We introduce a new debiasing framework for high-dimensional linear regression that bypasses the restrictions on covariate distributions imposed by modern debiasing technology. We study the prevalent setting where the number of features and samples are both large and comparable. In this context, state-of-the-art debiasing technology uses a degrees-of-freedom correction to remove the shrinkage bias of regularized estimators and conduct inference. However, this method requires that the observed samples are i.i.d., the covariates follow a mean zero Gaussian distribution, and reliable covariance matrix estimates for observed features are available. This approach struggles when (i) covariates are non-Gaussian with heavy tails or asymmetric distributions, (ii) rows of the design exhibit heterogeneity or dependencies, and (iii) reliable feature covariance estimates are lacking. To address these, we develop a new strategy where the debiasing correction is a rescaled gradient descent step (suitably initialized) with step size determined by the spectrum of the sample covariance matrix. Unlike prior work, we assume that eigenvectors of this matrix are uniform draws from the orthogonal group. We show this assumption remains valid in diverse situations where traditional debiasing fails, including designs with complex row-column dependencies, heavy tails, asymmetric properties, and latent low-rank structures. We establish asymptotic normality of our proposed estimator (centered and scaled) under various convergence notions. Moreover, we develop a consistent estimator for its asymptotic variance. Lastly, we introduce a debiased Principal Components Regression (PCR) technique using our Spectrum-Aware approach. In varied simulations and real data experiments, we observe that our method outperforms degrees-of-freedom debiasing by a margin.

In this article we prove that estimator stability is enough to show that leave-one-out cross validation is a sound procedure, by providing concentration bounds in a general framework. In particular, we provide concentration bounds beyond Lipschitz continuity assumptions on the loss or on the estimator. We obtain our results by relying on random variables with distribution satisfying the logarithmic Sobolev inequality, providing us a relatively rich class of distributions. We illustrate our method by considering several interesting examples, including linear regression, kernel density estimation, and stabilized/truncated estimators such as stabilized kernel regression. Mathematics Subject Classifications (2020): 62R07, 62G05, 60F15 Keywords: Leave-one-out cross validation, concentration inequalities, logarithmic Sobolev inequality, sub-Gaussian random variables 1. Introduction It is customary in many statistical and machine learning methods to use train-validation, where the data is split into a training set and a validation set. Then the training set is used for estimating (training) the model, while the validation set is used to measure the performance of the fitted model.

The embedding of Biomedical Knowledge Graphs (BKGs) generates robust representations, valuable for a variety of artificial intelligence applications, including predicting drug combinations and reasoning disease-drug relationships. Meanwhile, contrastive learning (CL) is widely employed to enhance the distinctiveness of these representations. However, constructing suitable contrastive pairs for CL, especially within Knowledge Graphs (KGs), has been challenging. In this paper, we proposed a novel node-based contrastive learning method for knowledge graph embedding, NC-KGE. NC-KGE enhances knowledge extraction in embeddings and speeds up training convergence by constructing appropriate contrastive node pairs on KGs. This scheme can be easily integrated with other knowledge graph embedding (KGE) methods. For downstream task such as biochemical relationship prediction, we have incorporated a relation-aware attention mechanism into NC-KGE, focusing on the semantic relationships and node interactions. Extensive experiments show that NC-KGE performs competitively with state-of-the-art models on public datasets like FB15k-237 and WN18RR. Particularly in biomedical relationship prediction tasks, NC-KGE outperforms all baselines on datasets such as PharmKG8k-28, DRKG17k-21, and BioKG72k-14, especially in predicting drug combination relationships. We release our code at https://github.com/zhi520/NC-KGE.

Quantum Computing (QC) claims to improve the efficiency of solving complex problems, compared to classical computing. When QC is applied to Machine Learning (ML) applications, it forms a Quantum Machine Learning (QML) system. After discussing the basic concepts of QC and its advantages over classical computing, this paper reviews the key aspects of QML in a comprehensive manner. We discuss different QML algorithms and their domain applicability, quantum datasets, hardware technologies, software tools, simulators, and applications. In this survey, we provide valuable information and resources for readers to jumpstart into the current state-of-the-art techniques in the QML field.

As language models (LMs) become more capable, it is increasingly important to align them with human preferences. However, the dominant paradigm for training Preference Models (PMs) for that purpose suffers from fundamental limitations, such as lack of transparency and scalability, along with susceptibility to overfitting the preference dataset. We propose Compositional Preference Models (CPMs), a novel PM framework that decomposes one global preference assessment into several interpretable features, obtains scalar scores for these features from a prompted LM, and aggregates these scores using a logistic regression classifier. CPMs allow to control which properties of the preference data are used to train the preference model and to build it based on features that are believed to underlie the human preference judgment. Our experiments show that CPMs not only improve generalization and are more robust to overoptimization than standard PMs, but also that best-of-n samples obtained using CPMs tend to be preferred over samples obtained using conventional PMs. Overall, our approach demonstrates the benefits of endowing PMs with priors about which features determine human preferences while relying on LM capabilities to extract those features in a scalable and robust way.

The majority of data assimilation (DA) methods in the geosciences are based on Gaussian assumptions. While these assumptions facilitate efficient algorithms, they cause analysis biases and subsequent forecast degradations. Non-parametric, particle-based DA algorithms have superior accuracy, but their application to high-dimensional models still poses operational challenges. Drawing inspiration from recent advances in the field of generative artificial intelligence (AI), this article introduces a new nonlinear estimation theory which attempts to bridge the existing gap in DA methodology. Specifically, a Conjugate Transform Filter (CTF) is derived and shown to generalize the celebrated Kalman filter to arbitrarily non-Gaussian distributions. The new filter has several desirable properties, such as its ability to preserve statistical relationships in the prior state and convergence to highly accurate observations. An ensemble approximation of the new theory (ECTF) is also presented and validated using idealized statistical experiments that feature bounded quantities with non-Gaussian distributions, a prevalent challenge in Earth system models. Results from these experiments indicate that the greatest benefits from ECTF occur when observation errors are small relative to the forecast uncertainty and when state variables exhibit strong nonlinear dependencies. Ultimately, the new filtering theory offers exciting avenues for improving conventional DA algorithms through their principled integration with AI techniques.

The impressive success of recent deep neural network (DNN)-based systems is significantly influenced by the high-quality datasets used in training. However, the effects of the datasets, especially how they interact with each other, remain underexplored. We propose a state-vector framework to enable rigorous studies in this direction. This framework uses idealized probing test results as the bases of a vector space. This framework allows us to quantify the effects of both standalone and interacting datasets. We show that the significant effects of some commonly-used language understanding datasets are characteristic and are concentrated on a few linguistic dimensions. Additionally, we observe some ``spill-over'' effects: the datasets could impact the models along dimensions that may seem unrelated to the intended tasks. Our state-vector framework paves the way for a systematic understanding of the dataset effects, a crucial component in responsible and robust model development.

Spectral clustering is a popular and effective algorithm designed to find $k$ clusters in a graph $G$. In the classical spectral clustering algorithm, the vertices of $G$ are embedded into $\mathbb{R}^k$ using $k$ eigenvectors of the graph Laplacian matrix. However, computing this embedding is computationally expensive and dominates the running time of the algorithm. In this paper, we present a simple spectral clustering algorithm based on a vertex embedding with $O(\log(k))$ vectors computed by the power method. The vertex embedding is computed in nearly-linear time with respect to the size of the graph, and the algorithm provably recovers the ground truth clusters under natural assumptions on the input graph. We evaluate the new algorithm on several synthetic and real-world datasets, finding that it is significantly faster than alternative clustering algorithms, while producing results with approximately the same clustering accuracy.

Telehealth is a valuable tool for primary health care (PHC), where depression is a common condition. PHC is the first point of contact for most people with depression, but about 25% of diagnoses made by PHC physicians are inaccurate. Many other barriers also hinder depression detection and treatment in PHC. Artificial intelligence (AI) may help reduce depression misdiagnosis in PHC and improve overall diagnosis and treatment outcomes. Telehealth consultations often have video issues, such as poor connectivity or dropped calls. Audio-only telehealth is often more practical for lower-income patients who may lack stable internet connections. Thus, our study focused on using audio data to predict depression risk. The objectives were to: 1) Collect audio data from 24 people (12 with depression and 12 without mental health or major health condition diagnoses); 2) Build a machine learning model to predict depression risk. TPOT, an autoML tool, was used to select the best machine learning algorithm, which was the K-nearest neighbors classifier. The selected model had high performance in classifying depression risk (Precision: 0.98, Recall: 0.93, F1-Score: 0.96). These findings may lead to a range of tools to help screen for and treat depression. By developing tools to detect depression risk, patients can be routed to AI-driven chatbots for initial screenings. Partnerships with a range of stakeholders are crucial to implementing these solutions. Moreover, ethical considerations, especially around data privacy and potential biases in AI models, need to be at the forefront of any AI-driven intervention in mental health care.

Software has eaten the world with many of the necessities and quality of life services people use requiring software. Therefore, tools that improve the software development experience can have a significant impact on the world such as generating code and test cases, detecting bugs, question and answering, etc. The success of Deep Learning (DL) over the past decade has shown huge advancements in automation across many domains, including Software Development processes. One of the main reasons behind this success is the availability of large datasets such as open-source code available through GitHub or image datasets of mobile Graphical User Interfaces (GUIs) with RICO [112] and ReDRAW [267] to be trained on. Therefore, the central research question my dissertation explores is: In what ways can the software development process be improved through leveraging DL techniques on the vast amounts of unstructured software engineering artifacts? We coin the approaches that leverage DL to automate or augment various software development task as Intelligent Software Tools.