اشترك بالحزمة الذهبية واحصل على وصول غير محدود شمرا أكاديميا
تسجيل مستخدم جديدOptimizing Functionals on the Space of Probabilities with Input Convex Neural Networks
308
0
0.0
(
0
)
اسأل ChatGPT حول البحث
ﻻ يوجد ملخص باللغة العربية
Gradient flows are a powerful tool for optimizing functionals in general metric spaces, including the space of probabilities endowed with the Wasserstein metric. A typical approach to solving this optimization problem relies on its connection to the dynamic formulation of optimal transport and the celebrated Jordan-Kinderlehrer-Otto (JKO) scheme. However, this formulation involves optimization over convex functions, which is challenging, especially in high dimensions. In this work, we propose an approach that relies on the recently introduced input-convex neural networks (ICNN) to parameterize the space of convex functions in order to approximate the JKO scheme, as well as in designing functionals over measures that enjoy convergence guarantees. We derive a computationally efficient implementation of this JKO-ICNN framework and use various experiments to demonstrate its feasibility and validity in approximating solutions of low-dimensional partial differential equations with known solutions. We also explore the use of our JKO-ICNN approach in high dimensions with an experiment in controlled generation for molecular discovery.
قيم البحث
اقرأ أيضاً
This paper proposes a new family of algorithms for training neural networks (NNs). These are based on recent developments in the field of non-convex optimization, going under the general name of successive convex approximation (SCA) techniques. The b
asic idea is to iteratively replace the original (non-convex, highly dimensional) learning problem with a sequence of (strongly convex) approximations, which are both accurate and simple to optimize. Differently from similar ideas (e.g., quasi-Newton algorithms), the approximations can be constructed using only first-order information of the neural network function, in a stochastic fashion, while exploiting the overall structure of the learning problem for a faster convergence. We discuss several use cases, based on different choices for the loss function (e.g., squared loss and cross-entropy loss), and for the regularization of the NNs weights. We experiment on several medium-sized benchmark problems, and on a large-scale dataset involving simulated physical data. The results show how the algorithm outperforms state-of-the-art techniques, providing faster convergence to a better minimum. Additionally, we show how the algorithm can be easily parallelized over multiple computational units without hindering its performance. In particular, each computational unit can optimize a tailored surrogate function defined on a randomly assigned subset of the input variables, whose dimension can be selected depending entirely on the available computational power.
This paper presents new machine learning approaches to approximate the solution of optimal stopping problems. The key idea of these methods is to use neural networks, where the hidden layers are generated randomly and only the last layer is trained,
in order to approximate the continuation value. Our approaches are applicable for high dimensional problems where the existing approaches become increasingly impractical. In addition, since our approaches can be optimized using a simple linear regression, they are very easy to implement and theoretical guarantees can be provided. In Markovian examples our randomized reinforcement learning approach and in non-Markovian examples our randomized recurrent neural network approach outperform the state-of-the-art and other relevant machine learning approaches.
Neural networks have excelled at regression and classification problems when the input space consists of scalar variables. As a result of this proficiency, several popular packages have been developed that allow users to easily fit these kinds of mod
els. However, the methodology has excluded the use of functional covariates and to date, there exists no software that allows users to build deep learning models with this generalized input space. To the best of our knowledge, the functional neural network (FuncNN) library is the first such package in any programming language; the library has been developed for R and is built on top of the keras architecture. Throughout this paper, several functions are introduced that provide users an avenue to easily build models, generate predictions, and run cross-validations. A summary of the underlying methodology is also presented. The ultimate contribution is a package that provides a set of general modelling and diagnostic tools for data problems in which there exist both functional and scalar covariates.
The increasing penetration of renewables in distribution networks calls for faster and more advanced voltage regulation strategies. A promising approach is to formulate the problem as an optimization problem, where the optimal reactive power injectio
n from inverters are calculated to maintain the voltages while satisfying power network constraints. However, existing optimization algorithms require the exact topology and line parameters of underlying distribution system, which are not known for most cases and are difficult to infer. In this paper, we propose to use specifically designed neural network to tackle the learning and optimization problem together. In the training stage, the proposed input convex neural network learns the mapping between the power injections and the voltages. In the voltage regulation stage, such trained network can find the optimal reactive power injections by design. We also provide a practical distributed algorithm by using the trained neural network. Theoretical bounds on the representation performance and learning efficiency of proposed model are also discussed. Numerical simulations on multiple test systems are conducted to illustrate the operation of the algorithm.
In recent years, graph neural networks (GNNs) have gained increasing popularity and have shown very promising results for data that are represented by graphs. The majority of GNN architectures are designed based on developing new convolutional and/or
pooling layers that better extract the hidden and deeper representations of the graphs to be used for different prediction tasks. The inputs to these layers are mainly the three default descriptors of a graph, node features $(X)$, adjacency matrix $(A)$, and edge features $(W)$ (if available). To provide a more enriched input to the network, we propose a random walk data processing of the graphs based on three selected lengths. Namely, (regular) walks of length 1 and 2, and a fractional walk of length $gamma in (0,1)$, in order to capture the different local and global dynamics on the graphs. We also calculate the stationary distribution of each random walk, which is then used as a scaling factor for the initial node features ($X$). This way, for each graph, the network receives multiple adjacency matrices along with their individual weighting for the node features. We test our method on various molecular datasets by passing the processed node features to the network in order to perform several classification and regression tasks. Interestingly, our method, not using edge features which are heavily exploited in molecular graph learning, let a shallow network outperform well known deep GNNs.
الأسئلة المقترحة
سجل دخول لتتمكن من نشر تعليقات
التعليقات
جاري جلب التعليقات
سجل دخول لتتمكن من متابعة معايير البحث التي قمت باختيارها
