We introduce an enumeration-free method based on mathematical programming to precisely characterize various properties such as fairness or sparsity within the set of "good models", known as Rashomon set. This approach is generically applicable to any hypothesis class, provided that a mathematical formulation of the model learning task exists. It offers a structured framework to define the notion of business necessity and evaluate how fairness can be improved or degraded towards a specific protected group, while remaining within the Rashomon set and maintaining any desired sparsity level. We apply our approach to two hypothesis classes: scoring systems and decision diagrams, leveraging recent mathematical programming formulations for training such models. As seen in our experiments, the method comprehensively and certifiably quantifies trade-offs between predictive performance, sparsity, and fairness. We observe that a wide range of fairness values are attainable, ranging from highly favorable to significantly unfavorable for a protected group, while staying within less than 1% of the best possible training accuracy for the hypothesis class. Additionally, we observe that sparsity constraints limit these trade-offs and may disproportionately harm specific subgroups. As we evidenced, thoroughly characterizing the tensions between these key aspects is critical for an informed and accountable selection of models.

Dense contrastive representation learning (DCRL) has greatly improved the learning efficiency for image-dense prediction tasks, showing its great potential to reduce the large costs of medical image collection and dense annotation. However, the properties of medical images make unreliable correspondence discovery, bringing an open problem of large-scale false positive and negative (FP&N) pairs in DCRL. In this paper, we propose GEoMetric vIsual deNse sImilarity (GEMINI) learning which embeds the homeomorphism prior to DCRL and enables a reliable correspondence discovery for effective dense contrast. We propose a deformable homeomorphism learning (DHL) which models the homeomorphism of medical images and learns to estimate a deformable mapping to predict the pixels' correspondence under topological preservation. It effectively reduces the searching space of pairing and drives an implicit and soft learning of negative pairs via a gradient. We also propose a geometric semantic similarity (GSS) which extracts semantic information in features to measure the alignment degree for the correspondence learning. It will promote the learning efficiency and performance of deformation, constructing positive pairs reliably. We implement two practical variants on two typical representation learning tasks in our experiments. Our promising results on seven datasets which outperform the existing methods show our great superiority. We will release our code on a companion link: https://github.com/YutingHe-list/GEMINI.

Multi-sample aggregation strategies, such as majority voting and best-of-N sampling, are widely used in contemporary large language models (LLMs) to enhance predictive accuracy across various tasks. A key challenge in this process is temperature selection, which significantly impacts model performance. Existing approaches either rely on a fixed default temperature or require labeled validation data for tuning, which are often scarce and difficult to obtain. This paper addresses the challenge of automatically identifying the (near)-optimal temperature for different LLMs using multi-sample aggregation strategies, without relying on task-specific validation data. We provide a comprehensive analysis of temperature's role in performance optimization, considering variations in model architectures, datasets, task types, model sizes, and predictive accuracy. Furthermore, we propose a novel entropy-based metric for automated temperature optimization, which consistently outperforms fixed-temperature baselines. Additionally, we incorporate a stochastic process model to enhance interpretability, offering deeper insights into the relationship between temperature and model performance.

Phishing has long been a common tactic used by cybercriminals and continues to pose a significant threat in today's digital world. When phishing attacks become more advanced and sophisticated, there is an increasing need for effective methods to detect and prevent them. To address the challenging problem of detecting phishing emails, researchers have developed numerous solutions, in particular those based on machine learning (ML) algorithms. In this work, we take steps to study the efficacy of large language models (LLMs) in detecting phishing emails. The experiments show that the LLM achieves a high accuracy rate at high precision; importantly, it also provides interpretable evidence for the decisions.

Precision-Recall analysis abounds in applications of binary classification where true negatives do not add value and hence should not affect assessment of the classifier's performance. Perhaps inspired by the many advantages of receiver operating characteristic (ROC) curves and the area under such curves for accuracy-based performance assessment, many researchers have taken to report Precision-Recall (PR) curves and associated areas as performance metric. We demonstrate in this paper that this practice is fraught with difficulties, mainly because of incoherent scale assumptions -- e.g., the area under a PR curve takes the arithmetic mean of precision values whereas the F_{\beta} score applies the harmonic mean. We show how to fix this by plotting PR curves in a different coordinate system, and demonstrate that the new Precision-Recall-Gain curves inherit all key advantages of ROC curves. In particular, the area under Precision-Recall-Gain curves conveys an expected F_1 score on a harmonic scale, and the convex hull of a Precision-Recall-Gain curve allows us to calibrate the classifier's scores so as to determine, for each operating point on the convex hull, the interval of \beta values for which the point optimises F_{\beta} .

Referral workflow inefficiencies, including misaligned referrals and delays, contribute to suboptimal patient outcomes and higher healthcare costs. In this study, we investigated the possibility of predicting procedural needs based on primary care diagnostic entries, thereby improving referral accuracy, streamlining workflows, and providing better care to patients. A de-identified dataset of 2,086 orthopedic referrals from the University of Texas Health at Tyler was analyzed using machine learning models built on Base General Embeddings (BGE) for semantic extraction. To ensure real-world applicability, noise tolerance experiments were conducted, and oversampling techniques were employed to mitigate class imbalance. The selected optimum and parsimonious embedding model demonstrated high predictive accuracy (ROC-AUC: 0.874, Matthews Correlation Coefficient (MCC): 0.540), effectively distinguishing patients requiring surgical intervention. Dimensionality reduction techniques confirmed the model's ability to capture meaningful clinical relationships. A threshold sensitivity analysis identified an optimal decision threshold (0.30) to balance precision and recall, maximizing referral efficiency. In the predictive modeling analysis, the procedure rate increased from 11.27% to an optimal 60.1%, representing a 433% improvement with significant implications for operational efficiency and healthcare revenue. The results of our study demonstrate that referral optimization can enhance primary and surgical care integration. Through this approach, precise and timely predictions of procedural requirements can be made, thereby minimizing delays, improving surgical planning, and reducing administrative burdens. In addition, the findings highlight the potential of clinical decision support as a scalable solution for improving patient outcomes and the efficiency of the healthcare system.

Alzheimer's Disease (AD) affects over 55 million people globally, yet the key genetic contributors remain poorly understood. Leveraging recent advancements in genomic foundation models, we present the innovative Reverse-Gene-Finder technology, a ground-breaking neuron-to-gene-token backtracking approach in a neural network architecture to elucidate the novel causal genetic biomarkers driving AD onset. Reverse-Gene-Finder comprises three key innovations. Firstly, we exploit the observation that genes with the highest probability of causing AD, defined as the most causal genes (MCGs), must have the highest probability of activating those neurons with the highest probability of causing AD, defined as the most causal neurons (MCNs). Secondly, we utilize a gene token representation at the input layer to allow each gene (known or novel to AD) to be represented as a discrete and unique entity in the input space. Lastly, in contrast to the existing neural network architectures, which track neuron activations from the input layer to the output layer in a feed-forward manner, we develop an innovative backtracking method to track backwards from the MCNs to the input layer, identifying the Most Causal Tokens (MCTs) and the corresponding MCGs. Reverse-Gene-Finder is highly interpretable, generalizable, and adaptable, providing a promising avenue for application in other disease scenarios.

In the growing terrain of the Internet of Things (IoT), it is vital that networks are secure to protect against a range of cyber threats. Based on the strong machine learning framework, this study proposes novel lightweight ensemble approaches for improving multi-class attack detection of IoT devices. Using the large CICIoT 2023 dataset with 34 attack types distributed amongst 10 attack categories, we systematically evaluated the performance of a wide variety of modern machine learning methods with the aim of establishing the best-performing algorithmic choice to secure IoT applications. In particular, we explore approaches based on ML classifiers to tackle the biocharges characterized by the challenging and heterogeneous nature of attack vectors in IoT environments. The method that performed best was the Decision Tree, with an accuracy of 99.56% and an F1 score of 99.62%, showing that this model is capable of accurately and reliably detecting threats.The Random Forest model was the next best-performing model with 98.22% and an F1 score of 98.24%, suggesting that ML methods are quite effective in a situation of high-dimensional data. Our results highlight the potential for using ML classifiers in bolstering security for IoT devices and also serve as motivations for future investigations targeting scalable, keystroke-based attack detection systems. We believe that our method provides a new path to develop complex machine learning algorithms for low-resource IoT devices, balancing both accuracy and time efficiency needs. In summary, these contributions enrich the state of the art of the IoT security literature, laying down solid ground and guidelines for the deployment of smart, adaptive security in IoT settings.

Speculative Decoding (SD) is a recently proposed technique for faster inference using Large Language Models (LLMs). SD operates by using a smaller draft LLM for autoregressively generating a sequence of tokens and a larger target LLM for parallel verification to ensure statistical consistency. However, periodic parallel calls to the target LLM for verification prevent SD from achieving even lower latencies. We propose SPRINTER, which utilizes a low-complexity verifier trained to predict if tokens generated from a draft LLM would be accepted by the target LLM. By performing approximate sequential verification, SPRINTER does not require verification by the target LLM and is only invoked when a token is deemed unacceptable. This leads to reducing the number of calls to the larger LLM and can achieve further speedups. We present a theoretical analysis of SPRINTER, examining the statistical properties of the generated tokens, as well as the expected reduction in latency as a function of the verifier. We evaluate SPRINTER on several datasets and model pairs, demonstrating that approximate verification can still maintain high quality generation while further reducing latency. For instance, on Wiki-Summaries dataset, SPRINTER achieves a 1.7x latency speedup and requires 8.3x fewer flops relative to SD, while still generating high-quality responses when using GPT2-Small and GPT2-XL as draft/target models.

Testing and debugging quantum software pose significant challenges due to the inherent complexities of quantum mechanics, such as superposition and entanglement. One challenge is indeterminacy, a fundamental characteristic of quantum systems, which increases the likelihood of flaky tests in quantum programs. To the best of our knowledge, there is a lack of comprehensive studies on quantum flakiness in the existing literature. In this paper, we present a novel machine learning platform that leverages multiple machine learning models to automatically detect flaky tests in quantum programs. Our evaluation shows that the extreme gradient boosting and decision tree-based models outperform other models (i.e., random forest, k-nearest neighbors, and support vector machine), achieving the highest F1 score and Matthews Correlation Coefficient in a balanced dataset and an imbalanced dataset, respectively. Furthermore, we expand the currently limited dataset for researchers interested in quantum flaky tests. In the future, we plan to explore the development of unsupervised learning techniques to detect and classify quantum flaky tests more effectively. These advancements aim to improve the reliability and robustness of quantum software testing.