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Dealing with uncertainty in optimization parameters is an important and longstanding challenge. Typically, uncertain parameters are predicted accurately, and then a deterministic optimization problem is solved. However, the decisions produced by this so-called \emph{predict-then-optimize} procedure can be highly sensitive to uncertain parameters. In this work, we contribute to recent efforts in producing \emph{decision-focused} predictions, i.e., to build predictive models that are constructed with the goal of minimizing a \emph{regret} measure on the decisions taken with them. We begin by formulating the exact expected regret minimization as a pessimistic bilevel optimization model. Then, we establish NP-completeness of this problem, even in a heavily restricted case. Using duality arguments, we reformulate it as a non-convex quadratic optimization problem. Finally, we show various computational techniques to achieve tractability. We report extensive computational results on shortest-path instances with uncertain cost vectors. Our results indicate that our approach can improve training performance over the approach of Elmachtoub and Grigas (2022), a state-of-the-art method for decision-focused learning.

Recent advances in artificial intelligence (AI) have produced systems capable of increasingly sophisticated performance on cognitive tasks. However, AI systems still struggle in critical ways: unpredictable and novel environments (robustness), lack of transparency in their reasoning (explainability), challenges in communication and commitment (cooperation), and risks due to potential harmful actions (safety). We argue that these shortcomings stem from one overarching failure: AI systems lack wisdom. Drawing from cognitive and social sciences, we define wisdom as the ability to navigate intractable problems - those that are ambiguous, radically uncertain, novel, chaotic, or computationally explosive - through effective task-level and metacognitive strategies. While AI research has focused on task-level strategies, metacognition - the ability to reflect on and regulate one's thought processes - is underdeveloped in AI systems. In humans, metacognitive strategies such as recognizing the limits of one's knowledge, considering diverse perspectives, and adapting to context are essential for wise decision-making. We propose that integrating metacognitive capabilities into AI systems is crucial for enhancing their robustness, explainability, cooperation, and safety. By focusing on developing wise AI, we suggest an alternative to aligning AI with specific human values - a task fraught with conceptual and practical difficulties. Instead, wise AI systems can thoughtfully navigate complex situations, account for diverse human values, and avoid harmful actions. We discuss potential approaches to building wise AI, including benchmarking metacognitive abilities and training AI systems to employ wise reasoning. Prioritizing metacognition in AI research will lead to systems that act not only intelligently but also wisely in complex, real-world situations.

The majority of fault-tolerant distributed algorithms are designed assuming a nominal corruption model, in which at most a fraction $f_n$ of parties can be corrupted by the adversary. However, due to the infamous Sybil attack, nominal models are not sufficient to express the trust assumptions in open (i.e., permissionless) settings. Instead, permissionless systems typically operate in a weighted model, where each participant is associated with a weight and the adversary can corrupt a set of parties holding at most a fraction $f_w$ of the total weight. In this paper, we suggest a simple way to transform a large class of protocols designed for the nominal model into the weighted model. To this end, we formalize and solve three novel optimization problems, which we collectively call the weight reduction problems, that allow us to map large real weights into small integer weights while preserving the properties necessary for the correctness of the protocols. In all cases, we manage to keep the sum of the integer weights to be at most linear in the number of parties, resulting in extremely efficient protocols for the weighted model. Moreover, we demonstrate that, on weight distributions that emerge in practice, the sum of the integer weights tends to be far from the theoretical worst case and, sometimes, even smaller than the number of participants. While, for some protocols, our transformation requires an arbitrarily small reduction in resilience (i.e., $f_w = f_n - \epsilon$), surprisingly, for many important problems, we manage to obtain weighted solutions with the same resilience ($f_w = f_n$) as nominal ones. Notable examples include erasure-coded distributed storage and broadcast protocols, verifiable secret sharing, and asynchronous consensus.

Many models require integrals of high-dimensional functions: for instance, to obtain marginal likelihoods. Such integrals may be intractable, or too expensive to compute numerically. Instead, we can use the Laplace approximation (LA). The LA is exact if the function is proportional to a normal density; its effectiveness therefore depends on the function's true shape. Here, we propose the use of the probabilistic numerical framework to develop a diagnostic for the LA and its underlying shape assumptions, modelling the function and its integral as a Gaussian process and devising a "test" by conditioning on a finite number of function values. The test is decidedly non-asymptotic and is not intended as a full substitute for numerical integration - rather, it is simply intended to test the feasibility of the assumptions underpinning the LA with as minimal computation. We discuss approaches to optimize and design the test, apply it to known sample functions, and highlight the challenges of high dimensions.

Methods for analyzing representations in neural systems are increasingly popular tools in neuroscience and mechanistic interpretability. Measures comparing neural activations across conditions, architectures, and species give scalable ways to understand information transformation within different neural networks. However, recent findings show that some metrics respond to spurious signals, leading to misleading results. Establishing benchmark test cases is thus essential for identifying the most reliable metric and potential improvements. We propose that compositional learning in recurrent neural networks (RNNs) can provide a test case for dynamical representation alignment metrics. Implementing this case allows us to evaluate if metrics can identify representations that develop throughout learning and determine if representations identified by metrics reflect the network's actual computations. Building both attractor and RNN based test cases, we show that the recently proposed Dynamical Similarity Analysis (DSA) is more noise robust and reliably identifies behaviorally relevant representations compared to prior metrics (Procrustes, CKA). We also demonstrate how such test cases can extend beyond metric evaluation to study new architectures. Specifically, testing DSA in modern (Mamba) state space models suggests that these models, unlike RNNs, may not require changes in recurrent dynamics due to their expressive hidden states. Overall, we develop test cases that showcase how DSA's enhanced ability to detect dynamical motifs makes it highly effective for identifying ongoing computations in RNNs and revealing how networks learn tasks.

This dissertation studies a fundamental open challenge in deep learning theory: why do deep networks generalize well even while being overparameterized, unregularized and fitting the training data to zero error? In the first part of the thesis, we will empirically study how training deep networks via stochastic gradient descent implicitly controls the networks' capacity. Subsequently, to show how this leads to better generalization, we will derive {\em data-dependent} {\em uniform-convergence-based} generalization bounds with improved dependencies on the parameter count. Uniform convergence has in fact been the most widely used tool in deep learning literature, thanks to its simplicity and generality. Given its popularity, in this thesis, we will also take a step back to identify the fundamental limits of uniform convergence as a tool to explain generalization. In particular, we will show that in some example overparameterized settings, {\em any} uniform convergence bound will provide only a vacuous generalization bound. With this realization in mind, in the last part of the thesis, we will change course and introduce an {\em empirical} technique to estimate generalization using unlabeled data. Our technique does not rely on any notion of uniform-convergece-based complexity and is remarkably precise. We will theoretically show why our technique enjoys such precision. We will conclude by discussing how future work could explore novel ways to incorporate distributional assumptions in generalization bounds (such as in the form of unlabeled data) and explore other tools to derive bounds, perhaps by modifying uniform convergence or by developing completely new tools altogether.

Artificial neural networks thrive in solving the classification problem for a particular rigid task, acquiring knowledge through generalized learning behaviour from a distinct training phase. The resulting network resembles a static entity of knowledge, with endeavours to extend this knowledge without targeting the original task resulting in a catastrophic forgetting. Continual learning shifts this paradigm towards networks that can continually accumulate knowledge over different tasks without the need to retrain from scratch. We focus on task incremental classification, where tasks arrive sequentially and are delineated by clear boundaries. Our main contributions concern 1) a taxonomy and extensive overview of the state-of-the-art, 2) a novel framework to continually determine the stability-plasticity trade-off of the continual learner, 3) a comprehensive experimental comparison of 11 state-of-the-art continual learning methods and 4 baselines. We empirically scrutinize method strengths and weaknesses on three benchmarks, considering Tiny Imagenet and large-scale unbalanced iNaturalist and a sequence of recognition datasets. We study the influence of model capacity, weight decay and dropout regularization, and the order in which the tasks are presented, and qualitatively compare methods in terms of required memory, computation time, and storage.

The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.

When and why can a neural network be successfully trained? This article provides an overview of optimization algorithms and theory for training neural networks. First, we discuss the issue of gradient explosion/vanishing and the more general issue of undesirable spectrum, and then discuss practical solutions including careful initialization and normalization methods. Second, we review generic optimization methods used in training neural networks, such as SGD, adaptive gradient methods and distributed methods, and theoretical results for these algorithms. Third, we review existing research on the global issues of neural network training, including results on bad local minima, mode connectivity, lottery ticket hypothesis and infinite-width analysis.

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.