The method of multivariable Mendelian randomization uses genetic variants to instrument multiple exposures, to estimate the effect that a given exposure has on an outcome conditional on all other exposures included in a linear model. Unfortunately, the inclusion of every additional exposure makes a weak instruments problem more likely, because we require conditionally strong genetic predictors of each exposure. This issue is well appreciated in practice, with different versions of F-statistics routinely reported as measures of instument strength. Less transparently, however, these F-statistics are sometimes used to guide instrument selection, and even to decide whether to report empirical results. Rather than discarding findings with low F-statistics, weak instrument-robust methods can provide valid inference under weak instruments. For multivariable Mendelian randomization with two-sample summary data, we encourage use of the inference strategy of Andrews (2018) that reports both robust and non-robust confidence sets, along with a statistic that measures how reliable the non-robust confidence set is in terms of coverage. We also propose a novel adjusted-Kleibergen statistic that corrects for overdispersion heterogeneity in genetic associations with the outcome.
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The rapid adoption of generative artificial intelligence (AI) in scientific research, particularly large language models (LLMs), has outpaced the development of ethical guidelines, leading to a Triple-Too problem: too many high-level ethical initiatives, too abstract principles lacking contextual and practical relevance, and too much focus on restrictions and risks over benefits and utilities. Existing approaches, including principlism (reliance on abstract ethical principles), formalism (rigid application of rules), and technical solutionism (overemphasis on technological fixes), offer little practical guidance for addressing ethical challenges of AI in scientific research practices. To bridge the gap between abstract principles and day-to-day research practices, a user-centered, realism-inspired approach is proposed here. It outlines five specific goals for ethical AI use: 1) understanding model training and output, including bias mitigation strategies; 2) respecting privacy, confidentiality, and copyright; 3) avoiding plagiarism and policy violations; 4) applying AI beneficially compared to alternatives; and 5) using AI transparently and reproducibly. Each goal is accompanied by actionable strategies and realistic cases of misuse and corrective measures. I argue that ethical AI application requires evaluating its utility against existing alternatives rather than isolated performance metrics. Additionally, I propose documentation guidelines to enhance transparency and reproducibility in AI-assisted research. Moving forward, we need targeted professional development, training programs, and balanced enforcement mechanisms to promote responsible AI use while fostering innovation. By refining these ethical guidelines and adapting them to emerging AI capabilities, we can accelerate scientific progress without compromising research integrity.
In this work, the infinite GMRES algorithm, recently proposed by Correnty et al., is employed in contour integral-based nonlinear eigensolvers, avoiding the computation of costly factorizations at each quadrature node to solve the linear systems efficiently. Several techniques are applied to make the infinite GMRES memory-friendly, computationally efficient, and numerically stable in practice. More specifically, we analyze the relationship between polynomial eigenvalue problems and their scaled linearizations, and provide a novel weighting strategy which can significantly accelerate the convergence of infinite GMRES in this particular context. We also adopt the technique of TOAR to infinite GMRES to reduce the memory footprint. Theoretical analysis and numerical experiments are provided to illustrate the efficiency of the proposed algorithm.
We explore a scaled spectral preconditioner for the efficient solution of sequences of symmetric and positive-definite linear systems. We design the scaled preconditioner not only as an approximation of the inverse of the linear system but also with consideration of its use within the conjugate gradient (CG) method. We propose three different strategies for selecting a scaling parameter, which aims to position the eigenvalues of the preconditioned matrix in a way that reduces the energy norm of the error, the quantity that CG monotonically decreases at each iteration. Our focus is on accelerating convergence especially in the early iterations, which is particularly important when CG is truncated due to computational cost constraints. Numerical experiments provide in data assimilation confirm that the scaled spectral preconditioner can significantly improve early CG convergence with negligible computational cost.
Data-driven Riemannian geometry has emerged as a powerful tool for interpretable representation learning, offering improved efficiency in downstream tasks. Moving forward, it is crucial to balance cheap manifold mappings with efficient training algorithms. In this work, we integrate concepts from pullback Riemannian geometry and generative models to propose a framework for data-driven Riemannian geometry that is scalable in both geometry and learning: score-based pullback Riemannian geometry. Focusing on unimodal distributions as a first step, we propose a score-based Riemannian structure with closed-form geodesics that pass through the data probability density. With this structure, we construct a Riemannian autoencoder (RAE) with error bounds for discovering the correct data manifold dimension. This framework can naturally be used with anisotropic normalizing flows by adopting isometry regularization during training. Through numerical experiments on various datasets, we demonstrate that our framework not only produces high-quality geodesics through the data support, but also reliably estimates the intrinsic dimension of the data manifold and provides a global chart of the manifold, even in high-dimensional ambient spaces.
Semi-implicit spectral deferred correction (SDC) methods provide a systematic approach to construct time integration methods of arbitrarily high order for nonlinear evolution equations including conservation laws. They converge towards $A$- or even $L$-stable collocation methods, but are often not sufficiently robust themselves. In this paper, a family of SDC methods inspired by an implicit formulation of the Lax-Wendroff method is developed. Compared to fully implicit approaches, the methods have the advantage that they only require the solution of positive definite or semi-definite linear systems. Numerical evidence suggests that the proposed semi-implicit SDC methods with Radau points are $L$-stable up to order 11 and require very little diffusion for orders 13 and 15. The excellent stability and accuracy of these methods is confirmed by numerical experiments with 1D conservation problems, including the convection-diffusion, Burgers, Euler and Navier-Stokes equations.
We formalize a complete proof of the regular case of Fermat's Last Theorem in the Lean4 theorem prover. Our formalization includes a proof of Kummer's lemma, that is the main obstruction to Fermat's Last Theorem for regular primes. Rather than following the modern proof of Kummer's lemma via class field theory, we prove it by using Hilbert's Theorems 90-94 in a way that is more amenable to formalization.
This work presents GALAEXI as a novel, energy-efficient flow solver for the simulation of compressible flows on unstructured meshes leveraging the parallel computing power of modern Graphics Processing Units (GPUs). GALAEXI implements the high-order Discontinuous Galerkin Spectral Element Method (DGSEM) using shock capturing with a finite-volume subcell approach to ensure the stability of the high-order scheme near shocks. This work provides details on the general code design, the parallelization strategy, and the implementation approach for the compute kernels with a focus on the element local mappings between volume and surface data due to the unstructured mesh. GALAEXI exhibits excellent strong scaling properties up to 1024 GPUs if each GPU is assigned a minimum of one million degrees of freedom degrees of freedom. To verify its implementation, a convergence study is performed that recovers the theoretical order of convergence of the implemented numerical schemes. Moreover, the solver is validated using both the incompressible and compressible formulation of the Taylor-Green-Vortex at a Mach number of 0.1 and 1.25, respectively. A mesh convergence study shows that the results converge to the high-fidelity reference solution and that the results match the original CPU implementation. Finally, GALAEXI is applied to a large-scale wall-resolved large eddy simulation of a linear cascade of the NASA Rotor 37. Here, the supersonic region and shocks at the leading edge are captured accurately and robustly by the implemented shock-capturing approach. It is demonstrated that GALAEXI requires less than half of the energy to carry out this simulation in comparison to the reference CPU implementation. This renders GALAEXI as a potent tool for accurate and efficient simulations of compressible flows in the realm of exascale computing and the associated new HPC architectures.
In this paper, a high-order/low-order (HOLO) method is combined with a micro-macro (MM) decomposition to accelerate iterative solvers in fully implicit time-stepping of the BGK equation for gas dynamics. The MM formulation represents a kinetic distribution as the sum of a local Maxwellian and a perturbation. In highly collisional regimes, the perturbation away from initial and boundary layers is small and can be compressed to reduce the overall storage cost of the distribution. The convergence behavior of the MM methods, the usual HOLO method, and the standard source iteration method is analyzed on a linear BGK model. Both the HOLO and MM methods are implemented using a discontinuous Galerkin (DG) discretization in phase space, which naturally preserves the consistency between high- and low-order models required by the HOLO approach. The accuracy and performance of these methods are compared on the Sod shock tube problem and a sudden wall heating boundary layer problem. Overall, the results demonstrate the robustness of the MM and HOLO approaches and illustrate the compression benefits enabled by the MM formulation when the kinetic distribution is near equilibrium.
We propose a method utilizing physics-informed neural networks (PINNs) to solve Poisson equations that serve as control variates in the computation of transport coefficients via fluctuation formulas, such as the Green--Kubo and generalized Einstein-like formulas. By leveraging approximate solutions to the Poisson equation constructed through neural networks, our approach significantly reduces the variance of the estimator at hand. We provide an extensive numerical analysis of the estimators and detail a methodology for training neural networks to solve these Poisson equations. The approximate solutions are then incorporated into Monte Carlo simulations as effective control variates, demonstrating the suitability of the method for moderately high-dimensional problems where fully deterministic solutions are computationally infeasible.
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.
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