Deep learning offers transformative potential in medical imaging, yet its clinical adoption is frequently hampered by challenges such as data scarcity, distribution shifts, and the need for robust task generalization. Prompt-based methodologies have emerged as a pivotal strategy to guide deep learning models, providing flexible, domain-specific adaptations that significantly enhance model performance and adaptability without extensive retraining. This systematic review critically examines the burgeoning landscape of prompt engineering in medical imaging. We dissect diverse prompt modalities, including textual instructions, visual prompts, and learnable embeddings, and analyze their integration for core tasks such as image generation, segmentation, and classification. Our synthesis reveals how these mechanisms improve task-specific outcomes by enhancing accuracy, robustness, and data efficiency and reducing reliance on manual feature engineering while fostering greater model interpretability by making the model's guidance explicit. Despite substantial advancements, we identify persistent challenges, particularly in prompt design optimization, data heterogeneity, and ensuring scalability for clinical deployment. Finally, this review outlines promising future trajectories, including advanced multimodal prompting and robust clinical integration, underscoring the critical role of prompt-driven AI in accelerating the revolution of diagnostics and personalized treatment planning in medicine.
Accurately predicting magnetic behavior across diverse materials systems remains a longstanding challenge due to the complex interplay of structural and electronic factors and is pivotal for the accelerated discovery and design of next-generation magnetic materials. In this work, a refined descriptor is proposed that significantly improves the prediction of two critical magnetic properties -- magnetic ordering (Ferromagnetic vs. Ferrimagnetic) and magnetic moment per atom -- using only the structural information of materials. Unlike previous models limited to Mn-based or lanthanide-transition metal compounds, the present approach generalizes across a diverse dataset of 5741 stable, binary and ternary, ferromagnetic and ferrimagnetic compounds sourced from the Materials Project. Leveraging an enriched elemental vector representation and advanced feature engineering, including nonlinear terms and reduced matrix sparsity, the LightGBM-based model achieves an accuracy of 82.4% for magnetic ordering classification and balanced recall across FM and FiM classes, addressing a key limitation in prior studies. The model predicts magnetic moment per atom with a correlation coefficient of 0.93, surpassing the Hund's matrix and orbital field matrix descriptors. Additionally, it accurately estimates formation energy per atom, enabling assessment of both magnetic behavior and material stability. This generalized and computationally efficient framework offers a robust tool for high-throughput screening of magnetic materials with tailored properties.
Cryptocurrency transaction fraud detection faces the dual challenges of increasingly complex transaction patterns and severe class imbalance. Traditional methods rely on manual feature engineering and struggle to capture temporal and structural dependencies in transaction networks. This paper proposes an Augmented Temporal-aware Graph Attention Network (ATGAT) that enhances detection performance through three modules: (1) designing an advanced temporal embedding module that fuses multi-scale time difference features with periodic position encoding; (2) constructing a temporal-aware triple attention mechanism that jointly optimizes structural, temporal, and global context attention; (3) employing weighted BCE loss to address class imbalance. Experiments on the Elliptic++ cryptocurrency dataset demonstrate that ATGAT achieves an AUC of 0.9130, representing a 9.2% improvement over the best traditional method XGBoost, 12.0% over GCN, and 10.0% over standard GAT. This method not only validates the enhancement effect of temporal awareness and triple attention mechanisms on graph neural networks, but also provides financial institutions with more reliable fraud detection tools, with its design principles generalizable to other temporal graph anomaly detection tasks.
Forecasting violent conflict at high spatial and temporal resolution remains a central challenge for both researchers and policymakers. This study presents a novel neural network architecture for forecasting three distinct types of violence -- state-based, non-state, and one-sided -- at the subnational (priogrid-month) level, up to 36 months in advance. The model jointly performs classification and regression tasks, producing both probabilistic estimates and expected magnitudes of future events. It achieves state-of-the-art performance across all tasks and generates approximate predictive posterior distributions to quantify forecast uncertainty. The architecture is built on a Monte Carlo Dropout Long Short-Term Memory (LSTM) U-Net, integrating convolutional layers to capture spatial dependencies with recurrent structures to model temporal dynamics. Unlike many existing approaches, it requires no manual feature engineering and relies solely on historical conflict data. This design enables the model to autonomously learn complex spatiotemporal patterns underlying violent conflict. Beyond achieving state-of-the-art predictive performance, the model is also highly extensible: it can readily integrate additional data sources and jointly forecast auxiliary variables. These capabilities make it a promising tool for early warning systems, humanitarian response planning, and evidence-based peacebuilding initiatives.
We propose a hybrid quantum-classical reinforcement learning framework for sector rotation in the Taiwan stock market. Our system employs Proximal Policy Optimization (PPO) as the backbone algorithm and integrates both classical architectures (LSTM, Transformer) and quantum-enhanced models (QNN, QRWKV, QASA) as policy and value networks. An automated feature engineering pipeline extracts financial indicators from capital share data to ensure consistent model input across all configurations. Empirical backtesting reveals a key finding: although quantum-enhanced models consistently achieve higher training rewards, they underperform classical models in real-world investment metrics such as cumulative return and Sharpe ratio. This discrepancy highlights a core challenge in applying reinforcement learning to financial domains -- namely, the mismatch between proxy reward signals and true investment objectives. Our analysis suggests that current reward designs may incentivize overfitting to short-term volatility rather than optimizing risk-adjusted returns. This issue is compounded by the inherent expressiveness and optimization instability of quantum circuits under Noisy Intermediate-Scale Quantum (NISQ) constraints. We discuss the implications of this reward-performance gap and propose directions for future improvement, including reward shaping, model regularization, and validation-based early stopping. Our work offers a reproducible benchmark and critical insights into the practical challenges of deploying quantum reinforcement learning in real-world finance.
Accurate time series forecasting models are often compromised by data drift, where underlying data distributions change over time, leading to significant declines in prediction performance. To address this challenge, this study proposes an adaptive forecasting framework that integrates drift detection with targeted model retraining to compensate for drift effects. The framework utilizes the Pruned Exact Linear Time (PELT) algorithm to identify drift points within the feature space of time series data. Once drift intervals are detected, selective retraining is applied to prediction models using Multilayer Perceptron (MLP) and Lasso Regressor architectures, allowing the models to adjust to changing data patterns. The effectiveness of the proposed approach is demonstrated on two datasets: a real-world dataset containing electricity consumption and HVAC system data, and a synthetic financial dataset designed to test cross-domain applicability. Initial baseline models were developed without drift detection using extensive feature engineering. After integrating drift-aware retraining, the MLP model achieved a 44% reduction in mean absolute error (MAE) and a 39% increase in R^2 on the real-world dataset, while even greater improvements were observed on the synthetic financial dataset. Similar enhancements were achieved with the Lasso Regressor. These results highlight the robustness and generalizability of incorporating drift detection and adaptive retraining to sustain forecasting accuracy across diverse domains.
Graph machine learning has led to a significant increase in the capabilities of models that learn on arbitrary graph-structured data and has been applied to molecules, social networks, recommendation systems, and transportation, among other domains. Data in multi-tabular relational databases can also be constructed as 'relational entity graphs' for Relational Deep Learning (RDL) - a new blueprint that enables end-to-end representation learning without traditional feature engineering. Compared to arbitrary graph-structured data, relational entity graphs have key properties: (i) their structure is defined by primary-foreign key relationships between entities in different tables, (ii) the structural connectivity is a function of the relational schema defining a database, and (iii) the graph connectivity is temporal and heterogeneous in nature. In this paper, we provide a comprehensive review of RDL by first introducing the representation of relational databases as relational entity graphs, and then reviewing public benchmark datasets that have been used to develop and evaluate recent GNN-based RDL models. We discuss key challenges including large-scale multi-table integration and the complexities of modeling temporal dynamics and heterogeneous data, while also surveying foundational neural network methods and recent architectural advances specialized for relational entity graphs. Finally, we explore opportunities to unify these distinct modeling challenges, highlighting how RDL converges multiple sub-fields in graph machine learning towards the design of foundation models that can transform the processing of relational data.
Short-term sentiment forecasting in financial markets (e.g., stocks, indices) is challenging due to volatility, non-linearity, and noise in OHLC (Open, High, Low, Close) data. This paper introduces a novel CMG (Chaos-Markov-Gaussian) framework that integrates chaos theory, Markov property, and Gaussian processes to improve prediction accuracy. Chaos theory captures nonlinear dynamics; the Markov chain models regime shifts; Gaussian processes add probabilistic reasoning. We enhance the framework with transformer-based deep learning models to capture temporal patterns efficiently. The CMG Framework is designed for fast, resource-efficient, and accurate forecasting of any financial instrument's OHLC time series. Unlike traditional models that require heavy infrastructure and instrument-specific tuning, CMG reduces overhead and generalizes well. We evaluate the framework on market indices, forecasting sentiment for the next trading day's first quarter. A comparative study against statistical, ML, and DL baselines trained on the same dataset with no feature engineering shows CMG consistently outperforms in accuracy and efficiency, making it valuable for analysts and financial institutions.
Rock bolts are crucial components of the subterranean support systems in underground mines that provide adequate structural reinforcement to the rock mass to prevent unforeseen hazards like rockfalls. This makes frequent assessments of such bolts critical for maintaining rock mass stability and minimising risks in underground mining operations. Where manual surveying of rock bolts is challenging due to the low light conditions in the underground mines and the time-intensive nature of the process, automated detection of rock bolts serves as a plausible solution. To that end, this study focuses on the automatic identification of rock bolts within medium to large-scale 3D point clouds obtained from underground mines using mobile laser scanners. Existing techniques for automated rock bolt identification primarily rely on feature engineering and traditional machine learning approaches. However, such techniques lack robustness as these point clouds present several challenges due to data noise, varying environments, and complex surrounding structures. Moreover, the target rock bolts are extremely small objects within large-scale point clouds and are often partially obscured due to the application of reinforcement shotcrete. Addressing these challenges, this paper proposes an approach termed DeepBolt, which employs a novel two-stage deep learning architecture specifically designed for handling severe class imbalance for the automatic and efficient identification of rock bolts in complex 3D point clouds. The proposed method surpasses state-of-the-art semantic segmentation models by up to 42.5% in Intersection over Union (IoU) for rock bolt points. Additionally, it outperforms existing rock bolt identification techniques, achieving a 96.41% precision and 96.96% recall in classifying rock bolts, demonstrating its robustness and effectiveness in complex underground environments.
Feature engineering for tabular data remains a critical yet challenging step in machine learning. Recently, large language models (LLMs) have been used to automatically generate new features by leveraging their vast knowledge. However, existing LLM-based approaches often produce overly simple or repetitive features, partly due to inherent biases in the transformations the LLM chooses and the lack of structured reasoning guidance during generation. In this paper, we propose a novel method REFeat, which guides an LLM to discover diverse and informative features by leveraging multiple types of reasoning to steer the feature generation process. Experiments on 59 benchmark datasets demonstrate that our approach not only achieves higher predictive accuracy on average, but also discovers more diverse and meaningful features. These results highlight the promise of incorporating rich reasoning paradigms and adaptive strategy selection into LLM-driven feature discovery for tabular data.
Large language models (LLMs) have advanced the automation of data science workflows. Yet it remains unclear whether they can critically leverage external domain knowledge as human data scientists do in practice. To answer this question, we introduce AssistedDS (Assisted Data Science), a benchmark designed to systematically evaluate how LLMs handle domain knowledge in tabular prediction tasks. AssistedDS features both synthetic datasets with explicitly known generative mechanisms and real-world Kaggle competitions, each accompanied by curated bundles of helpful and adversarial documents. These documents provide domain-specific insights into data cleaning, feature engineering, and model selection. We assess state-of-the-art LLMs on their ability to discern and apply beneficial versus harmful domain knowledge, evaluating submission validity, information recall, and predictive performance. Our results demonstrate three key findings: (1) LLMs frequently exhibit an uncritical adoption of provided information, significantly impairing their predictive performance when adversarial content is introduced, (2) helpful guidance is often insufficient to counteract the negative influence of adversarial information, and (3) in Kaggle datasets, LLMs often make errors in handling time-series data, applying consistent feature engineering across different folds, and interpreting categorical variables correctly. These findings highlight a substantial gap in current models' ability to critically evaluate and leverage expert knowledge, underscoring an essential research direction for developing more robust, knowledge-aware automated data science systems.
Machine learning has promised to change the landscape of laboratory chemistry, with impressive results in molecular property prediction and reaction retro-synthesis. However, chemical datasets are often inaccessible to the machine learning community as they tend to require cleaning, thorough understanding of the chemistry, or are simply not available. In this paper, we introduce a novel dataset for yield prediction, providing the first-ever transient flow dataset for machine learning benchmarking, covering over 1200 process conditions. While previous datasets focus on discrete parameters, our experimental set-up allow us to sample a large number of continuous process conditions, generating new challenges for machine learning models. We focus on solvent selection, a task that is particularly difficult to model theoretically and therefore ripe for machine learning applications. We showcase benchmarking for regression algorithms, transfer-learning approaches, feature engineering, and active learning, with important applications towards solvent replacement and sustainable manufacturing.
We introduce FailureSensorIQ, a novel Multi-Choice Question-Answering (MCQA) benchmarking system designed to assess the ability of Large Language Models (LLMs) to reason and understand complex, domain-specific scenarios in Industry 4.0. Unlike traditional QA benchmarks, our system focuses on multiple aspects of reasoning through failure modes, sensor data, and the relationships between them across various industrial assets. Through this work, we envision a paradigm shift where modeling decisions are not only data-driven using statistical tools like correlation analysis and significance tests, but also domain-driven by specialized LLMs which can reason about the key contributors and useful patterns that can be captured with feature engineering. We evaluate the Industrial knowledge of over a dozen LLMs-including GPT-4, Llama, and Mistral-on FailureSensorIQ from different lens using Perturbation-Uncertainty-Complexity analysis, Expert Evaluation study, Asset-Specific Knowledge Gap analysis, ReAct agent using external knowledge-bases. Even though closed-source models with strong reasoning capabilities approach expert-level performance, the comprehensive benchmark reveals a significant drop in performance that is fragile to perturbations, distractions, and inherent knowledge gaps in the models. We also provide a real-world case study of how LLMs can drive the modeling decisions on 3 different failure prediction datasets related to various assets. We release: (a) expert-curated MCQA for various industrial assets, (b) FailureSensorIQ benchmark and Hugging Face leaderboard based on MCQA built from non-textual data found in ISO documents, and (c) LLMFeatureSelector, an LLM-based feature selection scikit-learn pipeline. The software is available at https://github.com/IBM/FailureSensorIQ.
Monitoring Machine Learning (ML) models in production environments is crucial, yet traditional approaches often yield verbose, low-interpretability outputs that hinder effective decision-making. We propose a cognitive architecture for ML monitoring that applies feature engineering principles to agents based on Large Language Models (LLMs), significantly enhancing the interpretability of monitoring outputs. Central to our approach is a Decision Procedure module that simulates feature engineering through three key steps: Refactor, Break Down, and Compile. The Refactor step improves data representation to better capture feature semantics, allowing the LLM to focus on salient aspects of the monitoring data while reducing noise and irrelevant information. Break Down decomposes complex information for detailed analysis, and Compile integrates sub-insights into clear, interpretable outputs. This process leads to a more deterministic planning approach, reducing dependence on LLM-generated planning, which can sometimes be inconsistent and overly general. The combination of feature engineering-driven planning and selective LLM utilization results in a robust decision support system, capable of providing highly interpretable and actionable insights. Experiments using multiple LLMs demonstrate the efficacy of our approach, achieving significantly higher accuracy compared to various baselines across several domains.
The rise of digital payments has accelerated the need for intelligent and scalable systems to detect fraud. This research presents an end-to-end, feature-rich machine learning framework for detecting credit card transaction anomalies and fraud using real-world data. The study begins by merging transactional, cardholder, merchant, and merchant category datasets from a relational database to create a unified analytical view. Through the feature engineering process, we extract behavioural signals such as average spending, deviation from historical patterns, transaction timing irregularities, and category frequency metrics. These features are enriched with temporal markers such as hour, day of week, and weekend indicators to expose all latent patterns that indicate fraudulent behaviours. Exploratory data analysis reveals contextual transaction trends across all the dataset features. Using the transactional data, we train and evaluate a range of unsupervised models: Isolation Forest, One Class SVM, and a deep autoencoder trained to reconstruct normal behavior. These models flag the top 1% of reconstruction errors as outliers. PCA visualizations illustrate each models ability to separate anomalies into a two-dimensional latent space. We further segment the transaction landscape using K-Means clustering and DBSCAN to identify dense clusters of normal activity and isolate sparse, suspicious regions.
This study conducts an empirical examination of MLP networks investigated through a rigorous methodical experimentation process involving three diverse datasets: TinyFace, Heart Disease, and Iris. Study Overview: The study includes three key methods: a) a baseline training using the default settings for the Multi-Layer Perceptron (MLP), b) feature selection using Genetic Algorithm (GA) based refinement c) Principal Component Analysis (PCA) based dimension reduction. The results show important information on how such techniques affect performance. While PCA had showed benefits in low-dimensional and noise-free datasets GA consistently increased accuracy in complex datasets by accurately identifying critical features. Comparison reveals that feature selection and dimensionality reduction play interdependent roles in enhancing MLP performance. The study contributes to the literature on feature engineering and neural network parameter optimization, offering practical guidelines for a wide range of machine learning tasks
Cryptocurrency price dynamics are driven largely by microstructural supply demand imbalances in the limit order book (LOB), yet the highly noisy nature of LOB data complicates the signal extraction process. Prior research has demonstrated that deep-learning architectures can yield promising predictive performance on pre-processed equity and futures LOB data, but they often treat model complexity as an unqualified virtue. In this paper, we aim to examine whether adding extra hidden layers or parameters to "blackbox ish" neural networks genuinely enhances short term price forecasting, or if gains are primarily attributable to data preprocessing and feature engineering. We benchmark a spectrum of models from interpretable baselines, logistic regression, XGBoost to deep architectures (DeepLOB, Conv1D+LSTM) on BTC/USDT LOB snapshots sampled at 100 ms to multi second intervals using publicly available Bybit data. We introduce two data filtering pipelines (Kalman, Savitzky Golay) and evaluate both binary (up/down) and ternary (up/flat/down) labeling schemes. Our analysis compares models on out of sample accuracy, latency, and robustness to noise. Results reveal that, with data preprocessing and hyperparameter tuning, simpler models can match and even exceed the performance of more complex networks, offering faster inference and greater interpretability.
Recommender systems are pivotal in delivering personalized experiences across industries, yet their adoption and scalability remain hindered by the need for extensive dataset- and task-specific configurations. Existing systems often require significant manual intervention, domain expertise, and engineering effort to adapt to new datasets or tasks, creating barriers to entry and limiting reusability. In contrast, recent advancements in large language models (LLMs) have demonstrated the transformative potential of reusable systems, where a single model can handle diverse tasks without significant reconfiguration. Inspired by this paradigm, we propose the Dataset- and Task-Independent Recommender System (DTIRS), a framework aimed at maximizing the reusability of recommender systems while minimizing barriers to entry. Unlike LLMs, which achieve task generalization directly, DTIRS focuses on eliminating the need to rebuild or reconfigure recommendation pipelines for every new dataset or task, even though models may still need retraining on new data. By leveraging the novel Dataset Description Language (DsDL), DTIRS enables standardized dataset descriptions and explicit task definitions, allowing autonomous feature engineering, model selection, and optimization. This paper introduces the concept of DTIRS and establishes a roadmap for transitioning from Level-1 automation (dataset-agnostic but task-specific systems) to Level-2 automation (fully dataset- and task-independent systems). Achieving this paradigm would maximize code reusability and lower barriers to adoption. We discuss key challenges, including the trade-offs between generalization and specialization, computational overhead, and scalability, while presenting DsDL as a foundational tool for this vision.
Discovering and evaluating long-form talk content such as videos and podcasts poses a significant challenge for users, as it requires a considerable time investment. Previews offer a practical solution by providing concise snippets that showcase key moments of the content, enabling users to make more informed and confident choices. We propose an LLM-based approach for generating podcast episode previews and deploy the solution at scale, serving hundreds of thousands of podcast previews in a real-world application. Comprehensive offline evaluations and online A/B testing demonstrate that LLM-generated previews consistently outperform a strong baseline built on top of various ML expert models, showcasing a significant reduction in the need for meticulous feature engineering. The offline results indicate notable enhancements in understandability, contextual clarity, and interest level, and the online A/B test shows a 4.6% increase in user engagement with preview content, along with a 5x boost in processing efficiency, offering a more streamlined and performant solution compared to the strong baseline of feature-engineered expert models.
The COVID-19 pandemic, caused by SARS-CoV-2, highlighted the critical need for accurate prediction of disease severity to optimize healthcare resource allocation and patient management. The spike protein, which facilitates viral entry into host cells, exhibits high mutation rates, particularly in the receptor-binding domain, influencing viral pathogenicity. Artificial intelligence approaches, such as deep learning, offer promising solutions for leveraging genomic and clinical data to predict disease outcomes. Objective: This study aimed to develop a hybrid CNN-LSTM deep learning model to predict COVID-19 severity using spike protein sequences and associated clinical metadata from South American patients. Methods: We retrieved 9,570 spike protein sequences from the GISAID database, of which 3,467 met inclusion criteria after standardization. The dataset included 2,313 severe and 1,154 mild cases. A feature engineering pipeline extracted features from sequences, while demographic and clinical variables were one-hot encoded. A hybrid CNN-LSTM architecture was trained, combining CNN layers for local pattern extraction and an LSTM layer for long-term dependency modeling. Results: The model achieved an F1 score of 82.92%, ROC-AUC of 0.9084, precision of 83.56%, and recall of 82.85%, demonstrating robust classification performance. Training stabilized at 85% accuracy with minimal overfitting. The most prevalent lineages (P.1, AY.99.2) and clades (GR, GK) aligned with regional epidemiological trends, suggesting potential associations between viral genetics and clinical outcomes. Conclusion: The CNN-LSTM hybrid model effectively predicted COVID-19 severity using spike protein sequences and clinical data, highlighting the utility of AI in genomic surveillance and precision public health. Despite limitations, this approach provides a framework for early severity prediction in future outbreaks.