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Deep learning methods are emerging as popular computational tools for solving forward and inverse problems in traffic flow. In this paper, we study a neural operator framework for learning solutions to nonlinear hyperbolic partial differential equations with applications in macroscopic traffic flow models. In this framework, an operator is trained to map heterogeneous and sparse traffic input data to the complete macroscopic traffic state in a supervised learning setting. We chose a physics-informed Fourier neural operator ($\pi$-FNO) as the operator, where an additional physics loss based on a discrete conservation law regularizes the problem during training to improve the shock predictions. We also propose to use training data generated from random piecewise constant input data to systematically capture the shock and rarefied solutions. From experiments using the LWR traffic flow model, we found superior accuracy in predicting the density dynamics of a ring-road network and urban signalized road. We also found that the operator can be trained using simple traffic density dynamics, e.g., consisting of $2-3$ vehicle queues and $1-2$ traffic signal cycles, and it can predict density dynamics for heterogeneous vehicle queue distributions and multiple traffic signal cycles $(\geq 2)$ with an acceptable error. The extrapolation error grew sub-linearly with input complexity for a proper choice of the model architecture and training data. Adding a physics regularizer aided in learning long-term traffic density dynamics, especially for problems with periodic boundary data.

Although deep learning techniques have shown significant achievements, they frequently depend on extensive amounts of hand-labeled data and tend to perform inadequately in few-shot scenarios. The objective of this study is to devise a strategy that can improve the model's capability to recognize biomedical entities in scenarios of few-shot learning. By redefining biomedical named entity recognition (BioNER) as a machine reading comprehension (MRC) problem, we propose a demonstration-based learning method to address few-shot BioNER, which involves constructing appropriate task demonstrations. In assessing our proposed method, we compared the proposed method with existing advanced methods using six benchmark datasets, including BC4CHEMD, BC5CDR-Chemical, BC5CDR-Disease, NCBI-Disease, BC2GM, and JNLPBA. We examined the models' efficacy by reporting F1 scores from both the 25-shot and 50-shot learning experiments. In 25-shot learning, we observed 1.1% improvements in the average F1 scores compared to the baseline method, reaching 61.7%, 84.1%, 69.1%, 70.1%, 50.6%, and 59.9% on six datasets, respectively. In 50-shot learning, we further improved the average F1 scores by 1.0% compared to the baseline method, reaching 73.1%, 86.8%, 76.1%, 75.6%, 61.7%, and 65.4%, respectively. We reported that in the realm of few-shot learning BioNER, MRC-based language models are much more proficient in recognizing biomedical entities compared to the sequence labeling approach. Furthermore, our MRC-language models can compete successfully with fully-supervised learning methodologies that rely heavily on the availability of abundant annotated data. These results highlight possible pathways for future advancements in few-shot BioNER methodologies.

We address the computational efficiency in solving the A-optimal Bayesian design of experiments problems for which the observational map is based on partial differential equations and, consequently, is computationally expensive to evaluate. A-optimality is a widely used and easy-to-interpret criterion for Bayesian experimental design. This criterion seeks the optimal experimental design by minimizing the expected conditional variance, which is also known as the expected posterior variance. This study presents a novel likelihood-free approach to the A-optimal experimental design that does not require sampling or integrating the Bayesian posterior distribution. The expected conditional variance is obtained via the variance of the conditional expectation using the law of total variance, and we take advantage of the orthogonal projection property to approximate the conditional expectation. We derive an asymptotic error estimation for the proposed estimator of the expected conditional variance and show that the intractability of the posterior distribution does not affect the performance of our approach. We use an artificial neural network (ANN) to approximate the nonlinear conditional expectation in the implementation of our method. We then extend our approach for dealing with the case that the domain of experimental design parameters is continuous by integrating the training process of the ANN into minimizing the expected conditional variance. Through numerical experiments, we demonstrate that our method greatly reduces the number of observation model evaluations compared with widely used importance sampling-based approaches. This reduction is crucial, considering the high computational cost of the observational models. Code is available at //github.com/vinh-tr-hoang/DOEviaPACE.

The direct deep learning simulation for multi-scale problems remains a challenging issue. In this work, a novel higher-order multi-scale deep Ritz method (HOMS-DRM) is developed for thermal transfer equation of authentic composite materials with highly oscillatory and discontinuous coefficients. In this novel HOMS-DRM, higher-order multi-scale analysis and modeling are first employed to overcome limitations of prohibitive computation and Frequency Principle when direct deep learning simulation. Then, improved deep Ritz method are designed to high-accuracy and mesh-free simulation for macroscopic homogenized equation without multi-scale property and microscopic lower-order and higher-order cell problems with highly discontinuous coefficients. Moreover, the theoretical convergence of the proposed HOMS-DRM is rigorously demonstrated under appropriate assumptions. Finally, extensive numerical experiments are presented to show the computational accuracy of the proposed HOMS-DRM. This study offers a robust and high-accuracy multi-scale deep learning framework that enables the effective simulation and analysis of multi-scale problems of authentic composite materials.

The decentralized and privacy-preserving nature of federated learning (FL) makes it vulnerable to backdoor attacks aiming to manipulate the behavior of the resulting model on specific adversary-chosen inputs. However, most existing defenses based on statistical differences take effect only against specific attacks, especially when the malicious gradients are similar to benign ones or the data are highly non-independent and identically distributed (non-IID). In this paper, we revisit the distance-based defense methods and discover that i) Euclidean distance becomes meaningless in high dimensions and ii) malicious gradients with diverse characteristics cannot be identified by a single metric. To this end, we present a simple yet effective defense strategy with multi-metrics and dynamic weighting to identify backdoors adaptively. Furthermore, our novel defense has no reliance on predefined assumptions over attack settings or data distributions and little impact on benign performance. To evaluate the effectiveness of our approach, we conduct comprehensive experiments on different datasets under various attack settings, where our method achieves the best defensive performance. For instance, we achieve the lowest backdoor accuracy of 3.06% under the difficult Edge-case PGD, showing significant superiority over previous defenses. The results also demonstrate that our method can be well-adapted to a wide range of non-IID degrees without sacrificing the benign performance.

We describe a novel algorithm for solving general parametric (nonlinear) eigenvalue problems. Our method has two steps: first, high-accuracy solutions of non-parametric versions of the problem are gathered at some values of the parameters; these are then combined to obtain global approximations of the parametric eigenvalues. To gather the non-parametric data, we use non-intrusive contour-integration-based methods, which, however, cannot track eigenvalues that migrate into/out of the contour as the parameter changes. Special strategies are described for performing the combination-over-parameter step despite having only partial information on such "migrating" eigenvalues. Moreover, we dedicate a special focus to the approximation of eigenvalues that undergo bifurcations. Finally, we propose an adaptive strategy that allows one to effectively apply our method even without any a priori information on the behavior of the sought-after eigenvalues. Numerical tests are performed, showing that our algorithm can achieve remarkably high approximation accuracy.

Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. We present a survey of the most commonly used loss functions for a wide range of different applications, divided into classification, regression, ranking, sample generation and energy based modelling. Overall, we introduce 33 different loss functions and we organise them into an intuitive taxonomy. Each loss function is given a theoretical backing and we describe where it is best used. This survey aims to provide a reference of the most essential loss functions for both beginner and advanced machine learning practitioners.

The goal of explainable Artificial Intelligence (XAI) is to generate human-interpretable explanations, but there are no computationally precise theories of how humans interpret AI generated explanations. The lack of theory means that validation of XAI must be done empirically, on a case-by-case basis, which prevents systematic theory-building in XAI. We propose a psychological theory of how humans draw conclusions from saliency maps, the most common form of XAI explanation, which for the first time allows for precise prediction of explainee inference conditioned on explanation. Our theory posits that absent explanation humans expect the AI to make similar decisions to themselves, and that they interpret an explanation by comparison to the explanations they themselves would give. Comparison is formalized via Shepard's universal law of generalization in a similarity space, a classic theory from cognitive science. A pre-registered user study on AI image classifications with saliency map explanations demonstrate that our theory quantitatively matches participants' predictions of the AI.

In large-scale systems there are fundamental challenges when centralised techniques are used for task allocation. The number of interactions is limited by resource constraints such as on computation, storage, and network communication. We can increase scalability by implementing the system as a distributed task-allocation system, sharing tasks across many agents. However, this also increases the resource cost of communications and synchronisation, and is difficult to scale. In this paper we present four algorithms to solve these problems. The combination of these algorithms enable each agent to improve their task allocation strategy through reinforcement learning, while changing how much they explore the system in response to how optimal they believe their current strategy is, given their past experience. We focus on distributed agent systems where the agents' behaviours are constrained by resource usage limits, limiting agents to local rather than system-wide knowledge. We evaluate these algorithms in a simulated environment where agents are given a task composed of multiple subtasks that must be allocated to other agents with differing capabilities, to then carry out those tasks. We also simulate real-life system effects such as networking instability. Our solution is shown to solve the task allocation problem to 6.7% of the theoretical optimal within the system configurations considered. It provides 5x better performance recovery over no-knowledge retention approaches when system connectivity is impacted, and is tested against systems up to 100 agents with less than a 9% impact on the algorithms' performance.

The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.