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Adaptive finite element methods are a powerful tool to obtain numerical simulation results in a reasonable time. Due to complex chemical and mechanical couplings in lithium-ion batteries, numerical simulations are very helpful to investigate promising new battery active materials such as amorphous silicon featuring a higher energy density than graphite. Based on a thermodynamically consistent continuum model with large deformation and chemo-mechanically coupled approach, we compare three different spatial adaptive refinement strategies: Kelly-, gradient recovery- and residual based error estimation. For the residual based case, the strong formulation of the residual is explicitly derived. With amorphous silicon as example material, we investigate two 3D representative host particle geometries, reduced with symmetry assumptions to a 1D unit interval and a 2D elliptical domain. Our numerical studies show that the Kelly estimator overestimates the error, whereas the gradient recovery estimator leads to lower refinement levels and a good capture of the change of the lithium flux. The residual based error estimator reveals a strong dependency on the cell error part which can be improved by a more suitable choice of constants to be more efficient. In a 2D domain, the concentration has a larger influence on the mesh distribution than the Cauchy stress.

We consider nonlinear eigenvalue problems to compute all eigenvalues in a bounded region on the complex plane. Based on domain decomposition and contour integrals, two robust and scalable parallel multi-step methods are proposed. The first method 1) uses the spectral indicator method to find eigenvalues and 2) calls a linear eigensolver to compute the associated eigenvectors. The second method 1) divides the region into subregions and uses the spectral indicator method to decide candidate regions that contain eigenvalues, 2) computes eigenvalues in each candidate subregion using Beyn's method; and 3) verifies each eigenvalue by substituting it back to the system and computes the smallest eigenvalue. Each step of the two methods is carried out in parallel. Both methods are robust, accurate, and does not require prior knowledge of the number and distribution of the eigenvalues in the region. Examples are presented to show the performance of the two methods.

Demystifying interactions between temporal patterns of different scales is fundamental to precise long-range time series forecasting. However, previous works lack the ability to model high-order interactions. To promote more comprehensive pattern interaction modeling for long-range time series forecasting, we propose a Multi-Scale Hypergraph Transformer (MSHyper) framework. Specifically, a multi-scale hypergraph is introduced to provide foundations for modeling high-order pattern interactions. Then by treating hyperedges as nodes, we also build a hyperedge graph to enhance hypergraph modeling. In addition, a tri-stage message passing mechanism is introduced to aggregate pattern information and learn the interaction strength between temporal patterns of different scales. Extensive experiments on five real-world datasets demonstrate that MSHyper achieves state-of-the-art performance, reducing prediction errors by an average of 8.73% and 7.15% over the best baseline in MSE and MAE, respectively.

We introduce a novel capacity measure 2sED for statistical models based on the effective dimension. The new quantity provably bounds the generalization error under mild assumptions on the model. Furthermore, simulations on standard data sets and popular model architectures show that 2sED correlates well with the training error. For Markovian models, we show how to efficiently approximate 2sED from below through a layerwise iterative approach, which allows us to tackle deep learning models with a large number of parameters. Simulation results suggest that the approximation is good for different prominent models and data sets.

One of the most promising applications of quantum computers is to simulate quantum mechanical systems and deliver an advantage to classical computation by leveraging their inherent quantum behaviour. In this work, we present a new approach to achieve a noise tolerant Hamiltonian simulation algorithm for ground state energy estimation which also surmounts stochastic limitations most of its counterparts face. This algorithm is based on an adaptive set of fuzzy bisection searches to estimate the ground state energy digit by digit that can get to any arbitrary target precision. It builds upon the Quantum Eigenvalue Transformation of Unitary Matrices (QETU) algorithm and it delivers good approximations in simulations with quantum depolarizing probability up to 1e-3, particularly for the Transverse-Field Ising Model (TFIM). We ran simulations with different system Hamiltonians, system sizes and time evolution encoding methods on IBM Qiskit and we demonstrate the key results in this work, as well as compare the performance with other existing methods.

Traditionally, classical numerical schemes have been employed to solve partial differential equations (PDEs) using computational methods. Recently, neural network-based methods have emerged. Despite these advancements, neural network-based methods, such as physics-informed neural networks (PINNs) and neural operators, exhibit deficiencies in robustness and generalization. To address these issues, numerous studies have integrated classical numerical frameworks with machine learning techniques, incorporating neural networks into parts of traditional numerical methods. In this study, we focus on hyperbolic conservation laws by replacing traditional numerical fluxes with neural operators. To this end, we developed loss functions inspired by established numerical schemes related to conservation laws and approximated numerical fluxes using Fourier neural operators (FNOs). Our experiments demonstrated that our approach combines the strengths of both traditional numerical schemes and FNOs, outperforming standard FNO methods in several respects. For instance, we demonstrate that our method is robust, has resolution invariance, and is feasible as a data-driven method. In particular, our method can make continuous predictions over time and exhibits superior generalization capabilities with out-of-distribution (OOD) samples, which are challenges that existing neural operator methods encounter.

Recent constructions of quantum low-density parity-check (QLDPC) codes provide optimal scaling of the number of logical qubits and the minimum distance in terms of the code length, thereby opening the door to fault-tolerant quantum systems with minimal resource overhead. However, the hardware path from nearest-neighbor-connection-based topological codes to long-range-interaction-demanding QLDPC codes is a challenging one. Given the practical difficulty in building a monolithic architecture for quantum computers based on optimal QLDPC codes, it is worth considering a distributed implementation of such codes over a network of interconnected quantum processors. In such a setting, all syndrome measurements and logical operations must be performed using high-fidelity shared entangled states between the processing nodes. Since probabilistic many-to-1 distillation schemes for purifying entanglement are inefficient, we investigate quantum error correction based entanglement purification in this work. Specifically, we employ QLDPC codes to distill GHZ states, as the resulting high-fidelity logical GHZ states can interact directly with the code used to perform distributed quantum computing (DQC), e.g. for fault-tolerant Steane syndrome extraction. This protocol is applicable beyond DQC since entanglement purification is a quintessential task of any quantum network. We use the min-sum algorithm (MSA) based iterative decoder for distilling $3$-qubit GHZ states using a rate $0.118$ family of lifted product QLDPC codes and obtain an input threshold of $\approx 0.7974$ under i.i.d. single-qubit depolarizing noise. This represents the best threshold for a yield of $0.118$ for any GHZ purification protocol. Our results apply to larger size GHZ states as well, where we extend our technical result about a measurement property of $3$-qubit GHZ states to construct a scalable GHZ purification protocol.

Many promising quantum applications depend on the efficient quantum simulation of an exponentially large sparse Hamiltonian, a task known as sparse Hamiltonian simulation, which is fundamentally important in quantum computation. Although several theoretically appealing quantum algorithms have been proposed for this task, they typically require a black-box query model of the sparse Hamiltonian, rendering them impractical for near-term implementation on quantum devices. In this paper, we propose a technique named Hamiltonian embedding. This technique simulates a desired sparse Hamiltonian by embedding it into the evolution of a larger and more structured quantum system, allowing for more efficient simulation through hardware-efficient operations. We conduct a systematic study of this new technique and demonstrate significant savings in computational resources for implementing prominent quantum applications. As a result, we can now experimentally realize quantum walks on complicated graphs (e.g., binary trees, glued-tree graphs), quantum spatial search, and the simulation of real-space Schr\"odinger equations on current trapped-ion and neutral-atom platforms. Given the fundamental role of Hamiltonian evolution in the design of quantum algorithms, our technique markedly expands the horizon of implementable quantum advantages in the NISQ era.

Federated Learning (FL) is a decentralized machine-learning paradigm, in which a global server iteratively averages the model parameters of local users without accessing their data. User heterogeneity has imposed significant challenges to FL, which can incur drifted global models that are slow to converge. Knowledge Distillation has recently emerged to tackle this issue, by refining the server model using aggregated knowledge from heterogeneous users, other than directly averaging their model parameters. This approach, however, depends on a proxy dataset, making it impractical unless such a prerequisite is satisfied. Moreover, the ensemble knowledge is not fully utilized to guide local model learning, which may in turn affect the quality of the aggregated model. Inspired by the prior art, we propose a data-free knowledge distillation} approach to address heterogeneous FL, where the server learns a lightweight generator to ensemble user information in a data-free manner, which is then broadcasted to users, regulating local training using the learned knowledge as an inductive bias. Empirical studies powered by theoretical implications show that, our approach facilitates FL with better generalization performance using fewer communication rounds, compared with the state-of-the-art.

Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.