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The increasing use of machine learning in high-stakes domains -- where people's livelihoods are impacted -- creates an urgent need for interpretable, fair, and highly accurate algorithms. With these needs in mind, we propose a mixed integer optimization (MIO) framework for learning optimal classification trees -- one of the most interpretable models -- that can be augmented with arbitrary fairness constraints. In order to better quantify the "price of interpretability", we also propose a new measure of model interpretability called decision complexity that allows for comparisons across different classes of machine learning models. We benchmark our method against state-of-the-art approaches for fair classification on popular datasets; in doing so, we conduct one of the first comprehensive analyses of the trade-offs between interpretability, fairness, and predictive accuracy. Given a fixed disparity threshold, our method has a price of interpretability of about 4.2 percentage points in terms of out-of-sample accuracy compared to the best performing, complex models. However, our method consistently finds decisions with almost full parity, while other methods rarely do.

Human syntactic structures are usually represented as graphs. Much research has focused on the mapping between such graphs and linguistic sequences, but less attention has been paid to the shapes of the graphs themselves: their topologies. This study investigates how the topologies of syntactic graphs reveal traces of the processes that led to their emergence. I report a new universal regularity in syntactic structures: Their topology is communicatively efficient above chance. The pattern holds, without exception, for all 124 languages studied, across linguistic families and modalities (spoken, written, and signed). This pattern can arise from a process optimizing for communicative efficiency or, alternatively, by construction, as a by-effect of a sublinear preferential attachment process reflecting language production mechanisms known from psycholinguistics. This dual explanation shows how communicative efficiency, per se, does not require optimization. Among the two options, efficiency without optimization offers the better explanation for the new pattern.

In this paper we consider mean-field optimal control problems with selective action of the control, where the constraint is a continuity equation involving a non-local term and diffusion. First order optimality conditions are formally derived in a general framework, accounting for boundary conditions. Hence, the optimality system is used to construct a reduced gradient method, where we introduce a novel algorithm for the numerical realization of the forward and the backward equations, based on exponential integrators. We illustrate extensive numerical experiments on different control problems for collective motion in the context of opinion formation and pedestrian dynamics.

Multi-dimensional direct numerical simulation (DNS) of the Schr\"odinger equation is needed for design and analysis of quantum nanostructures that offer numerous applications in biology, medicine, materials, electronic/photonic devices, etc. In large-scale nanostructures, extensive computational effort needed in DNS may become prohibitive due to the high degrees of freedom (DoF). This study employs a reduced-order learning algorithm, enabled by the first principles, for simulation of the Schr\"odinger equation to achieve high accuracy and efficiency. The proposed simulation methodology is applied to investigate two quantum-dot structures; one operates under external electric field, and the other is influenced by internal potential variation with periodic boundary conditions. The former is similar to typical operations of nanoelectronic devices, and the latter is of interest to simulation and design of nanostructures and materials, such as applications of density functional theory. Using the proposed methodology, a very accurate prediction can be realized with a reduction in the DoF by more than 3 orders of magnitude and in the computational time by 2 orders, compared to DNS. The proposed physics-informed learning methodology is also able to offer an accurate prediction beyond the training conditions, including higher external field and larger internal potential in untrained quantum states.

Few-shot learning allows pre-trained language models to adapt to downstream tasks while using a limited number of training examples. However, practical applications are limited when all model parameters must be optimized. In this work we apply a new technique for parameter efficient few shot learning while adopting a strict definition of parameter efficiency. Our training method combines 1) intermediate training by reformulating natural language tasks as entailment tasks \cite{wang_entailment_2021} and 2) differentiable optimization of template and label tokens \cite{zhang_differentiable_2021}. We quantify the tradeoff between parameter efficiency and performance in the few-shot regime and propose a simple model agnostic approach that can be extended to any task By achieving competitive performance while only optimizing 3\% of a model's parameters and allowing for batched inference, we allow for more efficient practical deployment of models.

We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

The discrete gradient structure and the positive definiteness of discrete fractional integrals or derivatives are fundamental to the numerical stability in long-time simulation of nonlinear integro-differential models. We build up a discrete gradient structure for a class of second-order variable-step approximations of fractional Riemann-Liouville integral and fractional Caputo derivative. Then certain variational energy dissipation laws at discrete levels of the corresponding variable-step Crank-Nicolson type methods are established for time-fractional Allen-Cahn and time-fractional Klein-Gordon type models. They are shown to be asymptotically compatible with the associated energy laws of the classical Allen-Cahn and Klein-Gordon equations in the associated fractional order limits.Numerical examples together with an adaptive time-stepping procedure are provided to demonstrate the effectiveness of our second-order methods.

NPN classification is an essential problem in the design and verification of digital circuits. Most existing works explored variable symmetries and cofactor signatures to develop their classification methods. However, cofactor signatures only consider the face characteristics of Boolean functions. In this paper, we propose a new NPN classifier using both face and point characteristics of Boolean functions, including cofactor, influence, and sensitivity. The new method brings a new perspective to the classification of Boolean functions. The classifier only needs to compute some signatures, and the equality of corresponding signatures is a prerequisite for NPN equivalence. Therefore, these signatures can be directly used for NPN classification, thus avoiding the exhaustive transformation enumeration. The experiments show that the proposed NPN classifier gains better NPN classification accuracy with comparable speed.

We propose and analyse a hybrid high-order (HHO) scheme for stationary incompressible magnetohydrodynamics equations. The scheme has an arbitrary order of accuracy and is applicable on generic polyhedral meshes. For sources that are small enough, we prove error estimates in energy norm for the velocity and magnetic field, and $L^2$-norm for the pressure; these estimates are fully robust with respect to small faces, and of optimal order with respect to the mesh size. Using compactness techniques, we also prove that the scheme converges to a solution of the continuous problem, irrespective of the source being small or large. Finally, we illustrate our theoretical results through 3D numerical tests on tetrahedral and Voronoi mesh families.

In this paper, we focus on identifying differentially activated brain regions using a light sheet fluorescence microscopy - a recently developed technique for whole-brain imaging. Most existing statistical methods solve this problem by partitioning the brain regions into two classes: significantly and non-significantly activated. However, for the brain imaging problem at the center of our study, such binary grouping may provide overly simplistic discoveries by filtering out weak but important signals, that are typically adulterated by the noise present in the data. To overcome this limitation, we introduce a new Bayesian approach that allows classifying the brain regions into several tiers with varying degrees of relevance. Our approach is based on a combination of shrinkage priors - widely used in regression and multiple hypothesis testing problems - and mixture models - commonly used in model-based clustering. In contrast to the existing regularizing prior distributions, which use either the spike-and-slab prior or continuous scale mixtures, our class of priors is based on a discrete mixture of continuous scale mixtures and devises a cluster-shrinkage version of the Horseshoe prior. As a result, our approach provides a more general setting for Bayesian sparse estimation, drastically reduces the number of shrinkage parameters needed, and creates a framework for sharing information across units of interest. We show that this approach leads to more biologically meaningful and interpretable results in our brain imaging problem, since it allows the discrimination between active and inactive regions, while at the same time ranking the discoveries into clusters representing tiers of similar importance.