Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high interest because of the potential to significantly reduce the repeated evaluation of expensive forward models via traditional numerical solvers when conducting parametric analysis. However, many studies found in the literature primarily focus on the ability of neural network surrogate models to represent deterministic samples or mean field solutions and largely overlook surrogate model performance at the tails of the distribution. The present study examines in detail the ability of neural network surrogate models to capture the full distribution of solution fields over the entire probability space, while emphasis is placed at the tails of the distribution. Serving as a canonical problem is the heat conduction equation with a highly stochastic source term, inducing extremely large variation in the thermal solution field. Comparisons are made between a classic feed-forward fully connected network and a Deep Operator Network architecture, using both data-driven and physics-informed loss functions. Results show that the worst-case prediction errors are an order of magnitude larger than the mean field error, highlighting the importance of the outlier samples. The large errors associated with extreme samples result from the networks having to extrapolate beyond the bounds of the training data. A method for identifying these samples is presented along with a discussion of potential approaches to account of their errors. Among the models considered, the fully connected neural network trained using a weak form residual loss performs best in handling these extrapolated inputs, achieving the highest prediction accuracy for the numerically produced datasets.

A.1 Difference between the performance of two joint policies In Section 3.1, the difference between the performance of two joint policies is expressed as follows: The proof is a multi-agent version of the proof in (Kakade and Langford, 2002). Now we provide the mathematical detail formally. A.2 Approximation that matches the true value to first order In Section 3.1, we claim that Jπ( π) matches J( π) to first order. Intuitively, this means that a sufficiently small update of the joint policy which improves Jπ( π) will also improve J( π). Now we prove it formally.

In this section, we describe the details of the network architectures used in Sec. 4 and 5. We mainly used 4 GPUs (NVIDIAV100; 16GB) for the experiments in Sec. 4 and 5 and it took about 4 hours per seed (in the case of 3M steps). Actually, we conducted exhaustive evaluations through the enormous experiments, and we hope our empirical observations and recommendations help the practitioners to explore the explosive configuration space. Adam Adam Learning rate (policy) 1e-4 5e-5 3e-4 3e-4 Learning rate (value) 1e-4 1e-2 3e-4 3e-4 Weight initialization Uniform Xavier Uniform Xavier Uniform Xavier Uniform Initial output scale (policy) 1.0 1e-4 1e-2 1e-2 Target update Hard - Soft (5e-3) Soft (5e-3) Clipped Double QFalse - True True Table 7: Details of each network architecture. We refer the original implementations of each algorithm which is available online [23, 14, 48, 27, 42].

The upper bound of gradient's Frobenius norm for spectrally-normalized discriminators follows directly. As lw(x) is a linear transformation, we have lcw(x) = c lw(x), and lw(cx) = c lw(x). Moreover, since ReLU and leaky ReLU is linear in R+ and R region, we have ai(cx) = c ai(x). In this section we discuss the gradients with respect the actual parameter wi. From Eq. (12) in [30] we know wtDθ(x) = A, we know that w0tDθ(x) F, otl(x)Dθ(x), and kotl (x)k have upper bounds. From Theorem 1.1 in [44] we know that if wt is initialized with i.i.d random variables from uniform or Gaussian distribution, E kwtkspis lower bounded away from zero at initialization. So k wtDθ(x)kF is upper bounded at initialization. Moreover, we observe empirically that kwtksp is usually increasing during training. Therefore, k wtDθ(x)kF is typically upper bounded during training as well. The following proposition states that spectral normalization also gives an upper bound on kHwi(Dθ)(x)ksp for networks with ReLU or leaky ReLU internal activations.

We have shown experimentally that our method is effective in a variety of domains; however, other problem domains may require additional hyperparameter tuning, which can be expensive.

Machine learning for point clouds has been attracting much attention, with many applications in various fields, such as shape recognition and material science. For enhancing the accuracy of such machine learning methods, it is often effective to incorporate global topological features, which are typically extracted by persistent homology. In the calculation of persistent homology for a point cloud, we choose a filtration for the point cloud, an increasing sequence of spaces. Since the performance of machine learning methods combined with persistent homology is highly affected by the choice of a filtration, we need to tune it depending on data and tasks. In this paper, we propose a framework that learns a filtration adaptively with the use of neural networks. In order to make the resulting persistent homology isometry-invariant, we develop a neural network architecture with such invariance. Additionally, we show a theoretical result on a finite-dimensional approximation of filtration functions, which justifies the proposed network architecture. Experimental results demonstrated the efficacy of our framework in several classification tasks.

This paper proposes a new neural network architecture by introducing an additional dimension called height beyond width and depth. Neural network architectures with height, width, and depth as hyper-parameters are called three-dimensional architectures. It is shown that neural networks with three-dimensional architectures are significantly more expressive than the ones with two-dimensional architectures (those with only width and depth as hyper-parameters), e.g., standard fully connected networks. The new network architecture is constructed recursively via a nested structure, and hence we call a network with the new architecture nested network (NestNet). ANestNet of height sis built with each hidden neuron activated by a NestNet of height s 1.