Option pricing, a fundamental problem in finance, often requires solving non-linear partial differential equations (PDEs). When dealing with multi-asset options, such as rainbow options, these PDEs become high-dimensional, leading to challenges posed by the curse of dimensionality. While deep learning-based PDE solvers have recently emerged as scalable solutions to this high-dimensional problem, their empirical and quantitative accuracy remains not well-understood, hindering their real-world applicability. In this study, we aimed to offer actionable insights into the utility of Deep PDE solvers for practical option pricing implementation. Through comparative experiments, we assessed the empirical performance of these solvers in high-dimensional contexts. Our investigation identified three primary sources of errors in Deep PDE solvers: (i) errors inherent in the specifications of the target option and underlying assets, (ii) errors originating from the asset model simulation methods, and (iii) errors stemming from the neural network training. Through ablation studies, we evaluated the individual impact of each error source. Our results indicate that the Deep BSDE method (DBSDE) is superior in performance and exhibits robustness against variations in option specifications. In contrast, some other methods are overly sensitive to option specifications, such as time to expiration. We also find that the performance of these methods improves inversely proportional to the square root of batch size and the number of time steps. This observation can aid in estimating computational resources for achieving desired accuracies with Deep PDE solvers.
Training students in basic concepts of physics, such as the ones related to mass, volume, or density, is much more complicated than just stating the underlying definitions and laws. One of the reasons for this is that most students have deeply rooted delusions and misconceptions about the behavior of objects, sometimes close to magical thinking. Many innovative and promising technologies, in particular Virtual Reality (VR), can be used to enhance student learning. We compared the effectiveness of a serious immersive game in teaching the concept of density in various conditions: a 2D version in an embedded web browser and a 3D immersive game in VR. We also developed a specific questionnaire to assess students' knowledge improvement. Primary results have shown an increase in learning efficiency using VR. Also, most students were able to see the shortcomings of their initial theories and revise them, which means that they improved their understanding of this topic.
Inference and simulation in the context of high-dimensional dynamical systems remain computationally challenging problems. Some form of dimensionality reduction is required to make the problem tractable in general. In this paper, we propose a novel approximate Gaussian filtering and smoothing method which propagates low-rank approximations of the covariance matrices. This is accomplished by projecting the Lyapunov equations associated with the prediction step to a manifold of low-rank matrices, which are then solved by a recently developed, numerically stable, dynamical low-rank integrator. Meanwhile, the update steps are made tractable by noting that the covariance update only transforms the column space of the covariance matrix, which is low-rank by construction. The algorithm differentiates itself from existing ensemble-based approaches in that the low-rank approximations of the covariance matrices are deterministic, rather than stochastic. Crucially, this enables the method to reproduce the exact Kalman filter as the low-rank dimension approaches the true dimensionality of the problem. Our method reduces computational complexity from cubic (for the Kalman filter) to \emph{quadratic} in the state-space size in the worst-case, and can achieve \emph{linear} complexity if the state-space model satisfies certain criteria. Through a set of experiments in classical data-assimilation and spatio-temporal regression, we show that the proposed method consistently outperforms the ensemble-based methods in terms of error in the mean and covariance with respect to the exact Kalman filter. This comes at no additional cost in terms of asymptotic computational complexity.
Molecular property optimization (MPO) problems are inherently challenging since they are formulated over discrete, unstructured spaces and the labeling process involves expensive simulations or experiments, which fundamentally limits the amount of available data. Bayesian optimization (BO) is a powerful and popular framework for efficient optimization of noisy, black-box objective functions (e.g., measured property values), thus is a potentially attractive framework for MPO. To apply BO to MPO problems, one must select a structured molecular representation that enables construction of a probabilistic surrogate model. Many molecular representations have been developed, however, they are all high-dimensional, which introduces important challenges in the BO process -- mainly because the curse of dimensionality makes it difficult to define and perform inference over a suitable class of surrogate models. This challenge has been recently addressed by learning a lower-dimensional encoding of a SMILE or graph representation of a molecule in an unsupervised manner and then performing BO in the encoded space. In this work, we show that such methods have a tendency to "get stuck," which we hypothesize occurs since the mapping from the encoded space to property values is not necessarily well-modeled by a Gaussian process. We argue for an alternative approach that combines numerical molecular descriptors with a sparse axis-aligned Gaussian process model, which is capable of rapidly identifying sparse subspaces that are most relevant to modeling the unknown property function. We demonstrate that our proposed method substantially outperforms existing MPO methods on a variety of benchmark and real-world problems. Specifically, we show that our method can routinely find near-optimal molecules out of a set of more than $>100$k alternatives within 100 or fewer expensive queries.
In robust optimization problems, the magnitude of perturbations is relatively small. Consequently, solutions within certain regions are less likely to represent the robust optima when perturbations are introduced. Hence, a more efficient search process would benefit from increased opportunities to explore promising regions where global optima or good local optima are situated. In this paper, we introduce a novel robust evolutionary algorithm named the dual-stage robust evolutionary algorithm (DREA) aimed at discovering robust solutions. DREA operates in two stages: the peak-detection stage and the robust solution-searching stage. The primary objective of the peak-detection stage is to identify peaks in the fitness landscape of the original optimization problem. Conversely, the robust solution-searching stage focuses on swiftly identifying the robust optimal solution using information obtained from the peaks discovered in the initial stage. These two stages collectively enable the proposed DREA to efficiently obtain the robust optimal solution for the optimization problem. This approach achieves a balance between solution optimality and robustness by separating the search processes for optimal and robust optimal solutions. Experimental results demonstrate that DREA significantly outperforms five state-of-the-art algorithms across 18 test problems characterized by diverse complexities. Moreover, when evaluated on higher-dimensional robust optimization problems (100-$D$ and 200-$D$), DREA also demonstrates superior performance compared to all five counterpart algorithms.
Statistical problems often involve linear equality and inequality constraints on model parameters. Direct estimation of parameters restricted to general polyhedral cones, particularly when one is interested in estimating low dimensional features, may be challenging. We use a dual form parameterization to characterize parameter vectors restricted to lower dimensional faces of polyhedral cones and use the characterization to define a notion of 'sparsity' on such cones. We show that the proposed notion agrees with the usual notion of sparsity in the unrestricted case and prove the validity of the proposed definition as a measure of sparsity. The identifiable parameterization of the lower dimensional faces allows a generalization of popular spike-and-slab priors to a closed convex polyhedral cone. The prior measure utilizes the geometry of the cone by defining a Markov random field over the adjacency graph of the extreme rays of the cone. We describe an efficient way of computing the posterior of the parameters in the restricted case. We illustrate the usefulness of the proposed methodology for imposing linear equality and inequality constraints by using wearables data from the National Health and Nutrition Examination Survey (NHANES) actigraph study where the daily average activity profiles of participants exhibit patterns that seem to obey such constraints.
We develop a new efficient sequential approximate leverage score algorithm, SALSA, using methods from randomized numerical linear algebra (RandNLA) for large matrices. We demonstrate that, with high probability, the accuracy of SALSA's approximations is within $(1 + O({\varepsilon}))$ of the true leverage scores. In addition, we show that the theoretical computational complexity and numerical accuracy of SALSA surpass existing approximations. These theoretical results are subsequently utilized to develop an efficient algorithm, named LSARMA, for fitting an appropriate ARMA model to large-scale time series data. Our proposed algorithm is, with high probability, guaranteed to find the maximum likelihood estimates of the parameters for the true underlying ARMA model. Furthermore, it has a worst-case running time that significantly improves those of the state-of-the-art alternatives in big data regimes. Empirical results on large-scale data strongly support these theoretical results and underscore the efficacy of our new approach.
The existence of representative datasets is a prerequisite of many successful artificial intelligence and machine learning models. However, the subsequent application of these models often involves scenarios that are inadequately represented in the data used for training. The reasons for this are manifold and range from time and cost constraints to ethical considerations. As a consequence, the reliable use of these models, especially in safety-critical applications, is a huge challenge. Leveraging additional, already existing sources of knowledge is key to overcome the limitations of purely data-driven approaches, and eventually to increase the generalization capability of these models. Furthermore, predictions that conform with knowledge are crucial for making trustworthy and safe decisions even in underrepresented scenarios. This work provides an overview of existing techniques and methods in the literature that combine data-based models with existing knowledge. The identified approaches are structured according to the categories integration, extraction and conformity. Special attention is given to applications in the field of autonomous driving.
Recently, Mutual Information (MI) has attracted attention in bounding the generalization error of Deep Neural Networks (DNNs). However, it is intractable to accurately estimate the MI in DNNs, thus most previous works have to relax the MI bound, which in turn weakens the information theoretic explanation for generalization. To address the limitation, this paper introduces a probabilistic representation of DNNs for accurately estimating the MI. Leveraging the proposed MI estimator, we validate the information theoretic explanation for generalization, and derive a tighter generalization bound than the state-of-the-art relaxations.
Domain generalization (DG), i.e., out-of-distribution generalization, has attracted increased interests in recent years. Domain generalization deals with a challenging setting where one or several different but related domain(s) are given, and the goal is to learn a model that can generalize to an unseen test domain. For years, great progress has been achieved. This paper presents the first review for recent advances in domain generalization. First, we provide a formal definition of domain generalization and discuss several related fields. Next, we thoroughly review the theories related to domain generalization and carefully analyze the theory behind generalization. Then, we categorize recent algorithms into three classes and present them in detail: data manipulation, representation learning, and learning strategy, each of which contains several popular algorithms. Third, we introduce the commonly used datasets and applications. Finally, we summarize existing literature and present some potential research topics for the future.
Multi-relation Question Answering is a challenging task, due to the requirement of elaborated analysis on questions and reasoning over multiple fact triples in knowledge base. In this paper, we present a novel model called Interpretable Reasoning Network that employs an interpretable, hop-by-hop reasoning process for question answering. The model dynamically decides which part of an input question should be analyzed at each hop; predicts a relation that corresponds to the current parsed results; utilizes the predicted relation to update the question representation and the state of the reasoning process; and then drives the next-hop reasoning. Experiments show that our model yields state-of-the-art results on two datasets. More interestingly, the model can offer traceable and observable intermediate predictions for reasoning analysis and failure diagnosis, thereby allowing manual manipulation in predicting the final answer.