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A sharp, distribution free, non-asymptotic result is proved for the concentration of a random function around the mean function, when the randomization is generated by a finite sequence of independent data and the random functions satisfy uniform bounded variation assumptions. The specific motivation for the work comes from the need for inference on the distributional impacts of social policy intervention. However, the family of randomized functions that we study is broad enough to cover wide-ranging applications. For example, we provide a Kolmogorov-Smirnov like test for randomized functions that are almost surely Lipschitz continuous, and novel tools for inference with heterogeneous treatment effects. A Dvoretzky-Kiefer-Wolfowitz like inequality is also provided for the sum of almost surely monotone random functions, extending the famous non-asymptotic work of Massart for empirical cumulative distribution functions generated by i.i.d. data, to settings without micro-clusters proposed by Canay, Santos, and Shaikh. We illustrate the relevance of our theoretical results for applied work via empirical applications. Notably, the proof of our main concentration result relies on a novel stochastic rendition of the fundamental result of Debreu, generally dubbed the "gap lemma," that transforms discontinuous utility representations of preorders into continuous utility representations, and on an envelope theorem of an infinite dimensional optimisation problem that we carefully construct.

In 2023, Kuznetsov and Speranski introduced infinitary action logic with multiplexing $!^m\nabla \mathrm{ACT}_\omega$ and proved that the derivability problem for it lies between the $\omega$ and $\omega^\omega$ levels of the hyperarithmetical hierarchy. We prove that this problem is $\Delta^0_{\omega^\omega}$-complete under Turing reductions. Namely, we show that it is recursively isomorphic to the satisfaction predicate for computable infinitary formulas of rank less than $\omega^\omega$ in the language of arithmetic. As a consequence we prove that the closure ordinal for $!^m\nabla \mathrm{ACT}_\omega$ equals $\omega^\omega$. We also prove that the fragment of $!^m\nabla \mathrm{ACT}_\omega$ where Kleene star is not allowed to be in the scope of the subexponential is $\Delta^0_{\omega^\omega}$-complete. Finally, we present a family of logics, which are fragments of $!^m\nabla \mathrm{ACT}_\omega$, such that the complexity of the $k$-th logic lies between $\Delta^0_{\omega^k}$ and $\Delta^0_{\omega^{k+1}}$.

We introduce a \emph{gain function} viewpoint of information leakage by proposing \emph{maximal $g$-leakage}, a rich class of operationally meaningful leakage measures that subsumes recently introduced leakage measures -- {maximal leakage} and {maximal $\alpha$-leakage}. In maximal $g$-leakage, the gain of an adversary in guessing an unknown random variable is measured using a {gain function} applied to the probability of correctly guessing. In particular, maximal $g$-leakage captures the multiplicative increase, upon observing $Y$, in the expected gain of an adversary in guessing a randomized function of $X$, maximized over all such randomized functions. We also consider the scenario where an adversary can make multiple attempts to guess the randomized function of interest. We show that maximal leakage is an upper bound on maximal $g$-leakage under multiple guesses, for any non-negative gain function $g$. We obtain a closed-form expression for maximal $g$-leakage under multiple guesses for a class of concave gain functions. We also study maximal $g$-leakage measure for a specific class of gain functions related to the $\alpha$-loss. In particular, we first completely characterize the minimal expected $\alpha$-loss under multiple guesses and analyze how the corresponding leakage measure is affected with the number of guesses. Finally, we study two variants of maximal $g$-leakage depending on the type of adversary and obtain closed-form expressions for them, which do not depend on the particular gain function considered as long as it satisfies some mild regularity conditions. We do this by developing a variational characterization for the R\'{e}nyi divergence of order infinity which naturally generalizes the definition of pointwise maximal leakage to incorporate arbitrary gain functions.

The phenomenon of model-wise double descent, where the test error peaks and then reduces as the model size increases, is an interesting topic that has attracted the attention of researchers due to the striking observed gap between theory and practice \citep{Belkin2018ReconcilingMM}. Additionally, while double descent has been observed in various tasks and architectures, the peak of double descent can sometimes be noticeably absent or diminished, even without explicit regularization, such as weight decay and early stopping. In this paper, we investigate this intriguing phenomenon from the optimization perspective and propose a simple optimization-based explanation for why double descent sometimes occurs weakly or not at all. To the best of our knowledge, we are the first to demonstrate that many disparate factors contributing to model-wise double descent (initialization, normalization, batch size, learning rate, optimization algorithm) are unified from the viewpoint of optimization: model-wise double descent is observed if and only if the optimizer can find a sufficiently low-loss minimum. These factors directly affect the condition number of the optimization problem or the optimizer and thus affect the final minimum found by the optimizer, reducing or increasing the height of the double descent peak. We conduct a series of controlled experiments on random feature models and two-layer neural networks under various optimization settings, demonstrating this optimization-based unified view. Our results suggest the following implication: Double descent is unlikely to be a problem for real-world machine learning setups. Additionally, our results help explain the gap between weak double descent peaks in practice and strong peaks observable in carefully designed setups.

Vitrimer is a new class of sustainable polymers with the ability of self-healing through rearrangement of dynamic covalent adaptive networks. However, a limited choice of constituent molecules restricts their property space, prohibiting full realization of their potential applications. Through a combination of molecular dynamics (MD) simulations and machine learning (ML), particularly a novel graph variational autoencoder (VAE) model, we establish a method for generating novel vitrimers and guide their inverse design based on desired glass transition temperature (Tg). We build the first vitrimer dataset of one million and calculate Tg on 8,424 of them by high-throughput MD simulations calibrated by a Gaussian process model. The proposed VAE employs dual graph encoders and a latent dimension overlapping scheme which allows for individual representation of multi-component vitrimers. By constructing a continuous latent space containing necessary information of vitrimers, we demonstrate high accuracy and efficiency of our framework in discovering novel vitrimers with desirable Tg beyond the training regime. The proposed vitrimers with reasonable synthesizability cover a wide range of Tg and broaden the potential widespread usage of vitrimeric materials.

We investigate algorithms for testing whether an image is connected. Given a proximity parameter $\epsilon\in(0,1)$ and query access to a black-and-white image represented by an $n\times n$ matrix of Boolean pixel values, a (1-sided error) connectedness tester accepts if the image is connected and rejects with probability at least 2/3 if the image is $\epsilon$-far from connected. We show that connectedness can be tested nonadaptively with $O(\frac 1{\epsilon^2})$ queries and adaptively with $O(\frac{1}{\epsilon^{3/2}} \sqrt{\log\frac{1}{\epsilon}})$ queries. The best connectedness tester to date, by Berman, Raskhodnikova, and Yaroslavtsev (STOC 2014) had query complexity $O(\frac 1{\epsilon^2}\log \frac 1{\epsilon})$ and was adaptive. We also prove that every nonadaptive, 1-sided error tester for connectedness must make $\Omega(\frac 1\epsilon\log \frac 1\epsilon)$ queries.

A common method to study deep learning systems is to use simplified model representations -- for example, using singular value decomposition to visualize the model's hidden states in a lower dimensional space. This approach assumes that the results of these simplified are faithful to the original model. Here, we illustrate an important caveat to this assumption: even if the simplified representations can accurately approximate the full model on the training set, they may fail to accurately capture the model's behavior out of distribution -- the understanding developed from simplified representations may be an illusion. We illustrate this by training Transformer models on controlled datasets with systematic generalization splits. First, we train models on the Dyck balanced-parenthesis languages. We simplify these models using tools like dimensionality reduction and clustering, and then explicitly test how these simplified proxies match the behavior of the original model on various out-of-distribution test sets. We find that the simplified proxies are generally less faithful out of distribution. In cases where the original model generalizes to novel structures or deeper depths, the simplified versions may fail, or generalize better. This finding holds even if the simplified representations do not directly depend on the training distribution. Next, we study a more naturalistic task: predicting the next character in a dataset of computer code. We find similar generalization gaps between the original model and simplified proxies, and conduct further analysis to investigate which aspects of the code completion task are associated with the largest gaps. Together, our results raise questions about the extent to which mechanistic interpretations derived using tools like SVD can reliably predict what a model will do in novel situations.

We study functional dependencies together with two different probabilistic dependency notions: unary marginal identity and unary marginal distribution equivalence. A unary marginal identity states that two variables x and y are identically distributed. A unary marginal distribution equivalence states that the multiset consisting of the marginal probabilities of all the values for variable x is the same as the corresponding multiset for y. We present a sound and complete axiomatization for the class of these dependencies and show that it has Armstrong relations. The axiomatization is infinite, but we show that there can be no finite axiomatization. The implication problem for the subclass that contains only functional dependencies and unary marginal identities can be simulated with functional dependencies and unary inclusion atoms, and therefore the problem is in polynomial-time. This complexity bound also holds in the case of the full class, which we show by constructing a polynomial-time algorithm.

We study range spaces, where the ground set consists of either polygonal curves in $\mathbb{R}^d$ or polygonal regions in the plane that may contain holes and the ranges are balls defined by an elastic distance measure, such as the Hausdorff distance, the Fr\'echet distance and the dynamic time warping distance. The range spaces appear in various applications like classification, range counting, density estimation and clustering when the instances are trajectories, time series or polygons. The Vapnik-Chervonenkis dimension (VC-dimension) plays an important role when designing algorithms for these range spaces. We show for the Fr\'echet distance of polygonal curves and the Hausdorff distance of polygonal curves and planar polygonal regions that the VC-dimension is upper-bounded by $O(dk\log(km))$ where $k$ is the complexity of the center of a ball, $m$ is the complexity of the polygonal curve or region in the ground set, and $d$ is the ambient dimension. For $d \geq 4$ this bound is tight in each of the parameters $d, k$ and $m$ separately. For the dynamic time warping distance of polygonal curves, our analysis directly yields an upper-bound of $O(\min(dk^2\log(m),dkm\log(k)))$.

Dynamic programming (DP) solves a variety of structured combinatorial problems by iteratively breaking them down into smaller subproblems. In spite of their versatility, DP algorithms are usually non-differentiable, which hampers their use as a layer in neural networks trained by backpropagation. To address this issue, we propose to smooth the max operator in the dynamic programming recursion, using a strongly convex regularizer. This allows to relax both the optimal value and solution of the original combinatorial problem, and turns a broad class of DP algorithms into differentiable operators. Theoretically, we provide a new probabilistic perspective on backpropagating through these DP operators, and relate them to inference in graphical models. We derive two particular instantiations of our framework, a smoothed Viterbi algorithm for sequence prediction and a smoothed DTW algorithm for time-series alignment. We showcase these instantiations on two structured prediction tasks and on structured and sparse attention for neural machine translation.