Partial differential equations (PDEs) are important tools to model physical systems and including them into machine learning models is an important way of incorporating physical knowledge. Given any system of linear PDEs with constant coefficients, we propose a family of Gaussian process (GP) priors, which we call EPGP, such that all realizations are exact solutions of this system. We apply the Ehrenpreis-Palamodov fundamental principle, which works as a non-linear Fourier transform, to construct GP kernels mirroring standard spectral methods for GPs. Our approach can infer probable solutions of linear PDE systems from any data such as noisy measurements, or pointwise defined initial and boundary conditions. Constructing EPGP-priors is algorithmic, generally applicable, and comes with a sparse version (S-EPGP) that learns the relevant spectral frequencies and works better for big data sets. We demonstrate our approach on three families of systems of PDEs, the heat equation, wave equation, and Maxwell's equations, where we improve upon the state of the art in computation time and precision, in some experiments by several orders of magnitude.
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We propose an approach utilizing gamma-distributed random variables, coupled with log-Gaussian modeling, to generate synthetic datasets suitable for training neural networks. This addresses the challenge of limited real observations in various applications. We apply this methodology to both Raman and coherent anti-Stokes Raman scattering (CARS) spectra, using experimental spectra to estimate gamma process parameters. Parameter estimation is performed using Markov chain Monte Carlo methods, yielding a full Bayesian posterior distribution for the model which can be sampled for synthetic data generation. Additionally, we model the additive and multiplicative background functions for Raman and CARS with Gaussian processes. We train two Bayesian neural networks to estimate parameters of the gamma process which can then be used to estimate the underlying Raman spectrum and simultaneously provide uncertainty through the estimation of parameters of a probability distribution. We apply the trained Bayesian neural networks to experimental Raman spectra of phthalocyanine blue, aniline black, naphthol red, and red 264 pigments and also to experimental CARS spectra of adenosine phosphate, fructose, glucose, and sucrose. The results agree with deterministic point estimates for the underlying Raman and CARS spectral signatures.
Bayesian optimization (BO) is a sample-efficient method and has been widely used for optimizing expensive black-box functions. Recently, there has been a considerable interest in BO literature in optimizing functions that are affected by context variable in the environment, which is uncontrollable by decision makers. In this paper, we focus on the optimization of functions' expectations over continuous context variable, subject to an unknown distribution. To address this problem, we propose two algorithms that employ kernel density estimation to learn the probability density function (PDF) of continuous context variable online. The first algorithm is simpler, which directly optimizes the expectation under the estimated PDF. Considering that the estimated PDF may have high estimation error when the true distribution is complicated, we further propose the second algorithm that optimizes the distributionally robust objective. Theoretical results demonstrate that both algorithms have sub-linear Bayesian cumulative regret on the expectation objective. Furthermore, we conduct numerical experiments to empirically demonstrate the effectiveness of our algorithms.
Stochastic differential equations (SDEs) have been widely used to model real world random phenomena. Existing works mainly focus on the case where the time series is modeled by a single SDE, which might be restrictive for modeling time series with distributional shift. In this work, we propose a change point detection algorithm for time series modeled as neural SDEs. Given a time series dataset, the proposed method jointly learns the unknown change points and the parameters of distinct neural SDE models corresponding to each change point. Specifically, the SDEs are learned under the framework of generative adversarial networks (GANs) and the change points are detected based on the output of the GAN discriminator in a forward pass. At each step of the proposed algorithm, the change points and the SDE model parameters are updated in an alternating fashion. Numerical results on both synthetic and real datasets are provided to validate the performance of our algorithm in comparison to classical change point detection benchmarks, standard GAN-based neural SDEs, and other state-of-the-art deep generative models for time series data.
State space models (SSMs) are widely used to describe dynamic systems. However, when the likelihood of the observations is intractable, parameter inference for SSMs cannot be easily carried out using standard Markov chain Monte Carlo or sequential Monte Carlo methods. In this paper, we propose a particle Gibbs sampler as a general strategy to handle SSMs with intractable likelihoods in the approximate Bayesian computation (ABC) setting. The proposed sampler incorporates a conditional auxiliary particle filter, which can help mitigate the weight degeneracy often encountered in ABC. To illustrate the methodology, we focus on a classic stochastic volatility model (SVM) used in finance and econometrics for analyzing and interpreting volatility. Simulation studies demonstrate the accuracy of our sampler for SVM parameter inference, compared to existing particle Gibbs samplers based on the conditional bootstrap filter. As a real data application, we apply the proposed sampler for fitting an SVM to S&P 500 Index time-series data during the 2008 financial crisis.
Many functions characterising physical systems are additively separable. This is the case, for instance, of mechanical Hamiltonian functions in physics, population growth equations in biology, and consumer preference and utility functions in economics. We consider the scenario in which a surrogate of a function is to be tested for additive separability. The detection that the surrogate is additively separable can be leveraged to improve further learning. Hence, it is beneficial to have the ability to test for such separability in surrogates. The mathematical approach is to test if the mixed partial derivative of the surrogate is zero; or empirically, lower than a threshold. We present and comparatively and empirically evaluate the eight methods to compute the mixed partial derivative of a surrogate function.
Predictive algorithms are often trained by optimizing some loss function, to which regularization functions are added to impose a penalty for violating constraints. As expected, the addition of such regularization functions can change the minimizer of the objective. It is not well-understood which regularizers change the minimizer of the loss, and, when the minimizer does change, how it changes. We use property elicitation to take first steps towards understanding the joint relationship between the loss and regularization functions and the optimal decision for a given problem instance. In particular, we give a necessary and sufficient condition on loss and regularizer pairs for when a property changes with the addition of the regularizer, and examine some regularizers satisfying this condition standard in the fair machine learning literature. We empirically demonstrate how algorithmic decision-making changes as a function of both data distribution changes and hardness of the constraints.
Local fields, and fields complete with respect to a discrete valuation, are essential objects in commutative algebra, with applications to number theory and algebraic geometry. We formalize in Lean the basic theory of discretely valued fields. In particular, we prove that the unit ball with respect to a discrete valuation on a field is a discrete valuation ring and, conversely, that the adic valuation on the field of fractions of a discrete valuation ring is discrete. We define finite extensions of valuations and of discrete valuation rings, and prove some global-to-local results. Building on this general theory, we formalize the abstract definition and some fundamental properties of local fields. As an application, we show that finite extensions of the field $\mathbb{Q}_p$ of $p$-adic numbers and of the field $\mathbb{F}_p(\!(X)\!)$ of Laurent series over $\mathbb{F}_p$ are local fields.
Solving partial differential equations (PDEs) by learning the solution operators has emerged as an attractive alternative to traditional numerical methods. However, implementing such architectures presents two main challenges: flexibility in handling irregular and arbitrary input and output formats and scalability to large discretizations. Most existing architectures are limited by their desired structure or infeasible to scale large inputs and outputs. To address these issues, we introduce an attention-based model called an inducing-point operator transformer (IPOT). Inspired by inducing points methods, IPOT is designed to handle any input function and output query while capturing global interactions in a computationally efficient way. By detaching the inputs/outputs discretizations from the processor with a smaller latent bottleneck, IPOT offers flexibility in processing arbitrary discretizations and scales linearly with the size of inputs/outputs. Our experimental results demonstrate that IPOT achieves strong performances with manageable computational complexity on an extensive range of PDE benchmarks and real-world weather forecasting scenarios, compared to state-of-the-art methods.
The quantum communication cost of computing a classical sum of distributed sources is studied over a quantum erasure multiple access channel (QEMAC). $K$ classical messages are distributed across $S$ servers, who also share quantum entanglement in advance. Each server $s\in[S]$ manipulates and sends its quantum subsystem $\mathcal{Q}_s$ to the receiver who computes the sum of the messages. The download cost from Server $s\in [S]$ is the logarithm of the dimension of $\mathcal{Q}_s$. The rate $R$ is defined as the number of instances of the sum computed at the receiver, divided by the total download cost from all the servers. In the symmetric setting with $K= {S \choose \alpha} $ messages where each message is replicated among a unique subset of $\alpha$ servers, and the answers from any $\beta$ servers may be erased, we show that the capacity (maximal rate) is $C= \max\left\{ \min \left\{ \frac{2(\alpha-\beta)}{S}, \frac{S-2\beta}{S} \right\}, \frac{\alpha-\beta}{S} \right\}$.
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.
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