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Stochastic partial differential equations (SPDEs) are the mathematical tool of choice to model dynamical systems evolving under the influence of randomness. By formulating the search for a mild solution of an SPDE as a neural fixed-point problem, we introduce the Neural SPDE model to learn solution operators of PDEs with (possibly stochastic) forcing from partially observed data. Our model provides an extension to two classes of physics-inspired neural architectures. On the one hand, it extends Neural CDEs, SDEs, RDEs -- continuous-time analogues of RNNs -- in that it is capable of processing incoming sequential information even when the latter evolves in an infinite dimensional state space. On the other hand, it extends Neural Operators -- generalizations of neural networks to model mappings between spaces of functions -- in that it can be used to learn solution operators $(u_0,\xi) \mapsto u$ of SPDEs depending simultaneously on the initial condition $u_0$ and a realization of the driving noise $\xi$. A Neural SPDE is resolution-invariant, it may be trained using a memory-efficient implicit-differentiation-based backpropagation and, once trained, its evaluation is up to 3 orders of magnitude faster than traditional solvers. Experiments on various semilinear SPDEs, including the 2D stochastic Navier-Stokes equations, demonstrate how Neural SPDEs capable of learning complex spatiotemporal dynamics with better accuracy and using only a modest amount of training data compared to all alternative models.

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ACM/IEEE第23屆模型驅動工程語言和系統國際會議,是模型驅動軟件和系統工程的首要會議系列,由ACM-SIGSOFT和IEEE-TCSE支持組織。自1998年以來,模型涵蓋了建模的各個方面,從語言和方法到工具和應用程序。模特的參加者來自不同的背景,包括研究人員、學者、工程師和工業專業人士。MODELS 2019是一個論壇,參與者可以圍繞建模和模型驅動的軟件和系統交流前沿研究成果和創新實踐經驗。今年的版本將為建模社區提供進一步推進建模基礎的機會,并在網絡物理系統、嵌入式系統、社會技術系統、云計算、大數據、機器學習、安全、開源等新興領域提出建模的創新應用以及可持續性。 官網鏈接: · 相互獨立的 · GM · MoDELS · 學成 ·
2022 年 2 月 3 日

The discovery of structure from time series data is a key problem in fields of study working with complex systems. Most identifiability results and learning algorithms assume the underlying dynamics to be discrete in time. Comparatively few, in contrast, explicitly define dependencies in infinitesimal intervals of time, independently of the scale of observation and of the regularity of sampling. In this paper, we consider score-based structure learning for the study of dynamical systems. We prove that for vector fields parameterized in a large class of neural networks, least squares optimization with adaptive regularization schemes consistently recovers directed graphs of local independencies in systems of stochastic differential equations. Using this insight, we propose a score-based learning algorithm based on penalized Neural Ordinary Differential Equations (modelling the mean process) that we show to be applicable to the general setting of irregularly-sampled multivariate time series and to outperform the state of the art across a range of dynamical systems.

We present substantially generalized and improved quantum algorithms over prior work for inhomogeneous linear and nonlinear ordinary differential equations (ODE). In Berry et al., (2017), a quantum algorithm for a certain class of linear ODEs is given, where the matrix involved needs to be diagonalizable. The quantum algorithm for linear ODEs presented here extends to many classes of non-diagonalizable matrices. The algorithm here can also be exponentially faster for certain classes of diagonalizable matrices. Our linear ODE algorithm is then applied to nonlinear differential equations using Carleman linearization (an approach taken recently by us in Liu et al., (2021)). The improvement over that result is two-fold. First, we obtain an exponentially better dependence on error. This kind of logarithmic dependence on error has also been achieved by Xue et al., (2021), but only for homogeneous nonlinear equations. Second, the present algorithm can handle any sparse, invertible matrix (that models dissipation) if it has a negative log-norm (including non-diagonalizable matrices), whereas Liu et al., (2021) and Xue et al., (2021) additionally require normality.

Motivated by a real-world problem of blood coagulation control in Heparin-treated patients, we use Stochastic Differential Equations (SDEs) to formulate a new class of sequential prediction problems -- with an unknown latent space, unknown non-linear dynamics, and irregular sparse observations. We introduce the Neural Eigen-SDE (NESDE) algorithm for sequential prediction with sparse observations and adaptive dynamics. NESDE applies eigen-decomposition to the dynamics model to allow efficient frequent predictions given sparse observations. In addition, NESDE uses a learning mechanism for adaptive dynamics model, which handles changes in the dynamics both between sequences and within sequences. We demonstrate the accuracy and efficacy of NESDE for both synthetic problems and real-world data. In particular, to the best of our knowledge, we are the first to provide a patient-adapted prediction for blood coagulation following Heparin dosing in the MIMIC-IV dataset. Finally, we publish a simulated gym environment based on our prediction model, for experimentation in algorithms for blood coagulation control.

Bayesian learning via Stochastic Gradient Langevin Dynamics (SGLD) has been suggested for differentially private learning. While previous research provides differential privacy bounds for SGLD at the initial steps of the algorithm or when close to convergence, the question of what differential privacy guarantees can be made in between remains unanswered. This interim region is of great importance, especially for Bayesian neural networks, as it is hard to guarantee convergence to the posterior. This paper shows that using SGLD might result in unbounded privacy loss for this interim region, even when sampling from the posterior is as differentially private as desired.

Despite the non-convex optimization landscape, over-parametrized shallow networks are able to achieve global convergence under gradient descent. The picture can be radically different for narrow networks, which tend to get stuck in badly-generalizing local minima. Here we investigate the cross-over between these two regimes in the high-dimensional setting, and in particular investigate the connection between the so-called mean-field/hydrodynamic regime and the seminal approach of Saad & Solla. Focusing on the case of Gaussian data, we study the interplay between the learning rate, the time scale, and the number of hidden units in the high-dimensional dynamics of stochastic gradient descent (SGD). Our work builds on a deterministic description of SGD in high-dimensions from statistical physics, which we extend and for which we provide rigorous convergence rates.

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.

Neural networks can learn to represent and manipulate numerical information, but they seldom generalize well outside of the range of numerical values encountered during training. To encourage more systematic numerical extrapolation, we propose an architecture that represents numerical quantities as linear activations which are manipulated using primitive arithmetic operators, controlled by learned gates. We call this module a neural arithmetic logic unit (NALU), by analogy to the arithmetic logic unit in traditional processors. Experiments show that NALU-enhanced neural networks can learn to track time, perform arithmetic over images of numbers, translate numerical language into real-valued scalars, execute computer code, and count objects in images. In contrast to conventional architectures, we obtain substantially better generalization both inside and outside of the range of numerical values encountered during training, often extrapolating orders of magnitude beyond trained numerical ranges.

The process of translation is ambiguous, in that there are typically many valid trans- lations for a given sentence. This gives rise to significant variation in parallel cor- pora, however, most current models of machine translation do not account for this variation, instead treating the prob- lem as a deterministic process. To this end, we present a deep generative model of machine translation which incorporates a chain of latent variables, in order to ac- count for local lexical and syntactic varia- tion in parallel corpora. We provide an in- depth analysis of the pitfalls encountered in variational inference for training deep generative models. Experiments on sev- eral different language pairs demonstrate that the model consistently improves over strong baselines.

Deep reinforcement learning (RL) methods generally engage in exploratory behavior through noise injection in the action space. An alternative is to add noise directly to the agent's parameters, which can lead to more consistent exploration and a richer set of behaviors. Methods such as evolutionary strategies use parameter perturbations, but discard all temporal structure in the process and require significantly more samples. Combining parameter noise with traditional RL methods allows to combine the best of both worlds. We demonstrate that both off- and on-policy methods benefit from this approach through experimental comparison of DQN, DDPG, and TRPO on high-dimensional discrete action environments as well as continuous control tasks. Our results show that RL with parameter noise learns more efficiently than traditional RL with action space noise and evolutionary strategies individually.

We introduce a new neural architecture to learn the conditional probability of an output sequence with elements that are discrete tokens corresponding to positions in an input sequence. Such problems cannot be trivially addressed by existent approaches such as sequence-to-sequence and Neural Turing Machines, because the number of target classes in each step of the output depends on the length of the input, which is variable. Problems such as sorting variable sized sequences, and various combinatorial optimization problems belong to this class. Our model solves the problem of variable size output dictionaries using a recently proposed mechanism of neural attention. It differs from the previous attention attempts in that, instead of using attention to blend hidden units of an encoder to a context vector at each decoder step, it uses attention as a pointer to select a member of the input sequence as the output. We call this architecture a Pointer Net (Ptr-Net). We show Ptr-Nets can be used to learn approximate solutions to three challenging geometric problems -- finding planar convex hulls, computing Delaunay triangulations, and the planar Travelling Salesman Problem -- using training examples alone. Ptr-Nets not only improve over sequence-to-sequence with input attention, but also allow us to generalize to variable size output dictionaries. We show that the learnt models generalize beyond the maximum lengths they were trained on. We hope our results on these tasks will encourage a broader exploration of neural learning for discrete problems.

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