Regression
In-Context Linear Regression Demystified: Training Dynamics and Mechanistic Interpretability of Multi-Head Softmax Attention
He, Jianliang, Pan, Xintian, Chen, Siyu, Yang, Zhuoran
We study how multi-head softmax attention models are trained to perform in-context learning on linear data. Through extensive empirical experiments and rigorous theoretical analysis, we demystify the emergence of elegant attention patterns: a diagonal and homogeneous pattern in the key-query (KQ) weights, and a last-entry-only and zero-sum pattern in the output-value (OV) weights. Remarkably, these patterns consistently appear from gradient-based training starting from random initialization. Our analysis reveals that such emergent structures enable multi-head attention to approximately implement a debiased gradient descent predictor -- one that outperforms single-head attention and nearly achieves Bayesian optimality up to proportional factor. Furthermore, compared to linear transformers, the softmax attention readily generalizes to sequences longer than those seen during training. We also extend our study to scenarios with non-isotropic covariates and multi-task linear regression. In the former, multi-head attention learns to implement a form of pre-conditioned gradient descent. In the latter, we uncover an intriguing regime where the interplay between head number and task number triggers a superposition phenomenon that efficiently resolves multi-task in-context learning. Our results reveal that in-context learning ability emerges from the trained transformer as an aggregated effect of its architecture and the underlying data distribution, paving the way for deeper understanding and broader applications of in-context learning.
Mixed-feature Logistic Regression Robust to Distribution Shifts
Sun, Qingshi, Justin, Nathan, Gomez, Andres, Vayanos, Phebe
Logistic regression models are widely used in the social and behavioral sciences and in high-stakes domains, due to their simplicity and interpretability properties. At the same time, such domains are permeated by distribution shifts, where the distribution generating the data changes between training and deployment. In this paper, we study a distributionally robust logistic regression problem that seeks the model that will perform best against adversarial realizations of the data distribution drawn from a suitably constructed Wasserstein ambiguity set. Our model and solution approach differ from prior work in that we can capture settings where the likelihood of distribution shifts can vary across features, significantly broadening the applicability of our model relative to the state-of-the-art. We propose a graph-based solution approach that can be integrated into off-the-shelf optimization solvers. We evaluate the performance of our model and algorithms on numerous publicly available datasets. Our solution achieves a 408x speed-up relative to the state-of-the-art. Additionally, compared to the state-of-the-art, our model reduces average calibration error by up to 36.19% and worst-case calibration error by up to 41.70%, while increasing the average area under the ROC curve (AUC) by up to 18.02% and worst-case AUC by up to 48.37%.
Machine Learning-Based Model for Postoperative Stroke Prediction in Coronary Artery Disease
Pan, Haonan, Chen, Shuheng, Pishgar, Elham, Alaei, Kamiar, Placencia, Greg, Pishgar, Maryam
Coronary artery disease remains one of the leading causes of mortality globally. Despite advances in revascularization treatments like PCI and CABG, postoperative stroke is inevitable. This study aims to develop and evaluate a sophisticated machine learning prediction model to assess postoperative stroke risk in coronary revascularization patients.This research employed data from the MIMIC-IV database, consisting of a cohort of 7023 individuals. Study data included clinical, laboratory, and comorbidity variables. To reduce multicollinearity, variables with over 30% missing values and features with a correlation coefficient larger than 0.9 were deleted. The dataset has 70% training and 30% test. The Random Forest technique interpolated residual dataset missing values. Numerical values were normalized, whereas categorical variables were one-hot encoded. LASSO regularization selected features, and grid search found model hyperparameters. Finally, Logistic Regression, XGBoost, SVM, and CatBoost were employed for predictive modeling, and SHAP analysis assessed stroke risk for each variable. AUC of 0.855 (0.829-0.878) showed that SVM model outperformed logistic regression and CatBoost models in prior research. SHAP research showed that the Charlson Comorbidity Index (CCI), diabetes, chronic kidney disease, and heart failure are significant prognostic factors for postoperative stroke. This study shows that improved machine learning reduces overfitting and improves model predictive accuracy. Models using the CCI alone cannot predict postoperative stroke risk as accurately as those using independent comorbidity variables. The suggested technique provides a more thorough and individualized risk assessment by encompassing a wider range of clinically relevant characteristics, making it a better reference for preoperative risk assessments and targeted intervention.
Assessing the validity of new paradigmatic complexity measures as criterial features for proficiency in L2 writings in English
Mallart, Cyriel, Simpkin, Andrew, Ballier, Nicolas, Lissรณn, Paula, Venant, Rรฉmi, Li, Jen-Yu, Stearns, Bernardo, Gaillat, Thomas
This article addresses Second Language (L2) writing development through an investigation of new grammatical and structural complexity metrics. We explore the paradigmatic production in learner English by linking language functions to specific grammatical paradigms. Using the EFCAMDAT as a gold standard and a corpus of French learners as an external test set, we employ a supervised learning framework to operationalise and evaluate seven microsystems. We show that learner levels are associated with the seven microsystems (MS). Using ordinal regression modelling for evaluation, the results show that all MS are significant but yield a low impact if taken individually. However, their influence is shown to be impactful if taken as a group. These microsystems and their measurement method suggest that it is possible to use them as part of broader-purpose CALL systems focused on proficiency assessment.
Training Diagonal Linear Networks with Stochastic Sharpness-Aware Minimization
Clara, Gabriel, Langer, Sophie, Schmidt-Hieber, Johannes
We analyze the landscape and training dynamics of diagonal linear networks in a linear regression task, with the network parameters being perturbed by small isotropic normal noise. The addition of such noise may be interpreted as a stochastic form of sharpness-aware minimization (SAM) and we prove several results that relate its action on the underlying landscape and training dynamics to the sharpness of the loss. In particular, the noise changes the expected gradient to force balancing of the weight matrices at a fast rate along the descent trajectory. In the diagonal linear model, we show that this equates to minimizing the average sharpness, as well as the trace of the Hessian matrix, among all possible factorizations of the same matrix. Further, the noise forces the gradient descent iterates towards a shrinkage-thresholding of the underlying true parameter, with the noise level explicitly regulating both the shrinkage factor and the threshold.
GBSVR: Granular Ball Support Vector Regression
Rastogi, Reshma, Bisht, Ankush, Kumar, Sanjay, Chandra, Suresh
Support Vector Regression (SVR) and its variants are widely used to handle regression tasks, however, since their solution involves solving an expensive quadratic programming problem, it limits its application, especially when dealing with large datasets. Additionally, SVR uses an epsilon-insensitive loss function which is sensitive to outliers and therefore can adversely affect its performance. We propose Granular Ball Support Vector Regression (GBSVR) to tackle problem of regression by using granular ball concept. These balls are useful in simplifying complex data spaces for machine learning tasks, however, to the best of our knowledge, they have not been sufficiently explored for regression problems. Granular balls group the data points into balls based on their proximity and reduce the computational cost in SVR by replacing the large number of data points with far fewer granular balls. This work also suggests a discretization method for continuous-valued attributes to facilitate the construction of granular balls. The effectiveness of the proposed approach is evaluated on several benchmark datasets and it outperforms existing state-of-the-art approaches
The Impact of Item-Writing Flaws on Difficulty and Discrimination in Item Response Theory
Schmucker, Robin, Moore, Steven
High-quality test items are essential for educational assessments, particularly within Item Response Theory (IRT). Traditional validation methods rely on resource-intensive pilot testing to estimate item difficulty and discrimination. More recently, Item-Writing Flaw (IWF) rubrics emerged as a domain-general approach for evaluating test items based on textual features. However, their relationship to IRT parameters remains underexplored. To address this gap, we conducted a study involving over 7,000 multiple-choice questions across various STEM subjects (e.g., math and biology). Using an automated approach, we annotated each question with a 19-criteria IWF rubric and studied relationships to data-driven IRT parameters. Our analysis revealed statistically significant links between the number of IWFs and IRT difficulty and discrimination parameters, particularly in life and physical science domains. We further observed how specific IWF criteria can impact item quality more and less severely (e.g., negative wording vs. implausible distractors). Overall, while IWFs are useful for predicting IRT parameters--particularly for screening low-difficulty MCQs--they cannot replace traditional data-driven validation methods. Our findings highlight the need for further research on domain-general evaluation rubrics and algorithms that understand domain-specific content for robust item validation.
Extreme Learning Machines for Attention-based Multiple Instance Learning in Whole-Slide Image Classification
Krishnakumar, Rajiv, Baglio, Julien, Flรถther, Frederik F., Ruiz, Christian, Habringer, Stefan, Romano, Nicole H.
Whole-slide image classification represents a key challenge in computational pathology and medicine. Attention-based multiple instance learning (MIL) has emerged as an effective approach for this problem. However, the effect of attention mechanism architecture on model performance is not well-documented for biomedical imagery. In this work, we compare different methods and implementations of MIL, including deep learning variants. We introduce a new method using higher-dimensional feature spaces for deep MIL. We also develop a novel algorithm for whole-slide image classification where extreme machine learning is combined with attention-based MIL to improve sensitivity and reduce training complexity. We apply our algorithms to the problem of detecting circulating rare cells (CRCs), such as erythroblasts, in peripheral blood. Our results indicate that nonlinearities play a key role in the classification, as removing them leads to a sharp decrease in stability in addition to a decrease in average area under the curve (AUC) of over 4%. We also demonstrate a considerable increase in robustness of the model with improvements of over 10% in average AUC when higher-dimensional feature spaces are leveraged. In addition, we show that extreme learning machines can offer clear improvements in terms of training efficiency by reducing the number of trained parameters by a factor of 5 whilst still maintaining the average AUC to within 1.5% of the deep MIL model. Finally, we discuss options of enriching the classical computing framework with quantum algorithms in the future. This work can thus help pave the way towards more accurate and efficient single-cell diagnostics, one of the building blocks of precision medicine.
Parsing the Language of Expression: Enhancing Symbolic Regression with Domain-Aware Symbolic Priors
Huang, Sikai, Wen, Yixin Berry, Adusumilli, Tara, Choudhary, Kusum, Yang, Haizhao
Symbolic regression is essential for deriving interpretable expressions that elucidate complex phenomena by exposing the underlying mathematical and physical relationships in data. In this paper, we present an advanced symbolic regression method that integrates symbol priors from diverse scientific domains - including physics, biology, chemistry, and engineering - into the regression process. By systematically analyzing domain-specific expressions, we derive probability distributions of symbols to guide expression generation. We propose novel tree-structured recurrent neural networks (RNNs) that leverage these symbol priors, enabling domain knowledge to steer the learning process. Additionally, we introduce a hierarchical tree structure for representing expressions, where unary and binary operators are organized to facilitate more efficient learning. To further accelerate training, we compile characteristic expression blocks from each domain and include them in the operator dictionary, providing relevant building blocks. Experimental results demonstrate that leveraging symbol priors significantly enhances the performance of symbolic regression, resulting in faster convergence and higher accuracy.
Near-Polynomially Competitive Active Logistic Regression
Zhou, Yihan, Price, Eric, Nguyen, Trung
We address the problem of active logistic regression in the realizable setting. It is well known that active learning can require exponentially fewer label queries compared to passive learning, in some cases using $\log \frac{1}{\eps}$ rather than $\poly(1/\eps)$ labels to get error $\eps$ larger than the optimum. We present the first algorithm that is polynomially competitive with the optimal algorithm on every input instance, up to factors polylogarithmic in the error and domain size. In particular, if any algorithm achieves label complexity polylogarithmic in $\eps$, so does ours. Our algorithm is based on efficient sampling and can be extended to learn more general class of functions. We further support our theoretical results with experiments demonstrating performance gains for logistic regression compared to existing active learning algorithms.