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Supervised learning problems with side information in the form of a network arise frequently in applications in genomics, proteomics and neuroscience. For example, in genetic applications, the network side information can accurately capture background biological information on the intricate relations among the relevant genes. In this paper, we initiate a study of Bayes optimal learning in high-dimensional linear regression with network side information. To this end, we first introduce a simple generative model (called the Reg-Graph model) which posits a joint distribution for the supervised data and the observed network through a common set of latent parameters. Next, we introduce an iterative algorithm based on Approximate Message Passing (AMP) which is provably Bayes optimal under very general conditions. In addition, we characterize the limiting mutual information between the latent signal and the data observed, and thus precisely quantify the statistical impact of the network side information. Finally, supporting numerical experiments suggest that the introduced algorithm has excellent performance in finite samples.

We propose InCA, a lightweight method for transfer learning that cross-attends to any activation layer of a pre-trained model. During training, InCA uses a single forward pass to extract multiple activations, which are passed to external cross-attention adapters, trained anew and combined or selected for downstream tasks. We show that, even when selecting a single top-scoring adapter, InCA achieves performance comparable to full fine-tuning, at a cost comparable to fine-tuning just the last layer. For example, with a cross-attention probe 1.3% the size of a pre-trained ViT-L/16 model, we achieve performance within 0.2% of the full fine-tuning paragon at a computational training cost of 51% of the baseline, on average across 11 downstream classification. Unlike other forms of efficient adaptation, InCA does not require backpropagating through the pre-trained model, thus leaving its execution unaltered at both training and inference. The versatility of InCA is best illustrated in fine-grained tasks, which may require accessing information absent in the last layer but accessible in intermediate layer activations. Since the backbone is fixed, InCA allows parallel ensembling as well as parallel execution of multiple tasks. InCA achieves state-of-the-art performance in the ImageNet-to-Sketch multi-task benchmark.

Data-driven modeling is useful for reconstructing nonlinear dynamical systems when the underlying process is unknown or too expensive to compute. Having reliable uncertainty assessment of the forecast enables tools to be deployed to predict new scenarios unobserved before. In this work, we first extend parallel partial Gaussian processes for predicting the vector-valued transition function that links the observations between the current and next time points, and quantify the uncertainty of predictions by posterior sampling. Second, we show the equivalence between the dynamic mode decomposition and the maximum likelihood estimator of the linear mapping matrix in the linear state space model. The connection provides a {probabilistic generative} model of dynamic mode decomposition and thus, uncertainty of predictions can be obtained. Furthermore, we draw close connections between different data-driven models for approximating nonlinear dynamics, through a unified view of generative models. We study two numerical examples, where the inputs of the dynamics are assumed to be known in the first example and the inputs are unknown in the second example. The examples indicate that uncertainty of forecast can be properly quantified, whereas model or input misspecification can degrade the accuracy of uncertainty quantification.

Student simulation presents a transformative approach to enhance learning outcomes, advance educational research, and ultimately shape the future of effective pedagogy. We explore the feasibility of using large language models (LLMs), a remarkable achievement in AI, to simulate student learning behaviors. Unlike conventional machine learning based prediction, we leverage LLMs to instantiate virtual students with specific demographics and uncover intricate correlations among learning experiences, course materials, understanding levels, and engagement. Our objective is not merely to predict learning outcomes but to replicate learning behaviors and patterns of real students. We validate this hypothesis through three experiments. The first experiment, based on a dataset of N = 145, simulates student learning outcomes from demographic data, revealing parallels with actual students concerning various demographic factors. The second experiment (N = 4524) results in increasingly realistic simulated behaviors with more assessment history for virtual students modelling. The third experiment (N = 27), incorporating prior knowledge and course interactions, indicates a strong link between virtual students' learning behaviors and fine-grained mappings from test questions, course materials, engagement and understanding levels. Collectively, these findings deepen our understanding of LLMs and demonstrate its viability for student simulation, empowering more adaptable curricula design to enhance inclusivity and educational effectiveness.

The rising popularity of deep learning (DL) methods and techniques has invigorated interest in the topic of SE4DL, the application of software engineering (SE) practices on deep learning software. Despite the novel engineering challenges brought on by the data-driven and non-deterministic paradigm of DL software, little work has been invested into developing AI-targeted SE tools. On the other hand, tools tackling more general engineering issues in DL are actively used and referred to under the umbrella term of ``MLOps tools''. Furthermore, the available literature supports the utility of conventional SE tooling in DL software development. Building upon previous MSR research on tool usage in open-source software works, we identify conventional and MLOps tools adopted in popular applied DL projects that use Python as the main programming language. About 70% of the GitHub repositories mined contained at least one conventional SE tool. Software configuration management tools are the most adopted, while the opposite applies to maintenance tools. Substantially fewer MLOps tools were in use, with only 9 tools out of a sample of 80 used in at least one repository. The majority of them were open-source rather than proprietary. One of these tools, TensorBoard, was found to be adopted in about half of the repositories in our study. Consequently, the use of conventional SE tooling demonstrates its relevance to DL software. Further research is recommended on the adoption of MLOps tooling by open-source projects, focusing on the relevance of particular tool types, the development of required tools, as well as ways to promote the use of already available tools.

This work presents a comparative study to numerically compute impulse approximate controls for parabolic equations with various boundary conditions. Theoretical controllability results have been recently investigated using a logarithmic convexity estimate at a single time based on a Carleman commutator approach. We propose a numerical algorithm for computing the impulse controls with minimal $L^2$-norms by adapting a penalized Hilbert Uniqueness Method (HUM) combined with a Conjugate Gradient (CG) method. We consider static boundary conditions (Dirichlet and Neumann) and dynamic boundary conditions. Some numerical experiments based on our developed algorithm are given to validate and compare the theoretical impulse controllability results.

Conformal inference is a fundamental and versatile tool that provides distribution-free guarantees for many machine learning tasks. We consider the transductive setting, where decisions are made on a test sample of $m$ new points, giving rise to $m$ conformal $p$-values. {While classical results only concern their marginal distribution, we show that their joint distribution follows a P\'olya urn model, and establish a concentration inequality for their empirical distribution function.} The results hold for arbitrary exchangeable scores, including {\it adaptive} ones that can use the covariates of the test+calibration samples at training stage for increased accuracy. We demonstrate the usefulness of these theoretical results through uniform, in-probability guarantees for two machine learning tasks of current interest: interval prediction for transductive transfer learning and novelty detection based on two-class classification.

Deep learning is usually described as an experiment-driven field under continuous criticizes of lacking theoretical foundations. This problem has been partially fixed by a large volume of literature which has so far not been well organized. This paper reviews and organizes the recent advances in deep learning theory. The literature is categorized in six groups: (1) complexity and capacity-based approaches for analyzing the generalizability of deep learning; (2) stochastic differential equations and their dynamic systems for modelling stochastic gradient descent and its variants, which characterize the optimization and generalization of deep learning, partially inspired by Bayesian inference; (3) the geometrical structures of the loss landscape that drives the trajectories of the dynamic systems; (4) the roles of over-parameterization of deep neural networks from both positive and negative perspectives; (5) theoretical foundations of several special structures in network architectures; and (6) the increasingly intensive concerns in ethics and security and their relationships with generalizability.

Machine-learning models have demonstrated great success in learning complex patterns that enable them to make predictions about unobserved data. In addition to using models for prediction, the ability to interpret what a model has learned is receiving an increasing amount of attention. However, this increased focus has led to considerable confusion about the notion of interpretability. In particular, it is unclear how the wide array of proposed interpretation methods are related, and what common concepts can be used to evaluate them. We aim to address these concerns by defining interpretability in the context of machine learning and introducing the Predictive, Descriptive, Relevant (PDR) framework for discussing interpretations. The PDR framework provides three overarching desiderata for evaluation: predictive accuracy, descriptive accuracy and relevancy, with relevancy judged relative to a human audience. Moreover, to help manage the deluge of interpretation methods, we introduce a categorization of existing techniques into model-based and post-hoc categories, with sub-groups including sparsity, modularity and simulatability. To demonstrate how practitioners can use the PDR framework to evaluate and understand interpretations, we provide numerous real-world examples. These examples highlight the often under-appreciated role played by human audiences in discussions of interpretability. Finally, based on our framework, we discuss limitations of existing methods and directions for future work. We hope that this work will provide a common vocabulary that will make it easier for both practitioners and researchers to discuss and choose from the full range of interpretation methods.