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This paper aims to devise an adaptive neural network basis method for numerically solving a second-order semilinear partial differential equation (PDE) with low-regular solutions in two/three dimensions. The method is obtained by combining basis functions from a class of shallow neural networks and the resulting multi-scale analogues, a residual strategy in adaptive methods and the non-overlapping domain decomposition method. At the beginning, in view of the solution residual, we partition the total domain $\Omega$ into $K+1$ non-overlapping subdomains, denoted respectively as $\{\Omega_k\}_{k=0}^K$, where the exact solution is smooth on subdomain $\Omega_{0}$ and low-regular on subdomain $\Omega_{k}$ ($1\le k\le K$). Secondly, the low-regular solutions on different subdomains \(\Omega_{k}\)~($1\le k\le K$) are approximated by neural networks with different scales, while the smooth solution on subdomain \(\Omega_0\) is approximated by the initialized neural network. Thirdly, we determine the undetermined coefficients by solving the linear least squares problems directly or the nonlinear least squares problem via the Gauss-Newton method. The proposed method can be extended to multi-level case naturally. Finally, we use this adaptive method for several peak problems in two/three dimensions to show its high-efficient computational performance.

Conformal prediction, as an emerging uncertainty quantification technique, typically functions as post-hoc processing for the outputs of trained classifiers. To optimize the classifier for maximum predictive efficiency, Conformal Training rectifies the training objective with a regularization that minimizes the average prediction set size at a specific error rate. However, the regularization term inevitably deteriorates the classification accuracy and leads to suboptimal efficiency of conformal predictors. To address this issue, we introduce \textbf{Conformal Adapter} (C-Adapter), an adapter-based tuning method to enhance the efficiency of conformal predictors without sacrificing accuracy. In particular, we implement the adapter as a class of intra order-preserving functions and tune it with our proposed loss that maximizes the discriminability of non-conformity scores between correctly and randomly matched data-label pairs. Using C-Adapter, the model tends to produce extremely high non-conformity scores for incorrect labels, thereby enhancing the efficiency of prediction sets across different coverage rates. Extensive experiments demonstrate that C-Adapter can effectively adapt various classifiers for efficient prediction sets, as well as enhance the conformal training method.

The rapid development of Large Language Models (LLMs) in vertical domains, including intellectual property (IP), lacks a specific evaluation benchmark for assessing their understanding, application, and reasoning abilities. To fill this gap, we introduce IPEval, the first evaluation benchmark tailored for IP agency and consulting tasks. IPEval comprises 2657 multiple-choice questions across four major dimensions: creation, application, protection, and management of IP. These questions span patent rights (inventions, utility models, designs), trademarks, copyrights, trade secrets, and other related laws. Evaluation methods include zero-shot, 5-few-shot, and Chain of Thought (CoT) for seven LLM types, predominantly in English or Chinese. Results show superior English performance by models like GPT series and Qwen series, while Chinese-centric LLMs excel in Chinese tests, albeit specialized IP LLMs lag behind general-purpose ones. Regional and temporal aspects of IP underscore the need for LLMs to grasp legal nuances and evolving laws. IPEval aims to accurately gauge LLM capabilities in IP and spur development of specialized models. Website: \url{https://ipeval.github.io/}

Graph Neural Networks have achieved remarkable accuracy in semi-supervised node classification tasks. However, these results lack reliable uncertainty estimates. Conformal prediction methods provide a theoretical guarantee for node classification tasks, ensuring that the conformal prediction set contains the ground-truth label with a desired probability (e.g., 95%). In this paper, we empirically show that for each node, aggregating the non-conformity scores of nodes with the same label can improve the efficiency of conformal prediction sets. This observation motivates us to propose a novel algorithm named Similarity-Navigated Adaptive Prediction Sets (SNAPS), which aggregates the non-conformity scores based on feature similarity and structural neighborhood. The key idea behind SNAPS is that nodes with high feature similarity or direct connections tend to have the same label. By incorporating adaptive similar nodes information, SNAPS can generate compact prediction sets and increase the singleton hit ratio (correct prediction sets of size one). Moreover, we theoretically provide a finite-sample coverage guarantee of SNAPS. Extensive experiments demonstrate the superiority of SNAPS, improving the efficiency of prediction sets and singleton hit ratio while maintaining valid coverage.

TorchCP is a Python toolbox for conformal prediction research on deep learning models. It contains various implementations for posthoc and training methods for classification and regression tasks (including multi-dimension output). TorchCP is built on PyTorch (Paszke et al., 2019) and leverages the advantages of matrix computation to provide concise and efficient inference implementations. The code is licensed under the LGPL license and is open-sourced at $\href{https://github.com/ml-stat-Sustech/TorchCP}{\text{this https URL}}$.

Conformal prediction, as an emerging uncertainty qualification technique, constructs prediction sets that are guaranteed to contain the true label with pre-defined probability. Previous works often employ temperature scaling to calibrate the classifier, assuming that confidence calibration can benefit conformal prediction. In this work, we empirically show that current confidence calibration methods (e.g., temperature scaling) normally lead to larger prediction sets in adaptive conformal prediction. Theoretically, we prove that a prediction with higher confidence could result in a smaller prediction set on expectation. Inspired by the analysis, we propose $Conformal$ $Temperature$ $Scaling$ (ConfTS), a variant of temperature scaling that aims to improve the efficiency of adaptive conformal prediction. Specifically, ConfTS optimizes the temperature value by minimizing the gap between the threshold and the non-conformity score of the ground truth for a held-out validation dataset. In this way, the temperature value obtained would lead to an optimal set of high efficiency without violating the marginal coverage property. Extensive experiments demonstrate that our method can effectively enhance adaptive conformal prediction methods in both efficiency and conditional coverage, reducing the average size of APS and RAPS by nearly 50$\%$ on ImageNet at error rate $\alpha=0.1$.

Neural operators (NO) are discretization invariant deep learning methods with functional output and can approximate any continuous operator. NO have demonstrated the superiority of solving partial differential equations (PDEs) over other deep learning methods. However, the spatial domain of its input function needs to be identical to its output, which limits its applicability. For instance, the widely used Fourier neural operator (FNO) fails to approximate the operator that maps the boundary condition to the PDE solution. To address this issue, we propose a novel framework called resolution-invariant deep operator (RDO) that decouples the spatial domain of the input and output. RDO is motivated by the Deep operator network (DeepONet) and it does not require retraining the network when the input/output is changed compared with DeepONet. RDO takes functional input and its output is also functional so that it keeps the resolution invariant property of NO. It can also resolve PDEs with complex geometries whereas NO fail. Various numerical experiments demonstrate the advantage of our method over DeepONet and FNO.

This paper focuses on discussing Newton's method and its hybrid with machine learning for the steady state Navier-Stokes Darcy model discretized by mixed element methods. First, a Newton iterative method is introduced for solving the relative discretized problem. It is proved technically that this method converges quadratically with the convergence rate independent of the finite element mesh size, under certain standard conditions. Later on, a deep learning algorithm is proposed for solving this nonlinear coupled problem. Following the ideas of an earlier work by Huang, Wang and Yang (2020), an Int-Deep algorithm is constructed by combining the previous two methods so as to further improve the computational efficiency and robustness. A series of numerical examples are reported to show the numerical performance of the proposed methods.

Conformal prediction is a statistical framework that generates prediction sets containing ground-truth labels with a desired coverage guarantee. The predicted probabilities produced by machine learning models are generally miscalibrated, leading to large prediction sets in conformal prediction. To address this issue, we propose a novel algorithm named $\textit{Sorted Adaptive Prediction Sets}$ (SAPS), which discards all the probability values except for the maximum softmax probability. The key idea behind SAPS is to minimize the dependence of the non-conformity score on the probability values while retaining the uncertainty information. In this manner, SAPS can produce compact prediction sets and communicate instance-wise uncertainty. Extensive experiments validate that SAPS not only lessens the prediction sets but also broadly enhances the conditional coverage rate of prediction sets., Comment: Accepted by ICML 2024

In Koopman operator theory, a finite-dimensional nonlinear system is transformed into an infinite but linear system using a set of observable functions. However, manually selecting observable functions that span the invariant subspace of the Koopman operator based on prior knowledge is inefficient and challenging, particularly when little or no information is available about the underlying systems. Furthermore, current methodologies tend to disregard the importance of the invertibility of observable functions, which leads to inaccurate results. To address these challenges, we propose the so-called FlowDMD, aka Flow-based Dynamic Mode Decomposition, that utilizes the Coupling Flow Invertible Neural Network (CF-INN) framework. FlowDMD leverages the intrinsically invertible characteristics of the CF-INN to learn the invariant subspaces of the Koopman operator and accurately reconstruct state variables. Numerical experiments demonstrate the superior performance of our algorithm compared to state-of-the-art methodologies.

A robust nonconforming mixed finite element method is developed for a strain gradient elasticity (SGE) model. In two and three dimensional cases, a lower order $C^0$-continuous $H^2$-nonconforming finite element is constructed for the displacement field through enriching the quadratic Lagrange element with bubble functions. This together with the linear Lagrange element is exploited to discretize a mixed formulation of the SGE model. The robust discrete inf-sup condition is established. The sharp and uniform error estimates with respect to both the small size parameter and the Lam\'{e} coefficient are achieved, which is also verified by numerical results. In addition, the uniform regularity of the SGE model is derived under two reasonable assumptions., Comment: 25 pages

In this paper, we propose an efficient exponential integrator finite element method for solving a class of semilinear parabolic equations in rectangular domains. The proposed method first performs the spatial discretization of the model equation using the finite element approximation with continuous multilinear rectangular basis functions, and then takes the explicit exponential Runge-Kutta approach for time integration of the resulting semi-discrete system to produce fully-discrete numerical solution. Under certain regularity assumptions, error estimates measured in $H^1$-norm are successfully derived for the proposed schemes with one and two RK stages. More remarkably, the mass and coefficient matrices of the proposed method can be simultaneously diagonalized with an orthogonal matrix, which provides a fast solution process based on tensor product spectral decomposition and fast Fourier transform. Various numerical experiments in two and three dimensions are also carried out to validate the theoretical results and demonstrate the excellent performance of the proposed method.

This paper devises a novel lowest-order conforming virtual element method (VEM) for planar linear elasticity with the pure displacement/traction boundary condition. The main trick is to view a generic polygon $K$ as a new one $\widetilde{K}$ with additional vertices consisting of interior points on edges of $K$, so that the discrete admissible space is taken as the $V_1$ type virtual element space related to the partition $\{\widetilde{K}\}$ instead of $\{K\}$. The method is shown to be uniformly convergent with the optimal rates both in $H^1$ and $L^2$ norms with respect to the Lam\'{e} constant $\lambda$. Numerical tests are presented to illustrate the good performance of the proposed VEM and confirm the theoretical results., Comment: locking-free vem

This paper is concerned with a novel deep learning method for variational problems with essential boundary conditions. To this end, we first reformulate the original problem into a minimax problem corresponding to a feasible augmented Lagrangian, which can be solved by the augmented Lagrangian method in an infinite dimensional setting. Based on this, by expressing the primal and dual variables with two individual deep neural network functions, we present an augmented Lagrangian deep learning method for which the parameters are trained by the stochastic optimization method together with a projection technique. Compared to the traditional penalty method, the new method admits two main advantages: i) the choice of the penalty parameter is flexible and robust, and ii) the numerical solution is more accurate in the same magnitude of computational cost. As typical applications, we apply the new approach to solve elliptic problems and (nonlinear) eigenvalue problems with essential boundary conditions, and numerical experiments are presented to show the effectiveness of the new method.

This paper introduces a deep learning method for solving an elliptic hemivariational inequality (HVI). In this method, an expectation minimization problem is first formulated based on the variational principle of underlying HVI, which is solved by stochastic optimization algorithms using three different training strategies for updating network parameters. The method is applied to solve two practical problems in contact mechanics, one of which is a frictional bilateral contact problem and the other of which is a frictionless normal compliance contact problem. Numerical results show that the deep learning method is efficient in solving HVIs and the adaptive mesh-free multigrid algorithm can provide the most accurate solution among the three learning methods., Comment: 18 pages, 3 figures, 2 tables

The radiative transfer equation is a fundamental equation in transport theory and applications, which is a 5-dimensional PDE in the stationary one-velocity case, leading to great difficulties in numerical simulation. To tackle this bottleneck, we first use the discrete ordinate technique to discretize the scattering term, an integral with respect to the angular variables, resulting in a semi-discrete hyperbolic system. Then, we make the spatial discretization by means of the discontinuous Galerkin (DG) method combined with the sparse grid method. The final linear system is solved by the block Gauss-Seidal iteration method. The computational complexity and error analysis are developed in detail, which show the new method is more efficient than the original discrete ordinate DG method. A series of numerical results are performed to validate the convergence behavior and effectiveness of the proposed method., Comment: sparse grid Sn

This paper proposes Friedrichs learning as a novel deep learning methodology that can learn the weak solutions of PDEs via a minmax formulation, which transforms the PDE problem into a minimax optimization problem to identify weak solutions. The name "Friedrichs learning" is for highlighting the close relationship between our learning strategy and Friedrichs theory on symmetric systems of PDEs. The weak solution and the test function in the weak formulation are parameterized as deep neural networks in a mesh-free manner, which are alternately updated to approach the optimal solution networks approximating the weak solution and the optimal test function, respectively. Extensive numerical results indicate that our mesh-free method can provide reasonably good solutions to a wide range of PDEs defined on regular and irregular domains in various dimensions, where classical numerical methods such as finite difference methods and finite element methods may be tedious or difficult to be applied.

This paper focuses on proposing a deep learning initialized iterative method (Int-Deep) for low-dimensional nonlinear partial differential equations (PDEs). The corresponding framework consists of two phases. In the first phase, an expectation minimization problem formulated from a given nonlinear PDE is approximately resolved with mesh-free deep neural networks to parametrize the solution space. In the second phase, a solution ansatz of the finite element method to solve the given PDE is obtained from the approximate solution in the first phase, and the ansatz can serve as a good initial guess such that Newton's method for solving the nonlinear PDE is able to converge to the ground truth solution with high-accuracy quickly. Systematic theoretical analysis is provided to justify the Int-Deep framework for several classes of problems. Numerical results show that the Int-Deep outperforms existing purely deep learning-based methods or traditional iterative methods (e.g., Newton's method and the Picard iteration method).