Regressing the vector field of a dynamical system from a finite number of observed states is a natural way to learn surrogate models for such systems. A simple and interpretable way to learn a dynamical system from data is to interpolate its vector-field with a data-adapted kernel which can be learned by using Kernel Flows. The method of Kernel Flows is a trainable machine learning method that learns the optimal parameters of a kernel based on the premise that a kernel is good if there is no significant loss in accuracy if half of the data is used. The objective function could be a short-term prediction or some other objective for other variants of Kernel Flows). However, this method is limited by the choice of the base kernel. In this paper, we introduce the method of \emph{Sparse Kernel Flows } in order to learn the ``best'' kernel by starting from a large dictionary of kernels. It is based on sparsifying a kernel that is a linear combination of elemental kernels. We apply this approach to a library of 132 chaotic systems.
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Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior. Machine learning methods that are used to produce the surrogate model should therefore address these problems by providing a scheme to keep the number of queries small, e.g. by using active learning and be able to capture the nonlinear and nonstationary properties of the system. One way of modeling the nonstationarity is to induce input-partitioning, a principle that has proven to be advantageous in active learning for Gaussian processes. However, these methods either assume a known partitioning, need to introduce complex sampling schemes or rely on very simple geometries. In this work, we present a simple, yet powerful kernel family that incorporates a partitioning that: i) is learnable via gradient-based methods, ii) uses a geometry that is more flexible than previous ones, while still being applicable in the low data regime. Thus, it provides a good prior for active learning procedures. We empirically demonstrate excellent performance on various active learning tasks.
Transition systems are often used to describe the behaviour of software systems. If viewed as a graph then, at their most basic level, vertices correspond to the states of a program and each edge represents a transition between states via the (atomic) action labelled. In this setting, systems are thought to be consistent so that at each state formulas are evaluated as either True or False. On the other hand, when a structure of this sort - for example a map where states represent locations, some local properties are known and labelled transitions represent information available about different routes - is built resorting to multiple sources of information, it is common to find inconsistent or incomplete information regarding what holds at each state, both at the level of propositional variables and transitions. This paper aims at bringing together Belnap's four values, Dynamic Logic and hybrid machinery such as nominals and the satisfaction operator, so that reasoning is still possible in face of contradicting evidence. Proof-theory for this new logic is explored by means of a terminating, sound and complete tableaux system.
Prescriptive Process Monitoring is a prominent problem in Process Mining, which consists in identifying a set of actions to be recommended with the goal of optimising a target measure of interest or Key Performance Indicator (KPI). One challenge that makes this problem difficult is the need to provide Prescriptive Process Monitoring techniques only based on temporally annotated (process) execution data, stored in, so-called execution logs, due to the lack of well crafted and human validated explicit models. In this paper we aim at proposing an AI based approach that learns, by means of Reinforcement Learning (RL), an optimal policy (almost) only from the observation of past executions and recommends the best activities to carry on for optimizing a KPI of interest. This is achieved first by learning a Markov Decision Process for the specific KPIs from data, and then by using RL training to learn the optimal policy. The approach is validated on real and synthetic datasets and compared with off-policy Deep RL approaches. The ability of our approach to compare with, and often overcome, Deep RL approaches provides a contribution towards the exploitation of white box RL techniques in scenarios where only temporal execution data are available.
The support vector machines (SVM) is a powerful classifier used for binary classification to improve the prediction accuracy. However, the non-differentiability of the SVM hinge loss function can lead to computational difficulties in high dimensional settings. To overcome this problem, we rely on Bernstein polynomial and propose a new smoothed version of the SVM hinge loss called the Bernstein support vector machine (BernSVM), which is suitable for the high dimension $p >> n$ regime. As the BernSVM objective loss function is of the class $C^2$, we propose two efficient algorithms for computing the solution of the penalized BernSVM. The first algorithm is based on coordinate descent with maximization-majorization (MM) principle and the second one is IRLS-type algorithm (iterative re-weighted least squares). Under standard assumptions, we derive a cone condition and a restricted strong convexity to establish an upper bound for the weighted Lasso BernSVM estimator. Using a local linear approximation, we extend the latter result to penalized BernSVM with non convex penalties SCAD and MCP. Our bound holds with high probability and achieves a rate of order $\sqrt{s\log(p)/n}$, where $s$ is the number of active features. Simulation studies are considered to illustrate the prediction accuracy of BernSVM to its competitors and also to compare the performance of the two algorithms in terms of computational timing and error estimation. The use of the proposed method is illustrated through analysis of three large-scale real data examples.
Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.
Data in Knowledge Graphs often represents part of the current state of the real world. Thus, to stay up-to-date the graph data needs to be updated frequently. To utilize information from Knowledge Graphs, many state-of-the-art machine learning approaches use embedding techniques. These techniques typically compute an embedding, i.e., vector representations of the nodes as input for the main machine learning algorithm. If a graph update occurs later on -- specifically when nodes are added or removed -- the training has to be done all over again. This is undesirable, because of the time it takes and also because downstream models which were trained with these embeddings have to be retrained if they change significantly. In this paper, we investigate embedding updates that do not require full retraining and evaluate them in combination with various embedding models on real dynamic Knowledge Graphs covering multiple use cases. We study approaches that place newly appearing nodes optimally according to local information, but notice that this does not work well. However, we find that if we continue the training of the old embedding, interleaved with epochs during which we only optimize for the added and removed parts, we obtain good results in terms of typical metrics used in link prediction. This performance is obtained much faster than with a complete retraining and hence makes it possible to maintain embeddings for dynamic Knowledge Graphs.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
To solve the information explosion problem and enhance user experience in various online applications, recommender systems have been developed to model users preferences. Although numerous efforts have been made toward more personalized recommendations, recommender systems still suffer from several challenges, such as data sparsity and cold start. In recent years, generating recommendations with the knowledge graph as side information has attracted considerable interest. Such an approach can not only alleviate the abovementioned issues for a more accurate recommendation, but also provide explanations for recommended items. In this paper, we conduct a systematical survey of knowledge graph-based recommender systems. We collect recently published papers in this field and summarize them from two perspectives. On the one hand, we investigate the proposed algorithms by focusing on how the papers utilize the knowledge graph for accurate and explainable recommendation. On the other hand, we introduce datasets used in these works. Finally, we propose several potential research directions in this field.
Contextual word representations derived from pre-trained bidirectional language models (biLMs) have recently been shown to provide significant improvements to the state of the art for a wide range of NLP tasks. However, many questions remain as to how and why these models are so effective. In this paper, we present a detailed empirical study of how the choice of neural architecture (e.g. LSTM, CNN, or self attention) influences both end task accuracy and qualitative properties of the representations that are learned. We show there is a tradeoff between speed and accuracy, but all architectures learn high quality contextual representations that outperform word embeddings for four challenging NLP tasks. Additionally, all architectures learn representations that vary with network depth, from exclusively morphological based at the word embedding layer through local syntax based in the lower contextual layers to longer range semantics such coreference at the upper layers. Together, these results suggest that unsupervised biLMs, independent of architecture, are learning much more about the structure of language than previously appreciated.
State-of-the-art recommendation algorithms -- especially the collaborative filtering (CF) based approaches with shallow or deep models -- usually work with various unstructured information sources for recommendation, such as textual reviews, visual images, and various implicit or explicit feedbacks. Though structured knowledge bases were considered in content-based approaches, they have been largely neglected recently due to the availability of vast amount of data, and the learning power of many complex models. However, structured knowledge bases exhibit unique advantages in personalized recommendation systems. When the explicit knowledge about users and items is considered for recommendation, the system could provide highly customized recommendations based on users' historical behaviors. A great challenge for using knowledge bases for recommendation is how to integrated large-scale structured and unstructured data, while taking advantage of collaborative filtering for highly accurate performance. Recent achievements on knowledge base embedding sheds light on this problem, which makes it possible to learn user and item representations while preserving the structure of their relationship with external knowledge. In this work, we propose to reason over knowledge base embeddings for personalized recommendation. Specifically, we propose a knowledge base representation learning approach to embed heterogeneous entities for recommendation. Experimental results on real-world dataset verified the superior performance of our approach compared with state-of-the-art baselines.
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