Research Papers

In recent years the use of Artificial Intelligence (AI) has become increasingly prevalent in a growing number of fields. As AI systems are being adopted in more high-stakes areas such as medicine and finance, ensuring that they are trustworthy is of increasing importance. A concern that is prominently addressed by the development and application of explainability methods, which are purported to increase trust from its users and wider society. While an increase in trust may be desirable, an analysis of literature from different research fields shows that an exclusive focus on increasing trust may not be warranted. Something which is well exemplified by the recent development in AI chatbots, which while highly coherent tend to make up facts. In this contribution, we investigate the concepts of trust, trustworthiness, and user reliance. In order to foster appropriate reliance on AI we need to prevent both disuse of these systems as well as overtrust. From our analysis of research on interpersonal trust, trust in automation, and trust in (X)AI, we identify the potential merit of the distinction between trust and distrust (in AI). We propose that alongside trust a healthy amount of distrust is of additional value for mitigating disuse and overtrust. We argue that by considering and evaluating both trust and distrust, we can ensure that users can rely appropriately on trustworthy AI, which can both be useful as well as fallible.

Who's Thinking? A Push for Human-Centered Evaluation of LLMs using the XAI Playbook

Teresa Datta, John P. Dickerson

Deployed artificial intelligence (AI) often impacts humans, and there is no one-size-fits-all metric to evaluate these tools. Human-centered evaluation of AI-based systems combines quantitative and qualitative analysis and human input. It has been explored to some depth in the explainable AI (XAI) and human-computer interaction (HCI) communities. Gaps remain, but the basic understanding that humans interact with AI and accompanying explanations, and that humans' needs -- complete with their cognitive biases and quirks -- should be held front and center, is accepted by the community. In this paper, we draw parallels between the relatively mature field of XAI and the rapidly evolving research boom around large language models (LLMs). Accepted evaluative metrics for LLMs are not human-centered. We argue that many of the same paths tread by the XAI community over the past decade will be retread when discussing LLMs. Specifically, we argue that humans' tendencies -- again, complete with their cognitive biases and quirks -- should rest front and center when evaluating deployed LLMs. We outline three developed focus areas of human-centered evaluation of XAI: mental models, use case utility, and cognitive engagement, and we highlight the importance of exploring each of these concepts for LLMs. Our goal is to jumpstart human-centered LLM evaluation.

Blockchain technology has been successfully exploited for deploying new economic applications. However, it has started arousing the interest of malicious actors who deliver scams to deceive honest users and to gain economic advantages. Ponzi schemes are one of the most common scams. Here, we present a classifier for detecting smart Ponzi contracts on Ethereum, which can be used as the backbone for developing detection tools. First, we release a labelled data set with 4422 unique real-world smart contracts to address the problem of the unavailability of labelled data. Then, we show that our classifier outperforms the ones proposed in the literature when considering the AUC as a metric. Finally, we identify a small and effective set of features that ensures a good classification quality and investigate their impacts on the classification using eXplainable AI techniques.

"Even if ..." -- Diverse Semifactual Explanations of Reject

André Artelt, Barbara Hammer

Machine learning based decision making systems applied in safety critical areas require reliable high certainty predictions. For this purpose, the system can be extended by an reject option which allows the system to reject inputs where only a prediction with an unacceptably low certainty would be possible. While being able to reject uncertain samples is important, it is also of importance to be able to explain why a particular sample was rejected. With the ongoing rise of eXplainable AI (XAI), a lot of explanation methodologies for machine learning based systems have been developed -- explaining reject options, however, is still a novel field where only very little prior work exists. In this work, we propose to explain rejects by semifactual explanations, an instance of example-based explanation methods, which them self have not been widely considered in the XAI community yet. We propose a conceptual modeling of semifactual explanations for arbitrary reject options and empirically evaluate a specific implementation on a conformal prediction based reject option.

Artificial Intelligence (AI) is becoming the corner stone of many systems used in our daily lives such as autonomous vehicles, healthcare systems, and unmanned aircraft systems. Machine Learning is a field of AI that enables systems to learn from data and make decisions on new data based on models to achieve a given goal. The stochastic nature of AI models makes verification and validation tasks challenging. Moreover, there are intrinsic biaises in AI models such as reproductibility bias, selection bias (e.g., races, genders, color), and reporting bias (i.e., results that do not reflect the reality). Increasingly, there is also a particular attention to the ethical, legal, and societal impacts of AI. AI systems are difficult to audit and certify because of their black-box nature. They also appear to be vulnerable to threats; AI systems can misbehave when untrusted data are given, making them insecure and unsafe. Governments, national and international organizations have proposed several principles to overcome these challenges but their applications in practice are limited and there are different interpretations in the principles that can bias implementations. In this paper, we examine trust in the context of AI-based systems to understand what it means for an AI system to be trustworthy and identify actions that need to be undertaken to ensure that AI systems are trustworthy. To achieve this goal, we first review existing approaches proposed for ensuring the trustworthiness of AI systems, in order to identify potential conceptual gaps in understanding what trustworthy AI is. Then, we suggest a trust (resp. zero-trust) model for AI and suggest a set of properties that should be satisfied to ensure the trustworthiness of AI systems.

Improving the performance and natural language explanations of deep learning algorithms is a priority for adoption by humans in the real world. In several domains, such as healthcare, such technology has significant potential to reduce the burden on humans by providing quality assistance at scale. However, current methods rely on the traditional pipeline of predicting labels from data, thus completely ignoring the process and guidelines used to obtain the labels. Furthermore, post hoc explanations on the data to label prediction using explainable AI (XAI) models, while satisfactory to computer scientists, leave much to be desired to the end-users due to lacking explanations of the process in terms of human-understandable concepts. We \textit{introduce}, \textit{formalize}, and \textit{develop} a novel Artificial Intelligence (A) paradigm -- Process Knowledge-infused Learning (PK-iL). PK-iL utilizes a structured process knowledge that explicitly explains the underlying prediction process that makes sense to end-users. The qualitative human evaluation confirms through a annotator agreement of 0.72, that humans are understand explanations for the predictions. PK-iL also performs competitively with the state-of-the-art (SOTA) baselines.

A novel explainable AI method called CLEAR Image is introduced in this paper. CLEAR Image is based on the view that a satisfactory explanation should be contrastive, counterfactual and measurable. CLEAR Image explains an image's classification probability by contrasting the image with a corresponding image generated automatically via adversarial learning. This enables both salient segmentation and perturbations that faithfully determine each segment's importance. CLEAR Image was successfully applied to a medical imaging case study where it outperformed methods such as Grad-CAM and LIME by an average of 27% using a novel pointing game metric. CLEAR Image excels in identifying cases of "causal overdetermination" where there are multiple patches in an image, any one of which is sufficient by itself to cause the classification probability to be close to one.

Cybersecurity is a domain where there is constant change in patterns of attack, and we need ways to make our Cybersecurity systems more adaptive to handle new attacks and categorize for appropriate action. We present a novel approach to handle the alarm flooding problem faced by Cybersecurity systems like security information and event management (SIEM) and intrusion detection (IDS). We apply a zero-shot learning method to machine learning (ML) by leveraging explanations for predictions of anomalies generated by a ML model. This approach has huge potential to auto detect alarm labels generated in SIEM and associate them with specific attack types. In this approach, without any prior knowledge of attack, we try to identify it, decipher the features that contribute to classification and try to bucketize the attack in a specific category - using explainable AI. Explanations give us measurable factors as to what features influence the prediction of a cyber-attack and to what degree. These explanations generated based on game-theory are used to allocate credit to specific features based on their influence on a specific prediction. Using this allocation of credit, we propose a novel zero-shot approach to categorize novel attacks into specific new classes based on feature influence. The resulting system demonstrated will get good at separating attack traffic from normal flow and auto-generate a label for attacks based on features that contribute to the attack. These auto-generated labels can be presented to SIEM analyst and are intuitive enough to figure out the nature of attack. We apply this approach to a network flow dataset and demonstrate results for specific attack types like ip sweep, denial of service, remote to local, etc. Paper was presented at the first Conference on Deployable AI at IIT-Madras in June 2021.

A Scalable Two Stage Approach to Computing Optimal Decision Sets

Alexey Ignatiev, Edward Lam, Peter J. Stuckey +1

Machine learning (ML) is ubiquitous in modern life. Since it is being deployed in technologies that affect our privacy and safety, it is often crucial to understand the reasoning behind its decisions, warranting the need for explainable AI. Rule-based models, such as decision trees, decision lists, and decision sets, are conventionally deemed to be the most interpretable. Recent work uses propositional satisfiability (SAT) solving (and its optimization variants) to generate minimum-size decision sets. Motivated by limited practical scalability of these earlier methods, this paper proposes a novel approach to learn minimum-size decision sets by enumerating individual rules of the target decision set independently of each other, and then solving a set cover problem to select a subset of rules. The approach makes use of modern maximum satisfiability and integer linear programming technologies. Experiments on a wide range of publicly available datasets demonstrate the advantage of the new approach over the state of the art in SAT-based decision set learning.

Remarkable success of modern image-based AI methods and the resulting interest in their applications in critical decision-making processes has led to a surge in efforts to make such intelligent systems transparent and explainable. The need for explainable AI does not stem only from ethical and moral grounds but also from stricter legislation around the world mandating clear and justifiable explanations of any decision taken or assisted by AI. Especially in the medical context where Computer-Aided Diagnosis can have a direct influence on the treatment and well-being of patients, transparency is of utmost importance for safe transition from lab research to real world clinical practice. This paper provides a comprehensive overview of current state-of-the-art in explaining and interpreting Deep Learning based algorithms in applications of medical research and diagnosis of diseases. We discuss early achievements in development of explainable AI for validation of known disease criteria, exploration of new potential biomarkers, as well as methods for the subsequent correction of AI models. Various explanation methods like visual, textual, post-hoc, ante-hoc, local and global have been thoroughly and critically analyzed. Subsequently, we also highlight some of the remaining challenges that stand in the way of practical applications of AI as a clinical decision support tool and provide recommendations for the direction of future research.

Identifying anomalies in the fuel consumption of the vehicles of a fleet is a crucial aspect for optimizing consumption and reduce costs. However, this information alone is insufficient, since fleet operators need to know the causes behind anomalous fuel consumption. We combine unsupervised anomaly detection techniques, domain knowledge and interpretable Machine Learning models for explaining potential causes of abnormal fuel consumption in terms of feature relevance. The explanations are used for generating recommendations about fuel optimization, that are adjusted according to two different user profiles: fleet managers and fleet operators. Results are evaluated over real-world data from telematics devices connected to diesel and petrol vehicles from different types of industrial fleets. We measure the proposal regarding model performance, and using Explainable AI metrics that compare the explanations in terms of representativeness, fidelity, stability, contrastiveness and consistency with apriori beliefs. The potential fuel reductions that can be achieved is round 35%.

From What to Why: A Multi-Agent System for Evidence-based Chemical Reaction Condition Reasoning

Cheng Yang, Jiaxuan Lu, Haiyuan Wan +2

The chemical reaction recommendation is to select proper reaction condition parameters for chemical reactions, which is pivotal to accelerating chemical science. With the rapid development of large language models (LLMs), there is growing interest in leveraging their reasoning and planning capabilities for reaction condition recommendation. Despite their success, existing methods rarely explain the rationale behind the recommended reaction conditions, limiting their utility in high-stakes scientific workflows. In this work, we propose ChemMAS, a multi-agent system that reframes condition prediction as an evidence-based reasoning task. ChemMAS decomposes the task into mechanistic grounding, multi-channel recall, constraint-aware agentic debate, and rationale aggregation. Each decision is backed by interpretable justifications grounded in chemical knowledge and retrieved precedents. Experiments show that ChemMAS achieves 20-35% gains over domain-specific baselines and outperforms general-purpose LLMs by 10-15% in Top-1 accuracy, while offering falsifiable, human-trustable rationales, which establishes a new paradigm for explainable AI in scientific discovery.