Efficient text embedding is crucial for large-scale natural language processing (NLP) applications, where storage and computational efficiency are key concerns. In this paper, we explore how using binary representations (barcodes) instead of real-valued features can be used for NLP embeddings derived from machine learning models such as BERT. Thresholding is a common method for converting continuous embeddings into binary representations, often using a fixed threshold across all features. We propose a Coordinate Search-based optimization framework that instead identifies the optimal threshold for each feature, demonstrating that feature-specific thresholds lead to improved performance in binary encoding. This ensures that the binary representations are both accurate and efficient, enhancing performance across various features. Our optimal barcode representations have shown promising results in various NLP applications, demonstrating their potential to transform text representation. We conducted extensive experiments and statistical tests on different NLP tasks and datasets to evaluate our approach and compare it to other thresholding methods. Binary embeddings generated using using optimal thresholds found by our method outperform traditional binarization methods in accuracy. This technique for generating binary representations is versatile and can be applied to any features, not just limited to NLP embeddings, making it useful for a wide range of domains in machine learning applications.

The rapid evolution of digital currency trading, fueled by the integration of blockchain technology, has led to both innovation and the emergence of smart Ponzi schemes. A smart Ponzi scheme is a fraudulent investment operation in smart contract that uses funds from new investors to pay returns to earlier investors. Traditional Ponzi scheme detection methods based on deep learning typically rely on fully supervised models, which require large amounts of labeled data. However, such data is often scarce, hindering effective model training. To address this challenge, we propose a novel contrastive learning framework, CASPER (Contrastive Approach for Smart Ponzi detectER with more negative samples), designed to enhance smart Ponzi scheme detection in blockchain transactions. By leveraging contrastive learning techniques, CASPER can learn more effective representations of smart contract source code using unlabeled datasets, significantly reducing both operational costs and system complexity. We evaluate CASPER on the XBlock dataset, where it outperforms the baseline by 2.3% in F1 score when trained with 100% labeled data. More impressively, with only 25% labeled data, CASPER achieves an F1 score nearly 20% higher than the baseline under identical experimental conditions. These results highlight CASPER's potential for effective and cost-efficient detection of smart Ponzi schemes, paving the way for scalable fraud detection solutions in the future.

This PhD thesis presents a distributional view of optimization in place of a worst-case perspective. We motivate this view with an investigation of the failure point of classical optimization. Subsequently we consider the optimization of a randomly drawn objective function. This is the setting of Bayesian Optimization. After a review of Bayesian optimization we outline how such a distributional view may explain predictable progress of optimization in high dimension. It further turns out that this distributional view provides insights into optimal step size control of gradient descent. To enable these results, we develop mathematical tools to deal with random input to random functions and a characterization of non-stationary isotropic covariance kernels. Finally, we outline how assumptions about the data, specifically exchangability, can lead to random objective functions in machine learning and analyze their landscape.

The field of causal inference has developed a variety of methods to accurately estimate treatment effects in the presence of nuisance. Meanwhile, the field of identifiability theory has developed methods like Independent Component Analysis (ICA) to identify latent sources and mixing weights from data. While these two research communities have developed largely independently, they aim to achieve similar goals: the accurate and sample-efficient estimation of model parameters. In the partially linear regression (PLR) setting, Mackey et al. (2018) recently found that estimation consistency can be improved with non-Gaussian treatment noise. Non-Gaussianity is also a crucial assumption for identifying latent factors in ICA. We provide the first theoretical and empirical insights into this connection, showing that ICA can be used for causal effect estimation in the PLR model. Surprisingly, we find that linear ICA can accurately estimate multiple treatment effects even in the presence of Gaussian confounders or nonlinear nuisance.

Monitoring for changes in a predictive relationship represented by a fitted supervised learning model (aka concept drift detection) is a widespread problem, e.g., for retrospective analysis to determine whether the predictive relationship was stable over the training data, for prospective analysis to determine when it is time to update the predictive model, for quality control of processes whose behavior can be characterized by a predictive relationship, etc. A general and powerful Fisher score-based concept drift approach has recently been proposed, in which concept drift detection reduces to detecting changes in the mean of the model's score vector using a multivariate exponentially weighted moving average (MEWMA). To implement the approach, the initial data must be split into two subsets. The first subset serves as the training sample to which the model is fit, and the second subset serves as an out-of-sample test set from which the MEWMA control limit (CL) is determined. In this paper, we develop a novel bootstrap procedure for computing the CL. Our bootstrap CL provides much more accurate control of false-alarm rate, especially when the sample size and/or false-alarm rate is small. It also allows the entire initial sample to be used for training, resulting in a more accurate fitted supervised learning model. We show that a standard nested bootstrap (inner loop accounting for future data variability and outer loop accounting for training sample variability) substantially underestimates variability and develop a 632-like correction that appropriately accounts for this. We demonstrate the advantages with numerical examples.

The next generation of Department of Energy supercomputers will be capable of exascale computation. For these machines, far more computation will be possible than that which can be saved to disk. As a result, users will be unable to rely on post-hoc access to data for uncertainty quantification and other statistical analyses and there will be an urgent need for sophisticated machine learning algorithms which can be trained in situ. Algorithms deployed in this setting must be highly scalable, memory efficient and capable of handling data which is distributed across nodes as spatially contiguous partitions. One suitable approach involves fitting a sparse variational Gaussian process (SVGP) model independently and in parallel to each spatial partition. The resulting model is scalable, efficient and generally accurate, but produces the undesirable effect of constructing discontinuous response surfaces due to the disagreement between neighboring models at their shared boundary. In this paper, we extend this idea by allowing for a small amount of communication between neighboring spatial partitions which encourages better alignment of the local models, leading to smoother spatial predictions and a better fit in general. Due to our decentralized communication scheme, the proposed extension remains highly scalable and adds very little overhead in terms of computation (and none, in terms of memory). We demonstrate this Partitioned SVGP (PSVGP) approach for the Energy Exas-cale Earth System Model (E3SM) and compare the results to the independent SVGP case.

Regularized linear discriminant analysis (RLDA) is a widely used tool for classification and dimensionality reduction, but its performance in high-dimensional scenarios is inconsistent. Existing theoretical analyses of RLDA often lack clear insight into how data structure affects classification performance. To address this issue, we derive a non-asymptotic approximation of the misclassification rate and thus analyze the structural effect and structural adjustment strategies of RLDA. Based on this, we propose the Spectral Enhanced Discriminant Analysis (SEDA) algorithm, which optimizes the data structure by adjusting the spiked eigenvalues of the population covariance matrix. By developing a new theoretical result on eigenvectors in random matrix theory, we derive an asymptotic approximation on the misclassification rate of SEDA. The bias correction algorithm and parameter selection strategy are then obtained. Experiments on synthetic and real datasets show that SEDA achieves higher classification accuracy and dimensionality reduction compared to existing LDA methods.

Active learning (AL) aims to optimize model training and reduce annotation costs by selecting the most informative samples for labeling. Typically, AL methods rely on the empirical distribution of labeled data to define the decision boundary and perform uncertainty or diversity estimation, subsequently identifying potential high-quality samples. In few-shot scenarios, the empirical distribution often diverges significantly from the target distribution, causing the decision boundary to shift away from its optimal position. However, existing methods overlook the role of unlabeled samples in enhancing the empirical distribution to better align with the target distribution, resulting in a suboptimal decision boundary and the selection of samples that inadequately represent the target distribution. To address this, we propose a hybrid AL framework, termed \textbf{PromptAL} (Sample-Aware Dynamic Soft \textbf{Prompts} for Few-Shot \textbf{A}ctive \textbf{L}earning). This framework accounts for the contribution of each unlabeled data point in aligning the current empirical distribution with the target distribution, thereby optimizing the decision boundary. Specifically, PromptAL first leverages unlabeled data to construct sample-aware dynamic soft prompts that adjust the model's predictive distribution and decision boundary. Subsequently, based on the adjusted decision boundary, it integrates uncertainty estimation with both global and local diversity to select high-quality samples that more accurately represent the target distribution. Experimental results on six in-domain and three out-of-domain datasets show that PromptAL achieves superior performance over nine baselines. Our codebase is openly accessible.

Machine learning models for molecular property prediction generally rely on representations -- such as SMILES strings and molecular graphs -- that overlook the surface-local phenomena driving intermolecular behavior. 3D-based approaches often reduce surface detail or require computationally expensive SE(3)-equivariant architectures to manage spatial variance. To overcome these limitations, this work introduces AMPTCR (Aligned Manifold Property and Topology Cloud Representation), a molecular surface representation that combines local quantum-derived scalar fields and custom topological descriptors within an aligned point cloud format. Each surface point includes a chemically meaningful scalar, geodesically derived topology vectors, and coordinates transformed into a canonical reference frame, enabling efficient learning with conventional SE(3)-sensitive architectures. AMPTCR is evaluated using a DGCNN framework on two tasks: molecular weight and bacterial growth inhibition. For molecular weight, results confirm that AMPTCR encodes physically meaningful data, with a validation R^2 of 0.87. In the bacterial inhibition task, AMPTCR enables both classification and direct regression of E. coli inhibition values using Dual Fukui functions as the electronic descriptor and Morgan Fingerprints as auxiliary data, achieving an ROC AUC of 0.912 on the classification task, and an R^2 of 0.54 on the regression task. These results help demonstrate that AMPTCR offers a compact, expressive, and architecture-agnostic representation for modeling surface-mediated molecular properties.

Radiomics-based AI models show promise for breast cancer diagnosis but often lack interpretability, limiting clinical adoption. This study addresses the gap between radiomic features (RF) and the standardized BI-RADS lexicon by proposing a dual-dictionary framework. First, a Clinically-Informed Feature Interpretation Dictionary (CIFID) was created by mapping 56 RFs to BI-RADS descriptors (shape, margin, internal enhancement) through literature and expert review. The framework was applied to classify triple-negative breast cancer (TNBC) versus non-TNBC using dynamic contrast-enhanced MRI from a multi-institutional cohort of 1,549 patients. We trained 27 machine learning classifiers with 27 feature selection methods. SHapley Additive exPlanations (SHAP) were used to interpret predictions and generate a complementary Data-Driven Feature Interpretation Dictionary (DDFID) for 52 additional RFs. The best model, combining Variance Inflation Factor (VIF) selection with Extra Trees Classifier, achieved an average cross-validation accuracy of 0.83. Key predictive RFs aligned with clinical knowledge: higher Sphericity (round/oval shape) and lower Busyness (more homogeneous enhancement) were associated with TNBC. The framework confirmed known imaging biomarkers and uncovered novel, interpretable associations. This dual-dictionary approach (BM1.0) enhances AI model transparency and supports the integration of RFs into routine breast cancer diagnosis and personalized care.