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Generating various strategies for a given task is challenging. However, it has already proven to bring many assets to the main learning process, such as improved behavior exploration. With the growth in the interest of heterogeneity in solution in evolutionary computation and reinforcement learning, many promising approaches have emerged. To better understand how one guides multiple policies toward distinct strategies and benefit from diversity, we need to analyze further the influence of the reward signal modulation and other evolutionary mechanisms on the obtained behaviors. To that effect, this paper considers an existing evolutionary reinforcement learning framework which exploits multi-objective optimization as a way to obtain policies that succeed at behavior-related tasks as well as completing the main goal. Experiments on the Atari games stress that optimization formulations which do not consider objectives equally fail at generating diversity and even output agents that are worse at solving the problem at hand, regardless of the obtained behaviors.

Deep neural networks are notorious for defying theoretical treatment. However, when the number of parameters in each layer tends to infinity the network function is a Gaussian process (GP) and quantitatively predictive description is possible. Gaussian approximation allows to formulate criteria for selecting hyperparameters, such as variances of weights and biases, as well as the learning rate. These criteria rely on the notion of criticality defined for deep neural networks. In this work we describe a new practical way to diagnose criticality. We introduce \emph{partial Jacobians} of a network, defined as derivatives of preactivations in layer $l$ with respect to preactivations in layer $l_0\leq l$. We derive recurrence relations for the norms of partial Jacobians and utilize these relations to analyze criticality of deep fully connected neural networks with LayerNorm and/or residual connections. We derive and implement a simple and cheap numerical test that allows to select optimal initialization for a broad class of deep neural networks. Using these tools we show quantitatively that proper stacking of the LayerNorm (applied to preactivations) and residual connections leads to an architecture that is critical for any initialization. Finally, we apply our methods to analyze the MLP-Mixer architecture and show that it is everywhere critical.

We introduce a neural implicit framework that bridges discrete differential geometry of triangle meshes and continuous differential geometry of neural implicit surfaces. It exploits the differentiable properties of neural networks and the discrete geometry of triangle meshes to approximate them as the zero-level sets of neural implicit functions. To train a neural implicit function, we propose a loss function that allows terms with high-order derivatives, such as the alignment between the principal directions, to learn more geometric details. During training, we consider a non-uniform sampling strategy based on the discrete curvatures of the triangle mesh to access points with more geometric details. This sampling implies faster learning while preserving geometric accuracy. We present the analytical differential geometry formulas for neural surfaces, such as normal vectors and curvatures. We use them to render the surfaces using sphere tracing. Additionally, we propose a network optimization based on singular value decomposition to reduce the number of parameters.

Big-data-based artificial intelligence (AI) supports profound evolution in almost all of science and technology. However, modeling and forecasting multi-physical systems remain a challenge due to unavoidable data scarcity and noise. Improving the generalization ability of neural networks by "teaching" domain knowledge and developing a new generation of models combined with the physical laws have become promising areas of machine learning research. Different from "deep" fully-connected neural networks embedded with physical information (PINN), a novel shallow framework named physics-informed convolutional network (PICN) is recommended from a CNN perspective, in which the physical field is generated by a deconvolution layer and a single convolution layer. The difference fields forming the physical operator are constructed using the pre-trained shallow convolution layer. An efficient linear interpolation network calculates the loss function involving boundary conditions and the physical constraints in irregular geometry domains. The effectiveness of the current development is illustrated through some numerical cases involving the solving (and estimation) of nonlinear physical operator equations and recovering physical information from noisy observations. Its potential advantage in approximating physical fields with multi-frequency components indicates that PICN may become an alternative neural network solver in physics-informed machine learning.

We study the problem of constructing the control driving a controlled differential equation from discrete observations of the response. By restricting the control to the space of piecewise linear paths, we identify the assumptions that ensure uniqueness. The main contribution of this paper is the introduction of a novel numerical algorithm for the construction of the piecewise linear control, that converges uniformly in time. Uniform convergence is needed for many applications and it is achieved by approaching the problem through the signature representation of the paths, which allows us to work with the whole path simultaneously.

The asymptotic stable region and long-time decay rate of solutions to linear homogeneous Caputo time fractional ordinary differential equations (F-ODEs) are known to be completely determined by the eigenvalues of the coefficient matrix. Very different from the exponential decay of solutions to classical ODEs, solutions of F-ODEs decay only polynomially, leading to the so-called Mittag-Leffler stability, which was already extended to semi-linear F-ODEs with small perturbations. This work is mainly devoted to the qualitative analysis of the long-time behavior of numerical solutions. By applying the singularity analysis of generating functions developed by Flajolet and Odlyzko (SIAM J. Disc. Math. 3 (1990), 216-240), we are able to prove that both $\mathcal{L}$1 scheme and strong $A$-stable fractional linear multistep methods (F-LMMs) can preserve the numerical Mittag-Leffler stability for linear homogeneous F-ODEs exactly as in the continuous case. Through an improved estimate of the discrete fractional resolvent operator, we show that strong $A$-stable F-LMMs are also Mittag-Leffler stable for semi-linear F-ODEs under small perturbations. For the numerical schemes based on $\alpha$-difference approximation to Caputo derivative, we establish the Mittag-Leffler stability for semi-linear problems by making use of properties of the Poisson transformation and the decay rate of the continuous fractional resolvent operator. Numerical experiments are presented for several typical time fractional evolutional equations, including time fractional sub-diffusion equations, fractional linear system and semi-linear F-ODEs. All the numerical results exhibit the typical long-time polynomial decay rate, which is fully consistent with our theoretical predictions.

We present a method for solving linear and nonlinear PDEs based on the variable projection (VarPro) framework and artificial neural networks (ANN). For linear PDEs, enforcing the boundary/initial value problem on the collocation points leads to a separable nonlinear least squares problem about the network coefficients. We reformulate this problem by the VarPro approach to eliminate the linear output-layer coefficients, leading to a reduced problem about the hidden-layer coefficients only. The reduced problem is solved first by the nonlinear least squares method to determine the hidden-layer coefficients, and then the output-layer coefficients are computed by the linear least squares method. For nonlinear PDEs, enforcing the boundary/initial value problem on the collocation points leads to a nonlinear least squares problem that is not separable, which precludes the VarPro strategy for such problems. To enable the VarPro approach for nonlinear PDEs, we first linearize the problem with a Newton iteration, using a particular form of linearization. The linearized system is solved by the VarPro framework together with ANNs. Upon convergence of the Newton iteration, the network coefficients provide the representation of the solution field to the original nonlinear problem. We present ample numerical examples with linear and nonlinear PDEs to demonstrate the performance of the method herein. For smooth field solutions, the errors of the current method decrease exponentially as the number of collocation points or the number of output-layer coefficients increases. We compare the current method with the ELM method from a previous work. Under identical conditions and network configurations, the current method exhibits an accuracy significantly superior to the ELM method.

We study the link between generalization and interference in temporal-difference (TD) learning. Interference is defined as the inner product of two different gradients, representing their alignment. This quantity emerges as being of interest from a variety of observations about neural networks, parameter sharing and the dynamics of learning. We find that TD easily leads to low-interference, under-generalizing parameters, while the effect seems reversed in supervised learning. We hypothesize that the cause can be traced back to the interplay between the dynamics of interference and bootstrapping. This is supported empirically by several observations: the negative relationship between the generalization gap and interference in TD, the negative effect of bootstrapping on interference and the local coherence of targets, and the contrast between the propagation rate of information in TD(0) versus TD($\lambda$) and regression tasks such as Monte-Carlo policy evaluation. We hope that these new findings can guide the future discovery of better bootstrapping methods.

We introduce a new family of deep neural network models. Instead of specifying a discrete sequence of hidden layers, we parameterize the derivative of the hidden state using a neural network. The output of the network is computed using a black-box differential equation solver. These continuous-depth models have constant memory cost, adapt their evaluation strategy to each input, and can explicitly trade numerical precision for speed. We demonstrate these properties in continuous-depth residual networks and continuous-time latent variable models. We also construct continuous normalizing flows, a generative model that can train by maximum likelihood, without partitioning or ordering the data dimensions. For training, we show how to scalably backpropagate through any ODE solver, without access to its internal operations. This allows end-to-end training of ODEs within larger models.

We propose a new method of estimation in topic models, that is not a variation on the existing simplex finding algorithms, and that estimates the number of topics K from the observed data. We derive new finite sample minimax lower bounds for the estimation of A, as well as new upper bounds for our proposed estimator. We describe the scenarios where our estimator is minimax adaptive. Our finite sample analysis is valid for any number of documents (n), individual document length (N_i), dictionary size (p) and number of topics (K), and both p and K are allowed to increase with n, a situation not handled well by previous analyses. We complement our theoretical results with a detailed simulation study. We illustrate that the new algorithm is faster and more accurate than the current ones, although we start out with a computational and theoretical disadvantage of not knowing the correct number of topics K, while we provide the competing methods with the correct value in our simulations.