Attribution maps are one of the most established tools to explain the functioning of computer vision models. They assign importance scores to input features, indicating how relevant each feature is for the prediction of a deep neural network. While much research has gone into proposing new attribution methods, their proper evaluation remains a difficult challenge. In this work, we propose a novel evaluation protocol that overcomes two fundamental limitations of the widely used incremental-deletion protocol, i.e., the out-of-domain issue and lacking inter-model comparisons. This allows us to evaluate 23 attribution methods and how different design choices of popular vision backbones affect their attribution quality. We find that intrinsically explainable models outperform standard models and that raw attribution values exhibit a higher attribution quality than what is known from previous work. Further, we show consistent changes in the attribution quality when varying the network design, indicating that some standard design choices promote attribution quality.
Prototypical Learning is based on the idea that there is a point (which we call prototype) around which the embeddings of a class are clustered. It has shown promising results in scenarios with little labeled data or to design explainable models. Typically, prototypes are either defined as the average of the embeddings of a class or are designed to be trainable. In this work, we propose to predefine prototypes following human-specified criteria, which simplify the training pipeline and brings different advantages. Specifically, in this work we explore two of these advantages: increasing the inter-class separability of embeddings and disentangling embeddings with respect to different variance factors, which can translate into the possibility of having explainable predictions. Finally, we propose different experiments that help to understand our proposal and demonstrate empirically the mentioned advantages.
This work aims to develop explainable models to predict the interactions between bitter molecules and TAS2Rs via traditional machine-learning and deep-learning methods starting from experimentally validated data. Bitterness is one of the five basic taste modalities that can be perceived by humans and other mammals. It is mediated by a family of G protein-coupled receptors (GPCRs), namely taste receptor type 2 (TAS2R) or bitter taste receptors. Furthermore, TAS2Rs participate in numerous functions beyond the gustatory system and have implications for various diseases due to their expression in various extra-oral tissues. For this reason, predicting the specific ligand-TAS2Rs interactions can be useful not only in the field of taste perception but also in the broader context of drug design. Considering that in-vitro screening of potential TAS2R ligands is expensive and time-consuming, machine learning (ML) and deep learning (DL) emerged as powerful tools to assist in the selection of ligands and targets for experimental studies and enhance our understanding of bitter receptor roles. In this context, ML and DL models developed in this work are both characterized by high performance and easy applicability. Furthermore, they can be synergistically integrated to enhance model explainability and facilitate the interpretation of results. Hence, the presented models promote a comprehensive understanding of the molecular characteristics of bitter compounds and the design of novel bitterants tailored to target specific TAS2Rs of interest.
Time-series data are fundamentally important for many critical domains such as healthcare, finance, and climate, where explainable models are necessary for safe automated decision making. To develop explainable artificial intelligence in these domains therefore implies explaining salient information in the time series. Current methods for obtaining saliency maps assume localized information in the raw input space. In this paper, we argue that the salient information of a number of time series is more likely to be localized in the frequency domain. We propose FreqRISE, which uses masking-based methods to produce explanations in the frequency and time-frequency domain, and outperforms strong baselines across a number of tasks. The source code is available here: \url{https://github.com/theabrusch/FreqRISE}.
Prototypical networks aim to build intrinsically explainable models based on the linear summation of concepts. Concepts are coherent entities that we, as humans, can recognize and associate with a certain object or entity. However, important challenges remain in the fair evaluation of explanation quality provided by these models. This work first proposes an extensive set of quantitative and qualitative metrics which allow to identify drawbacks in current prototypical networks. It then introduces a novel architecture which provides compact explanations, outperforming current prototypical models in terms of explanation quality. Overall, the proposed architecture demonstrates how frozen pre-trained ViT backbones can be effectively turned into prototypical models for both general and domain-specific tasks, in our case biomedical image classifiers. Code is available at \url{https://github.com/hturbe/protosvit}.
Image classification is a primary task in data analysis where explainable models are crucially demanded in various applications. Although amounts of methods have been proposed to obtain explainable knowledge from the black-box classifiers, these approaches lack the efficiency of extracting global knowledge regarding the classification task, thus is vulnerable to local traps and often leads to poor accuracy. In this study, we propose a generative explanation model that combines the advantages of global and local knowledge for explaining image classifiers. We develop a representation learning method called class association embedding (CAE), which encodes each sample into a pair of separated class-associated and individual codes. Recombining the individual code of a given sample with altered class-associated code leads to a synthetic real-looking sample with preserved individual characters but modified class-associated features and possibly flipped class assignments. A building-block coherency feature extraction algorithm is proposed that efficiently separates class-associated features from individual ones. The extracted feature space forms a low-dimensional manifold that visualizes the classification decision patterns. Explanation on each individual sample can be then achieved in a counter-factual generation manner which continuously modifies the sample in one direction, by shifting its class-associated code along a guided path, until its classification outcome is changed. We compare our method with state-of-the-art ones on explaining image classification tasks in the form of saliency maps, demonstrating that our method achieves higher accuracies. The code is available at https://github.com/xrt11/XAI-CODE.
Society's capacity for algorithmic problem-solving has never been greater. Artificial Intelligence is now applied across more domains than ever, a consequence of powerful abstractions, abundant data, and accessible software. As capabilities have expanded, so have risks, with models often deployed without fully understanding their potential impacts. Interpretable and interactive machine learning aims to make complex models more transparent and controllable, enhancing user agency. This review synthesizes key principles from the growing literature in this field. We first introduce precise vocabulary for discussing interpretability, like the distinction between glass box and explainable models. We then explore connections to classical statistical and design principles, like parsimony and the gulfs of interaction. Basic explainability techniques -- including learned embeddings, integrated gradients, and concept bottlenecks -- are illustrated with a simple case study. We also review criteria for objectively evaluating interpretability approaches. Throughout, we underscore the importance of considering audience goals when designing interactive data-driven systems. Finally, we outline open challenges and discuss the potential role of data science in addressing them. Code to reproduce all examples can be found at https://go.wisc.edu/3k1ewe.
The rapid advancement of Large Language Models (LLMs) has opened up new opportunities for leveraging artificial intelligence in various domains, including cybersecurity. As the volume and sophistication of cyber threats continue to grow, there is an increasing need for intelligent systems that can automatically detect vulnerabilities, analyze malware, and respond to attacks. In this survey, we conduct a comprehensive review of the literature on the application of LLMs in cybersecurity (LLM4Security). By comprehensively collecting over 30K relevant papers and systematically analyzing 127 papers from top security and software engineering venues, we aim to provide a holistic view of how LLMs are being used to solve diverse problems across the cybersecurity domain. Through our analysis, we identify several key findings. First, we observe that LLMs are being applied to a wide range of cybersecurity tasks, including vulnerability detection, malware analysis, network intrusion detection, and phishing detection. Second, we find that the datasets used for training and evaluating LLMs in these tasks are often limited in size and diversity, highlighting the need for more comprehensive and representative datasets. Third, we identify several promising techniques for adapting LLMs to specific cybersecurity domains, such as fine-tuning, transfer learning, and domain-specific pre-training. Finally, we discuss the main challenges and opportunities for future research in LLM4Security, including the need for more interpretable and explainable models, the importance of addressing data privacy and security concerns, and the potential for leveraging LLMs for proactive defense and threat hunting. Overall, our survey provides a comprehensive overview of the current state-of-the-art in LLM4Security and identifies several promising directions for future research.
Explainable Recommendation has been gaining attention over the last few years in industry and academia. Explanations provided along with recommendations in a recommender system framework have many uses: particularly reasoning why a suggestion is provided and how well an item aligns with a user's personalized preferences. Hence, explanations can play a huge role in influencing users to purchase products. However, the reliability of the explanations under varying scenarios has not been strictly verified from an empirical perspective. Unreliable explanations can bear strong consequences such as attackers leveraging explanations for manipulating and tempting users to purchase target items that the attackers would want to promote. In this paper, we study the vulnerability of existent feature-oriented explainable recommenders, particularly analyzing their performance under different levels of external noises added into model parameters. We conducted experiments by analyzing three important state-of-the-art (SOTA) explainable recommenders when trained on two widely used e-commerce based recommendation datasets of different scales. We observe that all the explainable models are vulnerable to increased noise levels. Experimental results verify our hypothesis that the ability to explain recommendations does decrease along with increasing noise levels and particularly adversarial noise does contribute to a much stronger decrease. Our study presents an empirical verification on the topic of robust explanations in recommender systems which can be extended to different types of explainable recommenders in RS.
Deep learning models have significantly advanced acoustic bird monitoring by being able to recognize numerous bird species based on their vocalizations. However, traditional deep learning models are black boxes that provide no insight into their underlying computations, limiting their usefulness to ornithologists and machine learning engineers. Explainable models could facilitate debugging, knowledge discovery, trust, and interdisciplinary collaboration. This study introduces AudioProtoPNet, an adaptation of the Prototypical Part Network (ProtoPNet) for multi-label bird sound classification. It is an inherently interpretable model that uses a ConvNeXt backbone to extract embeddings, with the classification layer replaced by a prototype learning classifier trained on these embeddings. The classifier learns prototypical patterns of each bird species' vocalizations from spectrograms of training instances. During inference, audio recordings are classified by comparing them to the learned prototypes in the embedding space, providing explanations for the model's decisions and insights into the most informative embeddings of each bird species. The model was trained on the BirdSet training dataset, which consists of 9,734 bird species and over 6,800 hours of recordings. Its performance was evaluated on the seven test datasets of BirdSet, covering different geographical regions. AudioProtoPNet outperformed the state-of-the-art model Perch, achieving an average AUROC of 0.90 and a cmAP of 0.42, with relative improvements of 7.1% and 16.7% over Perch, respectively. These results demonstrate that even for the challenging task of multi-label bird sound classification, it is possible to develop powerful yet inherently interpretable deep learning models that provide valuable insights for ornithologists and machine learning engineers.
Fairness of machine learning models in healthcare has drawn increasing attention from clinicians, researchers, and even at the highest level of government. On the other hand, the importance of developing and deploying interpretable or explainable models has been demonstrated, and is essential to increasing the trustworthiness and likelihood of adoption of these models. The objective of this study was to develop and implement a framework for addressing both these issues - fairness and explainability. We propose an explainable fairness framework, first developing a model with optimized performance, and then using an in-processing approach to mitigate model biases relative to the sensitive attributes of race and sex. We then explore and visualize explanations of the model changes that lead to the fairness enhancement process through exploring the changes in importance of features. Our resulting-fairness enhanced models retain high sensitivity with improved fairness and explanations of the fairness-enhancement that may provide helpful insights for healthcare providers to guide clinical decision-making and resource allocation.
Deep learning models have achieved high performance in medical applications, however, their adoption in clinical practice is hindered due to their black-box nature. Self-explainable models, like prototype-based models, can be especially beneficial as they are interpretable by design. However, if the learnt prototypes are of low quality then the prototype-based models are as good as black-box. Having high quality prototypes is a pre-requisite for a truly interpretable model. In this work, we propose a prototype evaluation framework for coherence (PEF-C) for quantitatively evaluating the quality of the prototypes based on domain knowledge. We show the use of PEF-C in the context of breast cancer prediction using mammography. Existing works on prototype-based models on breast cancer prediction using mammography have focused on improving the classification performance of prototype-based models compared to black-box models and have evaluated prototype quality through anecdotal evidence. We are the first to go beyond anecdotal evidence and evaluate the quality of the mammography prototypes systematically using our PEF-C. Specifically, we apply three state-of-the-art prototype-based models, ProtoPNet, BRAIxProtoPNet++ and PIP-Net on mammography images for breast cancer prediction and evaluate these models w.r.t. i) classification performance, and ii) quality of the prototypes, on three public datasets. Our results show that prototype-based models are competitive with black-box models in terms of classification performance, and achieve a higher score in detecting ROIs. However, the quality of the prototypes are not yet sufficient and can be improved in aspects of relevance, purity and learning a variety of prototypes. We call the XAI community to systematically evaluate the quality of the prototypes to check their true usability in high stake decisions and improve such models further.
Recent breakthroughs in machine and deep learning (ML and DL) research have provided excellent tools for leveraging enormous amounts of data and optimizing huge models with millions of parameters to obtain accurate networks for image processing. These developments open up tremendous opportunities for using artificial intelligence (AI) in the automation and human assisted AI industry. However, as more and more models are deployed and used in practice, many challenges have emerged. This thesis presents various approaches that address robustness and explainability challenges for using ML and DL in practice. Robustness and reliability are the critical components of any model before certification and deployment in practice. Deep convolutional neural networks (CNNs) exhibit vulnerability to transformations of their inputs, such as rotation and scaling, or intentional manipulations as described in the adversarial attack literature. In addition, building trust in AI-based models requires a better understanding of current models and developing methods that are more explainable and interpretable a priori. This thesis presents developments in computer vision models' robustness and explainability. Furthermore, this thesis offers an example of using vision models' feature response visualization (models' interpretations) to improve robustness despite interpretability and robustness being seemingly unrelated in the related research. Besides methodological developments for robust and explainable vision models, a key message of this thesis is introducing model interpretation techniques as a tool for understanding vision models and improving their design and robustness. In addition to the theoretical developments, this thesis demonstrates several applications of ML and DL in different contexts, such as medical imaging and affective computing.
Prototypical self-explainable classifiers have emerged to meet the growing demand for interpretable AI systems. These classifiers are designed to incorporate high transparency in their decisions by basing inference on similarity with learned prototypical objects. While these models are designed with diversity in mind, the learned prototypes often do not sufficiently represent all aspects of the input distribution, particularly those in low density regions. Such lack of sufficient data representation, known as representation bias, has been associated with various detrimental properties related to machine learning diversity and fairness. In light of this, we introduce pantypes, a new family of prototypical objects designed to capture the full diversity of the input distribution through a sparse set of objects. We show that pantypes can empower prototypical self-explainable models by occupying divergent regions of the latent space and thus fostering high diversity, interpretability and fairness.
Some visual recognition tasks are more challenging then the general ones as they require professional categories of images. The previous efforts, like fine-grained vision classification, primarily introduced models tailored to specific tasks, like identifying bird species or car brands with limited scalability and generalizability. This paper aims to design a scalable and explainable model to solve Professional Visual Recognition tasks from a generic standpoint. We introduce a biologically-inspired structure named Pro-NeXt and reveal that Pro-NeXt exhibits substantial generalizability across diverse professional fields such as fashion, medicine, and art-areas previously considered disparate. Our basic-sized Pro-NeXt-B surpasses all preceding task-specific models across 12 distinct datasets within 5 diverse domains. Furthermore, we find its good scaling property that scaling up Pro-NeXt in depth and width with increasing GFlops can consistently enhances its accuracy. Beyond scalability and adaptability, the intermediate features of Pro-NeXt achieve reliable object detection and segmentation performance without extra training, highlighting its solid explainability. We will release the code to foster further research in this area.
Deep Neural Networks (DNNs) stand out as one of the most prominent approaches within the Machine Learning (ML) domain. The efficacy of DNNs has surged alongside recent increases in computational capacity, allowing these approaches to scale to significant complexities for addressing predictive challenges in big data. However, as the complexity of DNN models rises, interpretability diminishes. In response to this challenge, explainable models such as Adversarial Gradient Integration (AGI) leverage path-based gradients provided by DNNs to elucidate their decisions. Yet the performance of path-based explainers can be compromised when gradients exhibit irregularities during out-of-distribution path traversal. In this context, we introduce Quantified Uncertainty Counterfactual Explanations (QUCE), a method designed to mitigate out-of-distribution traversal by minimizing path uncertainty. QUCE not only quantifies uncertainty when presenting explanations but also generates more certain counterfactual examples. We showcase the performance of the QUCE method by comparing it with competing methods for both path-based explanations and generative counterfactual examples.
Deep neural networks have revolutionized many fields, but their black-box nature also occasionally prevents their wider adoption in fields such as healthcare and finance, where interpretable and explainable models are required. The recent development of Neural Additive Models (NAMs) is a significant step in the direction of interpretable deep learning for tabular datasets. In this paper, we propose a new subclass of NAMs that use a single-layer neural network construction of the Gaussian process via random Fourier features, which we call Gaussian Process Neural Additive Models (GP-NAM). GP-NAMs have the advantage of a convex objective function and number of trainable parameters that grows linearly with feature dimensionality. It suffers no loss in performance compared to deeper NAM approaches because GPs are well-suited for learning complex non-parametric univariate functions. We demonstrate the performance of GP-NAM on several tabular datasets, showing that it achieves comparable or better performance in both classification and regression tasks with a large reduction in the number of parameters.
This paper presents a novel concept learning framework for enhancing model interpretability and performance in visual classification tasks. Our approach appends an unsupervised explanation generator to the primary classifier network and makes use of adversarial training. During training, the explanation module is optimized to extract visual concepts from the classifier's latent representations, while the GAN-based module aims to discriminate images generated from concepts, from true images. This joint training scheme enables the model to implicitly align its internally learned concepts with human-interpretable visual properties. Comprehensive experiments demonstrate the robustness of our approach, while producing coherent concept activations. We analyse the learned concepts, showing their semantic concordance with object parts and visual attributes. We also study how perturbations in the adversarial training protocol impact both classification and concept acquisition. In summary, this work presents a significant step towards building inherently interpretable deep vision models with task-aligned concept representations - a key enabler for developing trustworthy AI for real-world perception tasks.
In Federated Learning, clients train models on local data and send updates to a central server, which aggregates them into a global model using a fusion algorithm. This collaborative yet privacy-preserving training comes at a cost. FL developers face significant challenges in attributing global model predictions to specific clients. Localizing responsible clients is a crucial step towards (a) excluding clients primarily responsible for incorrect predictions and (b) encouraging clients who contributed high-quality models to continue participating in the future. Existing ML debugging approaches are inherently inapplicable as they are designed for single-model, centralized training. We introduce TraceFL, a fine-grained neuron provenance capturing mechanism that identifies clients responsible for a global model's prediction by tracking the flow of information from individual clients to the global model. Since inference on different inputs activates a different set of neurons of the global model, TraceFL dynamically quantifies the significance of the global model's neurons in a given prediction, identifying the most crucial neurons in the global model. It then maps them to the corresponding neurons in every participating client to determine each client's contribution, ultimately localizing the responsible client. We evaluate TraceFL on six datasets, including two real-world medical imaging datasets and four neural networks, including advanced models such as GPT. TraceFL achieves 99% accuracy in localizing the responsible client in FL tasks spanning both image and text classification tasks. At a time when state-of-the-artML debugging approaches are mostly domain-specific (e.g., image classification only), TraceFL is the first technique to enable highly accurate automated reasoning across a wide range of FL applications.
Explainability is key to enhancing artificial intelligence's trustworthiness in medicine. However, several issues remain concerning the actual benefit of explainable models for clinical decision-making. Firstly, there is a lack of consensus on an evaluation framework for quantitatively assessing the practical benefits that effective explainability should provide to practitioners. Secondly, physician-centered evaluations of explainability are limited. Thirdly, the utility of built-in attention mechanisms in transformer-based models as an explainability technique is unclear. We hypothesize that superior attention maps should align with the information that physicians focus on, potentially reducing prediction uncertainty and increasing model reliability. We employed a multimodal transformer to predict lymph node metastasis in rectal cancer using clinical data and magnetic resonance imaging, exploring how well attention maps, visualized through a state-of-the-art technique, can achieve agreement with physician understanding. We estimated the model's uncertainty using meta-level information like prediction probability variance and quantified agreement. Our assessment of whether this agreement reduces uncertainty found no significant effect. In conclusion, this case study did not confirm the anticipated benefit of attention maps in enhancing model reliability. Superficial explanations could do more harm than good by misleading physicians into relying on uncertain predictions, suggesting that the current state of attention mechanisms in explainability should not be overestimated. Identifying explainability mechanisms truly beneficial for clinical decision-making remains essential.