Credit card fraud has significant implications at both an individual and societal level, making effective prevention essential. Current methods rely heavily on feature engineering and labeled information, both of which have significant limitations. In this work, we present GraphGuard, a novel contrastive self-supervised graph-based framework for detecting fraudulent credit card transactions. We conduct experiments on a real-world dataset and a synthetic dataset. Our results provide a promising initial direction for exploring the effectiveness of graph-based self-supervised approaches for credit card fraud detection.
We revisit the effectiveness of topological descriptors for molecular graph classification and design a simple, yet strong baseline. We demonstrate that a simple approach to feature engineering - employing histogram aggregation of edge descriptors and one-hot encoding for atomic numbers and bond types - when combined with a Random Forest classifier, can establish a strong baseline for Graph Neural Networks (GNNs). The novel algorithm, Molecular Topological Profile (MOLTOP), integrates Edge Betweenness Centrality, Adjusted Rand Index and SCAN Structural Similarity score. This approach proves to be remarkably competitive when compared to modern GNNs, while also being simple, fast, low-variance and hyperparameter-free. Our approach is rigorously tested on MoleculeNet datasets using fair evaluation protocol provided by Open Graph Benchmark. We additionally show out-of-domain generation capabilities on peptide classification task from Long Range Graph Benchmark. The evaluations across eleven benchmark datasets reveal MOLTOP's strong discriminative capabilities, surpassing the $1$-WL test and even $3$-WL test for some classes of graphs. Our conclusion is that descriptor-based baselines, such as the one we propose, are still crucial for accurately assessing advancements in the GNN domain.
While the use of machine learning for the detection of propaganda techniques in text has garnered considerable attention, most approaches focus on "black-box" solutions with opaque inner workings. Interpretable approaches provide a solution, however, they depend on careful feature engineering and costly expert annotated data. Additionally, language features specific to propagandistic text are generally the focus of rhetoricians or linguists, and there is no data set labeled with such features suitable for machine learning. This study codifies 22 rhetorical and linguistic features identified in literature related to the language of persuasion for the purpose of annotating an existing data set labeled with propaganda techniques. To help human experts annotate natural language sentences with these features, RhetAnn, a web application, was specifically designed to minimize an otherwise considerable mental effort. Finally, a small set of annotated data was used to fine-tune GPT-3.5, a generative large language model (LLM), to annotate the remaining data while optimizing for financial cost and classification accuracy. This study demonstrates how combining a small number of human annotated examples with GPT can be an effective strategy for scaling the annotation process at a fraction of the cost of traditional annotation relying solely on human experts. The results are on par with the best performing model at the time of writing, namely GPT-4, at 10x less the cost. Our contribution is a set of features, their properties, definitions, and examples in a machine-readable format, along with the code for RhetAnn and the GPT prompts and fine-tuning procedures for advancing state-of-the-art interpretable propaganda technique detection.
Feature engineering often plays a crucial role in building mining systems for tabular data, which traditionally requires experienced human experts to perform. Thanks to the rapid advances in reinforcement learning, it has offered an automated alternative, i.e. automated feature engineering (AutoFE). In this work, through scrutiny of the prior AutoFE methods, we characterize several research challenges that remained in this regime, concerning system-wide efficiency, efficacy, and practicality toward production. We then propose Catch, a full-fledged new AutoFE framework that comprehensively addresses the aforementioned challenges. The core to Catch composes a hierarchical-policy reinforcement learning scheme that manifests a collaborative feature engineering exploration and exploitation grounded on the granularity of the whole feature set. At a higher level of the hierarchy, a decision-making module controls the post-processing of the attained feature engineering transformation. We extensively experiment with Catch on 26 academic standardized tabular datasets and 9 industrialized real-world datasets. Measured by numerous metrics and analyses, Catch establishes a new state-of-the-art, from perspectives performance, latency as well as its practicality towards production. Source code1 can be found at https://github.com/1171000709/Catch.
Continuous-time dynamic graphs (CTDGs) are essential for modeling interconnected, evolving systems. Traditional methods for extracting knowledge from these graphs often depend on feature engineering or deep learning. Feature engineering is limited by the manual and time-intensive nature of crafting features, while deep learning approaches suffer from high inference latency, making them impractical for real-time applications. This paper introduces Deep-Graph-Sprints (DGS), a novel deep learning architecture designed for efficient representation learning on CTDGs with low-latency inference requirements. We benchmark DGS against state-of-the-art (SOTA) feature engineering and graph neural network methods using five diverse datasets. The results indicate that DGS achieves competitive performance while inference speed improves between 4x and 12x compared to other deep learning approaches on our benchmark datasets. Our method effectively bridges the gap between deep representation learning and low-latency application requirements for CTDGs.
With the exponential increase in video content, the need for accurate deception detection in human-centric video analysis has become paramount. This research focuses on the extraction and combination of various features to enhance the accuracy of deception detection models. By systematically extracting features from visual, audio, and text data, and experimenting with different combinations, we developed a robust model that achieved an impressive 99% accuracy. Our methodology emphasizes the significance of feature engineering in deception detection, providing a clear and interpretable framework. We trained various machine learning models, including LSTM, BiLSTM, and pre-trained CNNs, using both single and multi-modal approaches. The results demonstrated that combining multiple modalities significantly enhances detection performance compared to single modality training. This study highlights the potential of strategic feature extraction and combination in developing reliable and transparent automated deception detection systems in video analysis, paving the way for more advanced and accurate detection methodologies in future research.
This study explores the application of large language models (LLMs) in venture capital (VC) decision-making, focusing on predicting startup success based on founder characteristics. We utilize LLM prompting techniques, like chain-of-thought, to generate features from limited data, then extract insights through statistics and machine learning. Our results reveal potential relationships between certain founder characteristics and success, as well as demonstrate the effectiveness of these characteristics in prediction. This framework for integrating ML techniques and LLMs has vast potential for improving startup success prediction, with important implications for VC firms seeking to optimize their investment strategies.
The Music Emotion Recognition (MER) field has seen steady developments in recent years, with contributions from feature engineering, machine learning, and deep learning. The landscape has also shifted from audio-centric systems to bimodal ensembles that combine audio and lyrics. However, a lack of public, sizable and quality-controlled bimodal databases has hampered the development and improvement of bimodal audio-lyrics systems. This article proposes three new audio, lyrics, and bimodal MER research datasets, collectively referred to as MERGE, which were created using a semi-automatic approach. To comprehensively assess the proposed datasets and establish a baseline for benchmarking, we conducted several experiments for each modality, using feature engineering, machine learning, and deep learning methodologies. Additionally, we propose and validate fixed train-validation-test splits. The obtained results confirm the viability of the proposed datasets, achieving the best overall result of 81.74\% F1-score for bimodal classification.
The application of deep learning techniques for predicting stock market prices is a prominent and widely researched topic in the field of data science. To effectively predict market trends, it is essential to utilize a diversified dataset. In this paper, we give a graph neural network based convolutional neural network (CNN) model, that can be applied on diverse source of data, in the attempt to extract features to predict the trends of indices of \text{S}\&\text{P} 500, NASDAQ, DJI, NYSE, and RUSSEL. The experiments show that the associated models improve the performance of prediction in all indices over the baseline algorithms by about $4\% \text{ to } 15\%$, in terms of F-measure. A trading simulation is generated from predictions and gained a Sharpe ratio of over 3.
Tabular data is prevalent in real-world machine learning applications, and new models for supervised learning of tabular data are frequently proposed. Comparative studies assessing the performance of models typically consist of model-centric evaluation setups with overly standardized data preprocessing. This paper demonstrates that such model-centric evaluations are biased, as real-world modeling pipelines often require dataset-specific preprocessing and feature engineering. Therefore, we propose a data-centric evaluation framework. We select 10 relevant datasets from Kaggle competitions and implement expert-level preprocessing pipelines for each dataset. We conduct experiments with different preprocessing pipelines and hyperparameter optimization (HPO) regimes to quantify the impact of model selection, HPO, feature engineering, and test-time adaptation. Our main findings are: 1. After dataset-specific feature engineering, model rankings change considerably, performance differences decrease, and the importance of model selection reduces. 2. Recent models, despite their measurable progress, still significantly benefit from manual feature engineering. This holds true for both tree-based models and neural networks. 3. While tabular data is typically considered static, samples are often collected over time, and adapting to distribution shifts can be important even in supposedly static data. These insights suggest that research efforts should be directed toward a data-centric perspective, acknowledging that tabular data requires feature engineering and often exhibits temporal characteristics. Our framework is available under: https://github.com/atschalz/dc_tabeval.
Severe impairment of the central motor network can result in loss of motor function, clinically recognized as Locked-in Syndrome. Advances in Brain-Computer Interfaces offer a promising avenue for partially restoring compromised communicative abilities by decoding different types of hand movements from the sensorimotor cortex. In this study, we collected ECoG recordings from 8 epilepsy patients and compared the decodability of individual finger flexion and hand gestures with the resting state, as a proxy for a one-dimensional brain-click. The results show that all individual finger flexion and hand gestures are equally decodable across multiple models and subjects (>98.0\%). In particular, hand movements, involving index finger flexion, emerged as promising candidates for brain-clicks. When decoding among multiple hand movements, finger flexion appears to outperform hand gestures (96.2\% and 92.5\% respectively) and exhibit greater robustness against misclassification errors when all hand movements are included. These findings highlight that optimized classical machine learning models with feature engineering are viable decoder designs for communication-assistive systems.
Advances in machine learning research drive progress in real-world applications. To ensure this progress, it is important to understand the potential pitfalls on the way from a novel method's success on academic benchmarks to its practical deployment. In this work, we analyze existing tabular benchmarks and find two common characteristics of tabular data in typical industrial applications that are underrepresented in the datasets usually used for evaluation in the literature. First, in real-world deployment scenarios, distribution of data often changes over time. To account for this distribution drift, time-based train/test splits should be used in evaluation. However, popular tabular datasets often lack timestamp metadata to enable such evaluation. Second, a considerable portion of datasets in production settings stem from extensive data acquisition and feature engineering pipelines. This can have an impact on the absolute and relative number of predictive, uninformative, and correlated features compared to academic datasets. In this work, we aim to understand how recent research advances in tabular deep learning transfer to these underrepresented conditions. To this end, we introduce TabReD -- a collection of eight industry-grade tabular datasets. We reassess a large number of tabular ML models and techniques on TabReD. We demonstrate that evaluation on time-based data splits leads to different methods ranking, compared to evaluation on random splits, which are common in current benchmarks. Furthermore, simple MLP-like architectures and GBDT show the best results on the TabReD datasets, while other methods are less effective in the new setting.
We demonstrate and investigate the remarkable robustness of Large Language Models by deleting and swapping adjacent layers. We find that deleting and swapping interventions retain 72-95\% of the original model's prediction accuracy without fine-tuning, whereas models with more layers exhibit more robustness. Based on the results of the layer-wise intervention and further experiments, we hypothesize the existence of four universal stages of inference across eight different models: detokenization, feature engineering, prediction ensembling, and residual sharpening. The first stage integrates local information, lifting raw token representations into higher-level contextual representations. Next is the iterative refinement of task and entity-specific features. Then, the second half of the model begins with a phase transition, where hidden representations align more with the vocabulary space due to specialized model components. Finally, the last layer sharpens the following token distribution by eliminating obsolete features that add noise to the prediction.
Large language models (LLMs) have revolutionized Natural Language Processing (NLP) by minimizing the need for complex feature engineering. However, the application of LLMs in specialized domains like biopharmaceuticals and chemistry remains largely unexplored. These fields are characterized by intricate terminologies, specialized knowledge, and a high demand for precision areas where general purpose LLMs often fall short. In this study, we introduce PharmaGPT, a suite of domain specilized LLMs with 13 billion and 70 billion parameters, specifically trained on a comprehensive corpus tailored to the Bio-Pharmaceutical and Chemical domains. Our evaluation shows that PharmaGPT surpasses existing general models on specific-domain benchmarks such as NAPLEX, demonstrating its exceptional capability in domain-specific tasks. Remarkably, this performance is achieved with a model that has only a fraction, sometimes just one-tenth-of the parameters of general-purpose large models. This advancement establishes a new benchmark for LLMs in the bio-pharmaceutical and chemical fields, addressing the existing gap in specialized language modeling. It also suggests a promising path for enhanced research and development, paving the way for more precise and effective NLP applications in these areas.
Independent Component Estimation (ICE) has many applications in modern day machine learning as a feature engineering extraction method. Horseshoe-type priors are used to provide scalable algorithms that enables both point estimates via expectation-maximization (EM) and full posterior sampling via Markov Chain Monte Carlo (MCMC) algorithms. Our methodology also applies to flow-based methods for nonlinear feature extraction and deep learning. We also discuss how to implement conditional posteriors and envelope-based methods for optimization. Through this hierarchy representation, we unify a number of hitherto disparate estimation procedures. We illustrate our methodology and algorithms on a numerical example. Finally, we conclude with directions for future research.
To enhance the robustness of the Light Gradient Boosting Machine (LightGBM) algorithm for image classification, a topological data analysis (TDA)-based robustness optimization algorithm for LightGBM, TDA-LightGBM, is proposed to address the interference of noise on image classification. Initially, the method partitions the feature engineering process into two streams: pixel feature stream and topological feature stream for feature extraction respectively. Subsequently, these pixel and topological features are amalgamated into a comprehensive feature vector, serving as the input for LightGBM in image classification tasks. This fusion of features not only encompasses traditional feature engineering methodologies but also harnesses topological structure information to more accurately encapsulate the intrinsic features of the image. The objective is to surmount challenges related to unstable feature extraction and diminished classification accuracy induced by data noise in conventional image processing. Experimental findings substantiate that TDA-LightGBM achieves a 3% accuracy improvement over LightGBM on the SOCOFing dataset across five classification tasks under noisy conditions. In noise-free scenarios, TDA-LightGBM exhibits a 0.5% accuracy enhancement over LightGBM on two classification tasks, achieving a remarkable accuracy of 99.8%. Furthermore, the method elevates the classification accuracy of the Ultrasound Breast Images for Breast Cancer dataset and the Masked CASIA WebFace dataset by 6% and 15%, respectively, surpassing LightGBM in the presence of noise. These empirical results underscore the efficacy of the TDA-LightGBM approach in fortifying the robustness of LightGBM by integrating topological features, thereby augmenting the performance of image classification tasks amidst data perturbations.
Pathogen identification is pivotal in diagnosing, treating, and preventing diseases, crucial for controlling infections and safeguarding public health. Traditional alignment-based methods, though widely used, are computationally intense and reliant on extensive reference databases, often failing to detect novel pathogens due to their low sensitivity and specificity. Similarly, conventional machine learning techniques, while promising, require large annotated datasets and extensive feature engineering and are prone to overfitting. Addressing these challenges, we introduce PathoLM, a cutting-edge pathogen language model optimized for the identification of pathogenicity in bacterial and viral sequences. Leveraging the strengths of pre-trained DNA models such as the Nucleotide Transformer, PathoLM requires minimal data for fine-tuning, thereby enhancing pathogen detection capabilities. It effectively captures a broader genomic context, significantly improving the identification of novel and divergent pathogens. We developed a comprehensive data set comprising approximately 30 species of viruses and bacteria, including ESKAPEE pathogens, seven notably virulent bacterial strains resistant to antibiotics. Additionally, we curated a species classification dataset centered specifically on the ESKAPEE group. In comparative assessments, PathoLM dramatically outperforms existing models like DciPatho, demonstrating robust zero-shot and few-shot capabilities. Furthermore, we expanded PathoLM-Sp for ESKAPEE species classification, where it showed superior performance compared to other advanced deep learning methods, despite the complexities of the task.
Feature generation can significantly enhance learning outcomes, particularly for tasks with limited data. An effective way to improve feature generation is by expanding the current feature space using existing features and enriching the informational content. However, generating new, interpretable features in application fields often requires domain-specific knowledge about the existing features. This paper introduces a new method RAFG for generating reasonable and explainable features specific to domain classification tasks. To generate new features with interpretability in domain knowledge, we perform information retrieval on existing features to identify potential feature associations, and utilize these associations to generate meaningful features. Furthermore, we develop a Large Language Model (LLM)-based framework for feature generation with reasoning to verify and filter features during the generation process. Experiments across several datasets in medical, economic, and geographic domains show that our RAFG method produces high-quality, meaningful features and significantly improves classification performance compared with baseline methods.
Explainable Artificial Intelligence (XAI) has become a widely discussed topic, the related technologies facilitate better understanding of conventional black-box models like Random Forest, Neural Networks and etc. However, domain-specific applications of XAI are still insufficient. To fill this gap, this research analyzes various machine learning models to the tasks of binary and multi-class classification for intrusion detection from network traffic on the same dataset using occlusion sensitivity. The models evaluated include Linear Regression, Logistic Regression, Linear Support Vector Machine (SVM), K-Nearest Neighbors (KNN), Random Forest, Decision Trees, and Multi-Layer Perceptrons (MLP). We trained all models to the accuracy of 90\% on the UNSW-NB15 Dataset. We found that most classifiers leverage only less than three critical features to achieve such accuracies, indicating that effective feature engineering could actually be far more important for intrusion detection than applying complicated models. We also discover that Random Forest provides the best performance in terms of accuracy, time efficiency and robustness. Data and code available at https://github.com/pcwhy/XML-IntrusionDetection.git
Fluorescence spectroscopy is a fundamental tool in life sciences and chemistry, widely used for applications such as environmental monitoring, food quality control, and biomedical diagnostics. However, analysis of spectroscopic data with deep learning, in particular of fluorescence excitation-emission matrices (EEMs), presents significant challenges due to the typically small and sparse datasets available. Furthermore, the analysis of EEMs is difficult due to their high dimensionality and overlapping spectral features. This study proposes a new approach that exploits domain adaptation with pretrained vision models, alongside a novel interpretability algorithm to address these challenges. Thanks to specialised feature engineering of the neural networks described in this work, we are now able to provide deeper insights into the physico-chemical processes underlying the data. The proposed approach is demonstrated through the analysis of the oxidation process in extra virgin olive oil (EVOO) during ageing, showing its effectiveness in predicting quality indicators and identifying the spectral bands, and thus the molecules involved in the process. This work describes a significantly innovative approach in the use of deep learning for spectroscopy, transforming it from a black box into a tool for understanding complex biological and chemical processes.