We consider the approximation of a class of dynamic partial differential equations (PDE) of second order in time by the physics-informed neural network (PINN) approach, and provide an error analysis of PINN for the wave equation, the Sine-Gordon equation and the linear elastodynamic equation. Our analyses show that, with feed-forward neural networks having two hidden layers and the $\tanh$ activation function, the PINN approximation errors for the solution field, its time derivative and its gradient field can be effectively bounded by the training loss and the number of training data points (quadrature points). Our analyses further suggest new forms for the training loss function, which contain certain residuals that are crucial to the error estimate but would be absent from the canonical PINN loss formulation. Adopting these new forms for the loss function leads to a variant PINN algorithm. We present ample numerical experiments with the new PINN algorithm for the wave equation, the Sine-Gordon equation and the linear elastodynamic equation, which show that the method can capture the solution well.
Originally introduced as a neural network for ensemble learning, mixture of experts (MoE) has recently become a fundamental building block of highly successful modern deep neural networks for heterogeneous data analysis in several applications, including those in machine learning, statistics, bioinformatics, economics, and medicine. Despite its popularity in practice, a satisfactory level of understanding of the convergence behavior of Gaussian-gated MoE parameter estimation is far from complete. The underlying reason for this challenge is the inclusion of covariates in the Gaussian gating and expert networks, which leads to their intrinsically complex interactions via partial differential equations with respect to their parameters. We address these issues by designing novel Voronoi loss functions to accurately capture heterogeneity in the maximum likelihood estimator (MLE) for resolving parameter estimation in these models. Our results reveal distinct behaviors of the MLE under two settings: the first setting is when all the location parameters in the Gaussian gating are non-zeros while the second setting is when there exists at least one zero-valued location parameter. Notably, these behaviors can be characterized by the solvability of two different systems of polynomial equations. Finally, we conduct a simulation study to verify our theoretical results.
Even when the causal graph underlying our data is unknown, we can use observational data to narrow down the possible values that an average treatment effect (ATE) can take by (1) identifying the graph up to a Markov equivalence class; and (2) estimating that ATE for each graph in the class. While the PC algorithm can identify this class under strong faithfulness assumptions, it can be computationally prohibitive. Fortunately, only the local graph structure around the treatment is required to identify the set of possible ATE values, a fact exploited by local discovery algorithms to improve computational efficiency. In this paper, we introduce Local Discovery using Eager Collider Checks (LDECC), a new local causal discovery algorithm that leverages unshielded colliders to orient the treatment's parents differently from existing methods. We show that there exist graphs where LDECC exponentially outperforms existing local discovery algorithms and vice versa. Moreover, we show that LDECC and existing algorithms rely on different faithfulness assumptions, leveraging this insight to weaken the assumptions for identifying the set of possible ATE values.
The Schr\"{o}dinger equation with random potentials is a fundamental model for understanding the behaviour of particles in disordered systems. Disordered media are characterised by complex potentials that lead to the localisation of wavefunctions, also called Anderson localisation. These wavefunctions may have similar scales of eigenenergies which poses difficulty in their discovery. It has been a longstanding challenge due to the high computational cost and complexity of solving the Schr\"{o}dinger equation. Recently, machine-learning tools have been adopted to tackle these challenges. In this paper, based upon recent advances in machine learning, we present a novel approach for discovering localised eigenstates in disordered media using physics-informed neural networks (PINNs). We focus on the spectral approximation of Hamiltonians in one dimension with potentials that are randomly generated according to the Bernoulli, normal, and uniform distributions. We introduce a novel feature to the loss function that exploits known physical phenomena occurring in these regions to scan across the domain and successfully discover these eigenstates, regardless of the similarity of their eigenenergies. We present various examples to demonstrate the performance of the proposed approach and compare it with isogeometric analysis.
We consider the upper confidence bound strategy for Gaussian multi-armed bandits with known control horizon sizes $N$ and build its limiting description with a system of stochastic differential equations and ordinary differential equations. Rewards for the arms are assumed to have unknown expected values and known variances. A set of Monte-Carlo simulations was performed for the case of close distributions of rewards, when mean rewards differ by the magnitude of order $N^{-1/2}$, as it yields the highest normalized regret, to verify the validity of the obtained description. The minimal size of the control horizon when the normalized regret is not noticeably larger than maximum possible was estimated.
Letter-to-letter transducers are a standard formalism for modeling reactive systems. Often, two transducers that model similar systems differ locally from one another, by behaving similarly, up to permutations of the input and output letters within "rounds". In this work, we introduce and study notions of simulation by rounds and equivalence by rounds of transducers. In our setting, words are partitioned to consecutive subwords of a fixed length $k$, called rounds. Then, a transducer $\mathcal{T}_1$ is $k$-round simulated by transducer $\mathcal{T}_2$ if, intuitively, for every input word $x$, we can permute the letters within each round in $x$, such that the output of $\mathcal{T}_2$ on the permuted word is itself a permutation of the output of $\mathcal{T}_1$ on $x$. Finally, two transducers are $k$-round equivalent if they simulate each other. We solve two main decision problems, namely whether $\mathcal{T}_2$ $k$-round simulates $\mathcal{T}_1$ (1) when $k$ is given as input, and (2) for an existentially quantified $k$. We demonstrate the usefulness of the definitions by applying them to process symmetry: a setting in which a permutation in the identities of processes in a multi-process system naturally gives rise to two transducers, whose $k$-round equivalence corresponds to stability against such permutations.
This work studies the generalization error of gradient methods. More specifically, we focus on how training steps $T$ and step-size $\eta$ might affect generalization in smooth stochastic convex optimization (SCO) problems. We first provide tight excess risk lower bounds for Gradient Descent (GD) and Stochastic Gradient Descent (SGD) under the general non-realizable smooth SCO setting, suggesting that existing stability analyses are tight in step-size and iteration dependence, and that overfitting provably happens. Next, we study the case when the loss is realizable, i.e. an optimal solution minimizes all the data points. Recent works show better rates can be attained but the improvement is reduced when training time is long. Our paper examines this observation by providing excess risk lower bounds for GD and SGD in two realizable settings: 1) $\eta T = \bigO{n}$, and (2) $\eta T = \bigOmega{n}$, where $n$ is the size of dataset. In the first case $\eta T = \bigOmega{n}$, our lower bounds tightly match and certify the respective upper bounds. However, for the case $\eta T = \bigOmega{n}$, our analysis indicates a gap between the lower and upper bounds. A conjecture is proposed that the gap can be closed by improving upper bounds, supported by analyses in two special scenarios.
This paper carries out sparse-penalized deep neural networks predictors for learning weakly dependent processes, with a broad class of loss functions. We deal with a general framework that includes, regression estimation, classification, times series prediction, $\cdots$ The $\psi$-weak dependence structure is considered, and for the specific case of bounded observations, $\theta_\infty$-coefficients are also used. In this case of $\theta_\infty$-weakly dependent, a non asymptotic generalization bound within the class of deep neural networks predictors is provided. For learning both $\psi$ and $\theta_\infty$-weakly dependent processes, oracle inequalities for the excess risk of the sparse-penalized deep neural networks estimators are established. When the target function is sufficiently smooth, the convergence rate of these excess risk is close to $\mathcal{O}(n^{-1/3})$. Some simulation results are provided, and application to the forecast of the particulate matter in the Vit\'{o}ria metropolitan area is also considered.
We propose a novel method called SHS-Net for oriented normal estimation of point clouds by learning signed hyper surfaces, which can accurately predict normals with global consistent orientation from various point clouds. Almost all existing methods estimate oriented normals through a two-stage pipeline, i.e., unoriented normal estimation and normal orientation, and each step is implemented by a separate algorithm. However, previous methods are sensitive to parameter settings, resulting in poor results from point clouds with noise, density variations and complex geometries. In this work, we introduce signed hyper surfaces (SHS), which are parameterized by multi-layer perceptron (MLP) layers, to learn to estimate oriented normals from point clouds in an end-to-end manner. The signed hyper surfaces are implicitly learned in a high-dimensional feature space where the local and global information is aggregated. Specifically, we introduce a patch encoding module and a shape encoding module to encode a 3D point cloud into a local latent code and a global latent code, respectively. Then, an attention-weighted normal prediction module is proposed as a decoder, which takes the local and global latent codes as input to predict oriented normals. Experimental results show that our SHS-Net outperforms the state-of-the-art methods in both unoriented and oriented normal estimation on the widely used benchmarks. The code, data and pretrained models are publicly available.
In order to ease the analysis of error propagation in neuromorphic computing and to get a better understanding of spiking neural networks (SNN), we address the problem of mathematical analysis of SNNs as endomorphisms that map spike trains to spike trains. A central question is the adequate structure for a space of spike trains and its implication for the design of error measurements of SNNs including time delay, threshold deviations, and the design of the reinitialization mode of the leaky-integrate-and-fire (LIF) neuron model. First we identify the underlying topology by analyzing the closure of all sub-threshold signals of a LIF model. For zero leakage this approach yields the Alexiewicz topology, which we adopt to LIF neurons with arbitrary positive leakage. As a result LIF can be understood as spike train quantization in the corresponding norm. This way we obtain various error bounds and inequalities such as a quasi isometry relation between incoming and outgoing spike trains. Another result is a Lipschitz-style global upper bound for the error propagation and a related resonance-type phenomenon.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.