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We provide the first polynomial-time convergence guarantees for the probability flow ODE implementation (together with a corrector step) of score-based generative modeling. Our analysis is carried out in the wake of recent results obtaining such guarantees for the SDE-based implementation (i.e., denoising diffusion probabilistic modeling or DDPM), but requires the development of novel techniques for studying deterministic dynamics without contractivity. Through the use of a specially chosen corrector step based on the underdamped Langevin diffusion, we obtain better dimension dependence than prior works on DDPM ($O(\sqrt{d})$ vs. $O(d)$, assuming smoothness of the data distribution), highlighting potential advantages of the ODE framework.

Random Search is one of the most widely-used method for Hyperparameter Optimization, and is critical to the success of deep learning models. Despite its astonishing performance, little non-heuristic theory has been developed to describe the underlying working mechanism. This paper gives a theoretical accounting of Random Search. We introduce the concept of \emph{scattering dimension} that describes the landscape of the underlying function, and quantifies the performance of random search. We show that, when the environment is noise-free, the output of random search converges to the optimal value in probability at rate $ \widetilde{\mathcal{O}} \left( \left( \frac{1}{T} \right)^{ \frac{1}{d_s} } \right) $, where $ d_s \ge 0 $ is the scattering dimension of the underlying function. When the observed function values are corrupted by bounded $iid$ noise, the output of random search converges to the optimal value in probability at rate $ \widetilde{\mathcal{O}} \left( \left( \frac{1}{T} \right)^{ \frac{1}{d_s + 1} } \right) $. In addition, based on the principles of random search, we introduce an algorithm, called BLiN-MOS, for Lipschitz bandits in doubling metric spaces that are also emdowed with a Borel measure, and show that BLiN-MOS achieves a regret rate of order $ \widetilde{\mathcal{O}} \left( T^{ \frac{d_z}{d_z + 1} } \right) $, where $d_z$ is the zooming dimension of the problem instance. Our results show that in metric spaces with a Borel measure, the classic theory of Lipschitz bandits can be improved. This result suggests an intrinsic axiomatic gap between metric spaces and metric measure spaces from an algorithmic perspective, since the upper bound in a metric measure space breaks the known information-theoretical lower bounds for Lipschitz bandits in a metric space with no measure structure.

Non-stationary multi-armed bandit (NS-MAB) problems have recently received significant attention. NS-MAB are typically modelled in two scenarios: abruptly changing, where reward distributions remain constant for a certain period and change at unknown time steps, and smoothly changing, where reward distributions evolve smoothly based on unknown dynamics. In this paper, we propose Discounted Thompson Sampling (DS-TS) with Gaussian priors to address both non-stationary settings. Our algorithm passively adapts to changes by incorporating a discounted factor into Thompson Sampling. DS-TS method has been experimentally validated, but analysis of the regret upper bound is currently lacking. Under mild assumptions, we show that DS-TS with Gaussian priors can achieve nearly optimal regret bound on the order of $\tilde{O}(\sqrt{TB_T})$ for abruptly changing and $\tilde{O}(T^{\beta})$ for smoothly changing, where $T$ is the number of time steps, $B_T$ is the number of breakpoints, $\beta$ is associated with the smoothly changing environment and $\tilde{O}$ hides the parameters independent of $T$ as well as logarithmic terms. Furthermore, empirical comparisons between DS-TS and other non-stationary bandit algorithms demonstrate its competitive performance. Specifically, when prior knowledge of the maximum expected reward is available, DS-TS has the potential to outperform state-of-the-art algorithms.

Recent work provides promising evidence that Physics-informed neural networks (PINN) can efficiently solve partial differential equations (PDE). However, previous works have failed to provide guarantees on the worst-case residual error of a PINN across the spatio-temporal domain - a measure akin to the tolerance of numerical solvers - focusing instead on point-wise comparisons between their solution and the ones obtained by a solver on a set of inputs. In real-world applications, one cannot consider tests on a finite set of points to be sufficient grounds for deployment, as the performance could be substantially worse on a different set. To alleviate this issue, we establish tolerance-based correctness conditions for PINNs over the entire input domain. To verify the extent to which they hold, we introduce $\partial$-CROWN: a general, efficient and scalable post-training framework to bound PINN residual errors. We demonstrate its effectiveness in obtaining tight certificates by applying it to two classically studied PDEs - Burgers' and Schr\"odinger's equations -, and two more challenging ones with real-world applications - the Allan-Cahn and Diffusion-Sorption equations.

With recent advancements in computer hardware and software platforms, there has been a surge of interest in solving partial differential equations with deep learning-based methods, and the integration with domain decomposition strategies has attracted considerable attention owing to its enhanced representation and parallelization capacities of the network solution. While there are already several works that substitute the subproblem solver with neural networks for overlapping Schwarz methods, the non-overlapping counterpart has not been extensively explored because of the inaccurate flux estimation at interface that would propagate errors to neighbouring subdomains and eventually hinder the convergence of outer iterations. In this study, a novel learning approach for solving elliptic boundary value problems, i.e., the compensated deep Ritz method using neural network extension operators, is proposed to enable reliable flux transmission across subdomain interfaces, thereby allowing us to construct effective learning algorithms for realizing non-overlapping domain decomposition methods (DDMs) in the presence of erroneous interface conditions. Numerical experiments on a variety of elliptic problems, including regular and irregular interfaces, low and high dimensions, two and four subdomains, and smooth and high-contrast coefficients are carried out to validate the effectiveness of our proposed algorithms.

Many machine learning applications and tasks rely on the stochastic gradient descent (SGD) algorithm and its variants. Effective step length selection is crucial for the success of these algorithms, which has motivated the development of algorithms such as ADAM or AdaGrad. In this paper, we propose a novel algorithm for adaptive step length selection in the classical SGD framework, which can be readily adapted to other stochastic algorithms. Our proposed algorithm is inspired by traditional nonlinear optimization techniques and is supported by analytical findings. We show that under reasonable conditions, the algorithm produces step lengths in line with well-established theoretical requirements, and generates iterates that converge to a stationary neighborhood of a solution in expectation. We test the proposed algorithm on logistic regressions and deep neural networks and demonstrate that the algorithm can generate step lengths comparable to the best step length obtained from manual tuning.

Recent advances of data-driven machine learning have revolutionized fields like computer vision, reinforcement learning, and many scientific and engineering domains. In many real-world and scientific problems, systems that generate data are governed by physical laws. Recent work shows that it provides potential benefits for machine learning models by incorporating the physical prior and collected data, which makes the intersection of machine learning and physics become a prevailing paradigm. In this survey, we present this learning paradigm called Physics-Informed Machine Learning (PIML) which is to build a model that leverages empirical data and available physical prior knowledge to improve performance on a set of tasks that involve a physical mechanism. We systematically review the recent development of physics-informed machine learning from three perspectives of machine learning tasks, representation of physical prior, and methods for incorporating physical prior. We also propose several important open research problems based on the current trends in the field. We argue that encoding different forms of physical prior into model architectures, optimizers, inference algorithms, and significant domain-specific applications like inverse engineering design and robotic control is far from fully being explored in the field of physics-informed machine learning. We believe that this study will encourage researchers in the machine learning community to actively participate in the interdisciplinary research of physics-informed machine learning.

Knowledge is a formal way of understanding the world, providing a human-level cognition and intelligence for the next-generation artificial intelligence (AI). One of the representations of knowledge is the structural relations between entities. An effective way to automatically acquire this important knowledge, called Relation Extraction (RE), a sub-task of information extraction, plays a vital role in Natural Language Processing (NLP). Its purpose is to identify semantic relations between entities from natural language text. To date, there are several studies for RE in previous works, which have documented these techniques based on Deep Neural Networks (DNNs) become a prevailing technique in this research. Especially, the supervised and distant supervision methods based on DNNs are the most popular and reliable solutions for RE. This article 1)introduces some general concepts, and further 2)gives a comprehensive overview of DNNs in RE from two points of view: supervised RE, which attempts to improve the standard RE systems, and distant supervision RE, which adopts DNNs to design the sentence encoder and the de-noise method. We further 3)cover some novel methods and describe some recent trends and discuss possible future research directions for this task.

Deep neural networks have been able to outperform humans in some cases like image recognition and image classification. However, with the emergence of various novel categories, the ability to continuously widen the learning capability of such networks from limited samples, still remains a challenge. Techniques like Meta-Learning and/or few-shot learning showed promising results, where they can learn or generalize to a novel category/task based on prior knowledge. In this paper, we perform a study of the existing few-shot meta-learning techniques in the computer vision domain based on their method and evaluation metrics. We provide a taxonomy for the techniques and categorize them as data-augmentation, embedding, optimization and semantics based learning for few-shot, one-shot and zero-shot settings. We then describe the seminal work done in each category and discuss their approach towards solving the predicament of learning from few samples. Lastly we provide a comparison of these techniques on the commonly used benchmark datasets: Omniglot, and MiniImagenet, along with a discussion towards the future direction of improving the performance of these techniques towards the final goal of outperforming humans.

Many tasks in natural language processing can be viewed as multi-label classification problems. However, most of the existing models are trained with the standard cross-entropy loss function and use a fixed prediction policy (e.g., a threshold of 0.5) for all the labels, which completely ignores the complexity and dependencies among different labels. In this paper, we propose a meta-learning method to capture these complex label dependencies. More specifically, our method utilizes a meta-learner to jointly learn the training policies and prediction policies for different labels. The training policies are then used to train the classifier with the cross-entropy loss function, and the prediction policies are further implemented for prediction. Experimental results on fine-grained entity typing and text classification demonstrate that our proposed method can obtain more accurate multi-label classification results.