univariate and multivariate models separately. Our evaluation, based on repeated cross-validation and re-evaluation of all baseline models, demonstrated that the large MSA-CNN outperformed all baseline models on all three datasets in terms of accuracy and Cohen's kappa, despite its significantly reduced parameter count. Lastly, we explored various model variants and conducted an in-depth analysis of the key modules and techniques, providing deeper insights into the underlying mechanisms. The code for our models, baselines, and evaluation procedures is available at https://github.com/sgoerttler/MSA-CNN.
Abstract:Gene panel selection aims to identify the most informative genomic biomarkers in label-free genomic datasets. Traditional approaches, which rely on domain expertise, embedded machine learning models, or heuristic-based iterative optimization, often introduce biases and inefficiencies, potentially obscuring critical biological signals. To address these challenges, we present an iterative gene panel selection strategy that harnesses ensemble knowledge from existing gene selection algorithms to establish preliminary boundaries or prior knowledge, which guide the initial search space. Subsequently, we incorporate reinforcement learning through a reward function shaped by expert behavior, enabling dynamic refinement and targeted selection of gene panels. This integration mitigates biases stemming from initial boundaries while capitalizing on RL's stochastic adaptability. Comprehensive comparative experiments, case studies, and downstream analyses demonstrate the effectiveness of our method, highlighting its improved precision and efficiency for label-free biomarker discovery. Our results underscore the potential of this approach to advance single-cell genomics data analysis.
Abstract:Test-time adaptation aims to adapt pre-trained deep neural networks using solely online unlabelled test data during inference. Although TTA has shown promise in visual applications, its potential in time series contexts remains largely unexplored. Existing TTA methods, originally designed for visual tasks, may not effectively handle the complex temporal dynamics of real-world time series data, resulting in suboptimal adaptation performance. To address this gap, we propose Augmented Contrastive Clustering with Uncertainty-aware Prototyping (ACCUP), a straightforward yet effective TTA method for time series data. Initially, our approach employs augmentation ensemble on the time series data to capture diverse temporal information and variations, incorporating uncertainty-aware prototypes to distill essential characteristics. Additionally, we introduce an entropy comparison scheme to selectively acquire more confident predictions, enhancing the reliability of pseudo labels. Furthermore, we utilize augmented contrastive clustering to enhance feature discriminability and mitigate error accumulation from noisy pseudo labels, promoting cohesive clustering within the same class while facilitating clear separation between different classes. Extensive experiments conducted on three real-world time series datasets and an additional visual dataset demonstrate the effectiveness and generalization potential of the proposed method, advancing the underexplored realm of TTA for time series data.
Abstract:Emerging topics in biomedical research are continuously expanding, providing a wealth of information about genes and their function. This rapid proliferation of knowledge presents unprecedented opportunities for scientific discovery and formidable challenges for researchers striving to keep abreast of the latest advancements. One significant challenge is navigating the vast corpus of literature to extract vital gene-related information, a time-consuming and cumbersome task. To enhance the efficiency of this process, it is crucial to address several key challenges: (1) the overwhelming volume of literature, (2) the complexity of gene functions, and (3) the automated integration and generation. In response, we propose GeneSUM, a two-stage automated gene summary extractor utilizing a large language model (LLM). Our approach retrieves and eliminates redundancy of target gene literature and then fine-tunes the LLM to refine and streamline the summarization process. We conducted extensive experiments to validate the efficacy of our proposed framework. The results demonstrate that LLM significantly enhances the integration of gene-specific information, allowing more efficient decision-making in ongoing research.
Abstract:The rapid development of the semiconductor industry and the ubiquity of electronic devices have led to a significant increase in the counterfeiting of integrated circuits (ICs). This poses a major threat to public health, the banking industry, and military defense sectors that are heavily reliant on electronic systems. The electronic physically unclonable functions (PUFs) are widely used to authenticate IC chips at the unit level. However, electronic PUFs are limited by their requirement for IC chips to be in working status for measurements and their sensitivity to environmental variations. This paper proposes using optical PUFs for IC chip authentication by leveraging the unique microscopic structures of the packaging surface of individual IC chips. The proposed method relies on color images of IC chip surfaces acquired using a flatbed scanner or mobile camera. Our initial study reveals that these consumer-grade imaging devices can capture meaningful physical features from IC chip surfaces. We then propose an efficient, lightweight verification scheme leveraging specular-reflection-based features extracted from videos, achieving an equal error rate (EER) of 0.0008. We conducted factor, sensitivity, and ablation studies to understand the detailed characteristics of the proposed lightweight verification scheme. This work is the first to apply the optical PUF principle for the authentication of IC chips and has the potential to significantly enhance the security of the semiconductor supply chain.