Scientific publications follow conventionalized rhetorical structures. Classifying the Argumentative Zone (AZ), e.g., identifying whether a sentence states a Motivation, a Result or Background information, has been proposed to improve processing of scholarly documents. In this work, we adapt and extend this idea to the domain of materials science research. We present and release a new dataset of 50 manually annotated research articles. The dataset spans seven sub-topics and is annotated with a materials-science focused multi-label annotation scheme for AZ. We detail corpus statistics and demonstrate high inter-annotator agreement. Our computational experiments show that using domain-specific pre-trained transformer-based text encoders is key to high classification performance. We also find that AZ categories from existing datasets in other domains are transferable to varying degrees.

Power flow analysis plays a crucial role in examining the electricity flow within a power system network. By performing power flow calculations, the system's steady-state variables, including voltage magnitude, phase angle at each bus, active/reactive power flow across branches, can be determined. While the widely used DC power flow model offers speed and robustness, it may yield inaccurate line flow results for certain transmission lines. This issue becomes more critical when dealing with renewable energy sources such as wind farms, which are often located far from the main grid. Obtaining precise line flow results for these critical lines is vital for next operations. To address these challenges, data-driven approaches leverage historical grid profiles. In this paper, a graph neural network (GNN) model is trained using historical power system data to predict power flow outcomes. The GNN model enables rapid estimation of line flows. A comprehensive performance analysis is conducted, comparing the proposed GNN-based power flow model with the traditional DC power flow model, as well as deep neural network (DNN) and convolutional neural network (CNN). The results on test systems demonstrate that the proposed GNN-based power flow model provides more accurate solutions with high efficiency comparing to benchmark models.

Reinforcement learning (RL) has made significant strides in various complex domains. However, identifying an effective policy via RL often necessitates extensive exploration. Imitation learning aims to mitigate this issue by using expert demonstrations to guide exploration. In real-world scenarios, one often has access to multiple suboptimal black-box experts, rather than a single optimal oracle. These experts do not universally outperform each other across all states, presenting a challenge in actively deciding which oracle to use and in which state. We introduce MAPS and MAPS-SE, a class of policy improvement algorithms that perform imitation learning from multiple suboptimal oracles. In particular, MAPS actively selects which of the oracles to imitate and improve their value function estimates, and MAPS-SE additionally leverages an active state exploration criterion to determine which states one should explore. We provide a comprehensive theoretical analysis and demonstrate that MAPS and MAPS-SE enjoy sample efficiency advantage over the state-of-the-art policy improvement algorithms. Empirical results show that MAPS-SE significantly accelerates policy optimization via state-wise imitation learning from multiple oracles across a broad spectrum of control tasks in the DeepMind Control Suite. Our code is publicly available at: https://github.com/ripl/maps.

Despite their remarkable success in approximating a wide range of operators defined by PDEs, existing neural operators (NOs) do not necessarily perform well for all physics problems. We focus here on high-frequency waves to highlight possible shortcomings. To resolve these, we propose a subfamily of NOs enabling an enhanced empirical approximation of the nonlinear operator mapping wave speed to solution, or boundary values for the Helmholtz equation on a bounded domain. The latter operator is commonly referred to as the ''forward'' operator in the study of inverse problems. Our methodology draws inspiration from transformers and techniques such as stochastic depth. Our experiments reveal certain surprises in the generalization and the relevance of introducing stochastic depth. Our NOs show superior performance as compared with standard NOs, not only for testing within the training distribution but also for out-of-distribution scenarios. To delve into this observation, we offer an in-depth analysis of the Rademacher complexity associated with our modified models and prove an upper bound tied to their stochastic depth that existing NOs do not satisfy. Furthermore, we obtain a novel out-of-distribution risk bound tailored to Gaussian measures on Banach spaces, again relating stochastic depth with the bound. We conclude by proposing a hypernetwork version of the subfamily of NOs as a surrogate model for the mentioned forward operator.

Discovering conservation laws for a given dynamical system is important but challenging. In a theorist setup (differential equations and basis functions are both known), we propose the Sparse Invariant Detector (SID), an algorithm that auto-discovers conservation laws from differential equations. Its algorithmic simplicity allows robustness and interpretability of the discovered conserved quantities. We show that SID is able to rediscover known and even discover new conservation laws in a variety of systems. For two examples in fluid mechanics and atmospheric chemistry, SID discovers 14 and 3 conserved quantities, respectively, where only 12 and 2 were previously known to domain experts.

This paper addresses the exploration-exploitation dilemma inherent in decision-making, focusing on multi-armed bandit problems. The problems involve an agent deciding whether to exploit current knowledge for immediate gains or explore new avenues for potential long-term rewards. We here introduce a novel algorithm, approximate information maximization (AIM), which employs an analytical approximation of the entropy gradient to choose which arm to pull at each point in time. AIM matches the performance of Infomax and Thompson sampling while also offering enhanced computational speed, determinism, and tractability. Empirical evaluation of AIM indicates its compliance with the Lai-Robbins asymptotic bound and demonstrates its robustness for a range of priors. Its expression is tunable, which allows for specific optimization in various settings.

We use angular clustering of luminous red galaxies from the Dark Energy Spectroscopic Instrument (DESI) imaging surveys to constrain the local primordial non-Gaussianity parameter fNL. Our sample comprises over 12 million targets, covering 14,000 square degrees of the sky, with redshifts in the range 0.2< z < 1.35. We identify Galactic extinction, survey depth, and astronomical seeing as the primary sources of systematic error, and employ linear regression and artificial neural networks to alleviate non-cosmological excess clustering on large scales. Our methods are tested against log-normal simulations with and without fNL and systematics, showing superior performance of the neural network treatment in reducing remaining systematics. Assuming the universality relation, we find fNL $= 47^{+14(+29)}_{-11(-22)}$ at 68\%(95\%) confidence. With a more aggressive treatment, including regression against the full set of imaging maps, our maximum likelihood value shifts slightly to fNL$ \sim 50$ and the uncertainty on fNL increases due to the removal of large-scale clustering information. We apply a series of robustness tests (e.g., cuts on imaging, declination, or scales used) that show consistency in the obtained constraints. Despite extensive efforts to mitigate systematics, our measurements indicate fNL > 0 with a 99.9 percent confidence level. This outcome raises concerns as it could be attributed to unforeseen systematics, including calibration errors or uncertainties associated with low-\ell systematics in the extinction template. Alternatively, it could suggest a scale-dependent fNL model--causing significant non-Gaussianity around large-scale structure while leaving cosmic microwave background scales unaffected. Our results encourage further studies of fNL with DESI spectroscopic samples, where the inclusion of 3D clustering modes should help separate imaging systematics.

Numerical modeling of localizations is a challenging task due to the evolving rough solution in which the localization paths are not predefined. Despite decades of efforts, there is a need for innovative discretization-independent computational methods to predict the evolution of localizations. In this work, an improved version of the neural network-enhanced Reproducing Kernel Particle Method (NN-RKPM) is proposed for modeling brittle fracture. In the proposed method, a background reproducing kernel (RK) approximation defined on a coarse and uniform discretization is enriched by a neural network (NN) approximation under a Partition of Unity framework. In the NN approximation, the deep neural network automatically locates and inserts regularized discontinuities in the function space. The NN-based enrichment functions are then patched together with RK approximation functions using RK as a Partition of Unity patching function. The optimum NN parameters defining the location, orientation, and displacement distribution across location together with RK approximation coefficients are obtained via the energy-based loss function minimization. To regularize the NN-RK approximation, a constraint on the spatial gradient of the parametric coordinates is imposed in the loss function. Analysis of the convergence properties shows that the solution convergence of the proposed method is guaranteed. The effectiveness of the proposed method is demonstrated by a series of numerical examples involving damage propagation and branching.

Electrolysis is crucial for eco-friendly hydrogen production, but gas bubbles generated during the process hinder reactions, reduce cell efficiency, and increase energy consumption. Additionally, these gas bubbles cause changes in the conductivity inside the cell, resulting in corresponding variations in the induced magnetic field around the cell. Therefore, measuring these gas bubble-induced magnetic field fluctuations using external magnetic sensors and solving the inverse problem of Biot-Savart's Law allows for estimating the conductivity in the cell and, thus, bubble size and location. However, determining high-resolution conductivity maps from only a few induced magnetic field measurements is an ill-posed inverse problem. To overcome this, we exploit Invertible Neural Networks (INNs) to reconstruct the conductivity field. Our qualitative results and quantitative evaluation using random error diffusion show that INN achieves far superior performance compared to Tikhonov regularization.

Low-propulsion vessels can take advantage of powerful ocean currents to navigate towards a destination. Recent results demonstrated that vessels can reach their destination with high probability despite forecast errors. However, these results do not consider the critical aspect of safety of such vessels: because of their low propulsion which is much smaller than the magnitude of currents, they might end up in currents that inevitably push them into unsafe areas such as shallow areas, garbage patches, and shipping lanes. In this work, we first investigate the risk of stranding for free-floating vessels in the Northeast Pacific. We find that at least 5.04% would strand within 90 days. Next, we encode the unsafe sets as hard constraints into Hamilton-Jacobi Multi-Time Reachability (HJ-MTR) to synthesize a feedback policy that is equivalent to re-planning at each time step at low computational cost. While applying this policy closed-loop guarantees safe operation when the currents are known, in realistic situations only imperfect forecasts are available. We demonstrate the safety of our approach in such realistic situations empirically with large-scale simulations of a vessel navigating in high-risk regions in the Northeast Pacific. We find that applying our policy closed-loop with daily re-planning on new forecasts can ensure safety with high probability even under forecast errors that exceed the maximal propulsion. Our method significantly improves safety over the baselines and still achieves a timely arrival of the vessel at the destination.