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Multiclass threshold-based classification and model evaluation

arXiv.org Artificial Intelligence

In this paper, we introduce a threshold-based framework for multiclass classification that generalizes the standard argmax rule. This is done by replacing the probabilistic interpretation of softmax outputs with a geometric one on the multidimensional simplex, where the classification depends on a multidimensional threshold. This change of perspective enables for any trained classification network an \textit{a posteriori} optimization of the classification score by means of threshold tuning, as usually carried out in the binary setting, thus allowing for a further refinement of the prediction capability of any network. Our experiments show indeed that multidimensional threshold tuning yields performance improvements across various networks and datasets. Moreover, we derive a multiclass ROC analysis based on \emph{ROC clouds} -- the attainable (FPR,TPR) operating points induced by a single multiclass threshold -- and summarize them via a \emph{Distance From Point} (DFP) score to $(0,1)$. This yields a coherent alternative to standard One-vs-Rest (OvR) curves and aligns with the observed tuning gains.


The Rapid Growth of AI Foundation Model Usage in Science

arXiv.org Artificial Intelligence

We present the first large-scale analysis of AI foundation model usage in science - not just citations or keywords. We find that adoption has grown rapidly, at nearly-exponential rates, with the highest uptake in Linguistics, Computer Science, and Engineering. Vision models are the most used foundation models in science, although language models' share is growing. Open-weight models dominate. As AI builders increase the parameter counts of their models, scientists have followed suit but at a much slower rate: in 2013, the median foundation model built was 7.7x larger than the median one adopted in science, by 2024 this had jumped to 26x. We also present suggestive evidence that scientists' use of these smaller models may be limiting them from getting the full benefits of AI-enabled science, as papers that use larger models appear in higher-impact journals and accrue more citations.


An Optimized Machine Learning Classifier for Detecting Fake Reviews Using Extracted Features

arXiv.org Artificial Intelligence

It is well known that fraudulent reviews cast doubt on the legitimacy and dependability of online purchases. The most recent development that leads customers towards darkness is the appearance of human reviews in computer-generated (CG) ones. In this work, we present an advanced machine-learning-based system that analyses these reviews produced by AI with remarkable precision. Our method integrates advanced text preprocessing, multi-modal feature extraction, Harris Hawks Optimization (HHO) for feature selection, and a stacking ensemble classifier. We implemented this methodology on a public dataset of 40,432 Original (OR) and Computer-Generated (CG) reviews. From an initial set of 13,539 features, HHO selected the most applicable 1,368 features, achieving an 89.9% dimensionality reduction. Our final stacking model achieved 95.40% accuracy, 92.81% precision, 95.01% recall, and a 93.90% F1-Score, which demonstrates that the combination of ensemble learning and bio-inspired optimisation is an effective method for machine-generated text recognition. Because large-scale review analytics commonly run on cloud platforms, privacy-preserving techniques such as differential approaches and secure outsourcing are essential to protect user data in these systems.


Manifold-Aware Diffusion-Augmented Contrastive Learning for Noise-Robust Biosignal Representation

arXiv.org Artificial Intelligence

Learning robust representations for physiological time-series signals continues to pose a substantial challenge in developing efficient few-shot learning applications. This difficulty is largely due to the complex pathological variations in biosignals. In this context, this paper introduces a manifold-aware Diffusion-Augmented Contrastive Learning (DACL) framework, which efficiently leverages the generative structure of latent diffusion models with the discriminative power of supervised contrastive learning. The proposed framework operates within a contextualized scattering latent space derived from Scattering Transformer (ST) features. Within a contrastive learning framework, we employ a forward diffusion process in the scattering latent space as a structured manifold-aware feature augmentation technique. We assessed the proposed framework using the PhysioNet 2017 ECG benchmark dataset. The proposed method achieved a competitive AUROC of 0.9741 in the task of detecting atrial fibrillation from a single-lead ECG signal. The proposed framework achieved performance on par with relevant state-of-the-art related works. In-depth evaluation findings suggest that early-stage diffusion serves as an ideal "local manifold explorer," producing embeddings with greater precision than typical augmentation methods while preserving inference efficiency.


ChronoGraph: A Real-World Graph-Based Multivariate Time Series Dataset

arXiv.org Artificial Intelligence

We present ChronoGraph, a graph-structured multivariate time series forecasting dataset built from real-world production microservices. Each node is a service that emits a multivariate stream of system-level performance metrics, capturing CPU, memory, and network usage patterns, while directed edges encode dependencies between services. The primary task is forecasting future values of these signals at the service level. In addition, ChronoGraph provides expert-annotated incident windows as anomaly labels, enabling evaluation of anomaly detection methods and assessment of forecast robustness during operational disruptions. Compared to existing benchmarks from industrial control systems or traffic and air-quality domains, ChronoGraph uniquely combines (i) multivariate time series, (ii) an explicit, machine-readable dependency graph, and (iii) anomaly labels aligned with real incidents. We report baseline results spanning forecasting models, pretrained time-series foundation models, and standard anomaly detectors. ChronoGraph offers a realistic benchmark for studying structure-aware forecasting and incident-aware evaluation in microservice systems.


Unlabeled Data Improves Fine-Grained Image Zero-shot Classification with Multimodal LLMs

arXiv.org Artificial Intelligence

Despite Multimodal Large Language Models (MLLMs) showing promising results on general zero-shot image classification tasks, fine-grained image classification remains challenging. It demands precise attention to subtle visual details to distinguish between visually similar subcategories--details that MLLMs may easily overlook without explicit guidance. To address this, we introduce AutoSEP, an iterative self-supervised prompt learning framework designed to enhance MLLM fine-grained classification capabilities in a fully unsupervised manner. Our core idea is to leverage unlabeled data to learn a description prompt that guides MLLMs in identifying crucial discriminative features within an image, and boosts classification accuracy. We developed an automatic self-enhancing prompt learning framework called AutoSEP to iteratively improve the description prompt using unlabeled data, based on instance-level classification scoring function. AutoSEP only requires black-box access to MLLMs, eliminating the need for any training or fine-tuning. We evaluate our approach on multiple fine-grained classification datasets. It consistently outperforms other unsupervised baselines, demonstrating the effectiveness of our self-supervised optimization framework. Notably, AutoSEP on average improves 13 percent over standard zero-shot classification and 5 percent over the best-performing baselines. Code is available at: https://github.com/yq-hong/AutoSEP


CDR-Agent: Intelligent Selection and Execution of Clinical Decision Rules Using Large Language Model Agents

arXiv.org Artificial Intelligence

Clinical decision-making is inherently complex and fast-paced, particularly in emergency departments (EDs) where critical, rapid and high-stakes decisions are made. Clinical Decision Rules (CDRs) are standardized evidence-based tools that combine signs, symptoms, and clinical variables into decision trees to make consistent and accurate diagnoses. CDR usage is often hindered by the clinician's cognitive load, limiting their ability to quickly recall and apply the appropriate rules. We introduce CDR-Agent, a novel LLM-based system designed to enhance ED decision-making by autonomously identifying and applying the most appropriate CDRs based on unstructured clinical notes. To validate CDR-Agent, we curated two novel ED datasets: synthetic and CDR-Bench, although CDR-Agent is applicable to non ED clinics. CDR-Agent achieves a 56.3\% (synthetic) and 8.7\% (CDR-Bench) accuracy gain relative to the standalone LLM baseline in CDR selection. Moreover, CDR-Agent significantly reduces computational overhead. Using these datasets, we demonstrated that CDR-Agent not only selects relevant CDRs efficiently, but makes cautious yet effective imaging decisions by minimizing unnecessary interventions while successfully identifying most positively diagnosed cases, outperforming traditional LLM prompting approaches. Code for our work can be found at: https://github.com/zhenxianglance/medagent-cdr-agent


How to Correctly Report LLM-as-a-Judge Evaluations

arXiv.org Machine Learning

Large language models (LLMs) are increasingly used as evaluators in lieu of humans. While scalable, their judgments are noisy due to imperfect specificity and sensitivity of LLMs, leading to biased accuracy estimates. Although bias-correction methods exist, they are underutilized in LLM research and typically assume exact knowledge of the model's specificity and sensitivity. Furthermore, in general we only have estimates of these values and it is not well known how to properly construct confidence intervals using only estimates. This work presents a simple plug-in framework that corrects such bias and constructs confidence intervals reflecting uncertainty from both test and calibration dataset, enabling practical and statistically sound LLM-based evaluation. Additionally, to reduce uncertainty in the accuracy estimate, we introduce an adaptive algorithm that efficiently allocates calibration sample sizes.


Selecting Belief-State Approximations in Simulators with Latent States

arXiv.org Machine Learning

State resetting is a fundamental but often overlooked capability of simulators. It supports sample-based planning by allowing resets to previously encountered simulation states, and enables calibration of simulators using real data by resetting to states observed in real-system traces. While often taken for granted, state resetting in complex simulators can be nontrivial: when the simulator comes with latent variables (states), state resetting requires sampling from the posterior over the latent state given the observable history, a.k.a. the belief state (Silver and Veness, 2010). While exact sampling is often infeasible, many approximate belief-state samplers can be constructed, raising the question of how to select among them using only sampling access to the simulator. In this paper, we show that this problem reduces to a general conditional distribution-selection task and develop a new algorithm and analysis under sampling-only access. Building on this reduction, the belief-state selection problem admits two different formulations: latent state-based selection, which directly targets the conditional distribution of the latent state, and observation-based selection, which targets the induced distribution over the observation. Interestingly, these formulations differ in how their guarantees interact with the downstream roll-out methods: perhaps surprisingly, observation-based selection may fail under the most natural roll-out method (which we call Single-Reset) but enjoys guarantees under the less conventional alternative (which we call Repeated-Reset). Together with discussion on issues such as distribution shift and the choice of sampling policies, our paper reveals a rich landscape of algorithmic choices, theoretical nuances, and open questions, in this seemingly simple problem.


A Set of Rules for Model Validation

arXiv.org Machine Learning

The validation of a data-driven model is the process of asses sing the model's ability to generalize to new, unseen data in the population o f interest. This paper proposes a set of general rules for model validation. T hese rules are designed to help practitioners create reliable validation plans and report their results transparently. While no validation scheme is flawle ss, these rules can help practitioners ensure their strategy is sufficient for pr actical use, openly discuss any limitations of their validation strategy, and r eport clear, comparable performance metrics. Keywords: Validation, Cross-validation 1. Introduction Model validation is a fundamental task in all modern data-dr iven systems, whether they fall under the broad categories of Statistics, Machine Learning (ML), Artificial Intelligence (AI), or more specialized fiel ds like chemometrics. Validation has become a major focus for regulatory and stand ardization bodies, with key reports and standards highlighting the growing con cern for ensuring the trustworthiness and reliability of data-driven models: NIST AI Risk Management Framework (AI RMF 1.0, 2023): Publi shed by the U.S. Department of Commerce, this framework provides management techniques to address the risks and ensure the trustwor thiness of AI systems, with validation as a core component. The EU AI Act of 2024, landmark piece of EU legislation that c ategorizes AI systems by risk level, where validation is not defined as a b est practice but a legal requirement within the conformity assessment. The ISO/IEC TS 4213:2022, by the International Organizati on for Standardization (ISO), describes approaches and methods to ens ure the rele-Email address: josecamacho@ugr.es The IEEE P2841 -2022 is a recommended practice for the fram ework and process for deep learning evaluation.