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We determine the Lagrange function in Taylor polynomial approximation by solving an appropriate initial-value problem. Hence, we determine the remainder term which we then approximate by means of a natural cubic spline. This results in a significant improvement in the quality of the Taylor approximation. We observe improvements in the accuracy of the approximation of many orders of magnitude, including a case when the independent variable x lies beyond the relevant radius of convergence.

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No free lunch theorems for supervised learning state that no learner can solve all problems or that all learners achieve exactly the same accuracy on average over a uniform distribution on learning problems. Accordingly, these theorems are often referenced in support of the notion that individual problems require specially tailored inductive biases. While virtually all uniformly sampled datasets have high complexity, real-world problems disproportionately generate low-complexity data, and we argue that neural network models share this same preference, formalized using Kolmogorov complexity. Notably, we show that architectures designed for a particular domain, such as computer vision, can compress datasets on a variety of seemingly unrelated domains. Our experiments show that pre-trained and even randomly initialized language models prefer to generate low-complexity sequences. Whereas no free lunch theorems seemingly indicate that individual problems require specialized learners, we explain how tasks that often require human intervention such as picking an appropriately sized model when labeled data is scarce or plentiful can be automated into a single learning algorithm. These observations justify the trend in deep learning of unifying seemingly disparate problems with an increasingly small set of machine learning models.

As the potential of foundation models in visual tasks has garnered significant attention, pretraining these models before downstream tasks has become a crucial step. The three key factors in pretraining foundation models are the pretraining method, the size of the pretraining dataset, and the number of model parameters. Recently, research in the remote sensing field has focused primarily on the pretraining method and the size of the dataset, with limited emphasis on the number of model parameters. This paper addresses this gap by examining the effect of increasing the number of model parameters on the performance of foundation models in downstream tasks such as rotated object detection and semantic segmentation. We pretrained foundation models with varying numbers of parameters, including 86M, 605.26M, 1.3B, and 2.4B, to determine whether performance in downstream tasks improved with an increase in parameters. To the best of our knowledge, this is the first billion-scale foundation model in the remote sensing field. Furthermore, we propose an effective method for scaling up and fine-tuning a vision transformer in the remote sensing field. To evaluate general performance in downstream tasks, we employed the DOTA v2.0 and DIOR-R benchmark datasets for rotated object detection, and the Potsdam and LoveDA datasets for semantic segmentation. Experimental results demonstrated that, across all benchmark datasets and downstream tasks, the performance of the foundation models and data efficiency improved as the number of parameters increased. Moreover, our models achieve the state-of-the-art performance on several datasets including DIOR-R, Postdam, and LoveDA.

Traditional analyses of gradient descent show that when the largest eigenvalue of the Hessian, also known as the sharpness $S(\theta)$, is bounded by $2/\eta$, training is "stable" and the training loss decreases monotonically. Recent works, however, have observed that this assumption does not hold when training modern neural networks with full batch or large batch gradient descent. Most recently, Cohen et al. (2021) observed two important phenomena. The first, dubbed progressive sharpening, is that the sharpness steadily increases throughout training until it reaches the instability cutoff $2/\eta$. The second, dubbed edge of stability, is that the sharpness hovers at $2/\eta$ for the remainder of training while the loss continues decreasing, albeit non-monotonically. We demonstrate that, far from being chaotic, the dynamics of gradient descent at the edge of stability can be captured by a cubic Taylor expansion: as the iterates diverge in direction of the top eigenvector of the Hessian due to instability, the cubic term in the local Taylor expansion of the loss function causes the curvature to decrease until stability is restored. This property, which we call self-stabilization, is a general property of gradient descent and explains its behavior at the edge of stability. A key consequence of self-stabilization is that gradient descent at the edge of stability implicitly follows projected gradient descent (PGD) under the constraint $S(\theta) \le 2/\eta$. Our analysis provides precise predictions for the loss, sharpness, and deviation from the PGD trajectory throughout training, which we verify both empirically in a number of standard settings and theoretically under mild conditions. Our analysis uncovers the mechanism for gradient descent's implicit bias towards stability.

Causal mediation analysis is widely used in health science research to evaluate the extent to which an intermediate variable explains an observed exposure-outcome relationship. However, the validity of analysis can be compromised when the exposure is measured with error, which is common in health science studies. This article investigates the impact of exposure measurement error on assessing mediation with a failure time outcome, where a Cox proportional hazard model is considered for the outcome. When the outcome is rare with no exposure-mediator interaction, we show that the unadjusted estimators of the natural indirect and direct effects can be biased into either direction, but the unadjusted estimator of the mediation proportion is approximately unbiased as long as measurement error is not large or the mediator-exposure association is not strong. We propose ordinary regression calibration and risk set regression calibration approaches to correct the exposure measurement error-induced bias in estimating mediation effects and to allow for an exposure-mediator interaction in the Cox outcome model. The proposed approaches require a validation study to characterize the measurement error process between the true exposure and its error-prone counterpart. We apply the proposed approaches to the Health Professionals Follow-up study to evaluate extent to which body mass index mediates the effect of vigorous physical activity on the risk of cardiovascular diseases, and assess the finite-sample properties of the proposed estimators via simulations.

By driving models to converge to flat minima, sharpness-aware learning algorithms (such as SAM) have shown the power to achieve state-of-the-art performances. However, these algorithms will generally incur one extra forward-backward propagation at each training iteration, which largely burdens the computation especially for scalable models. To this end, we propose a simple yet efficient training scheme, called Randomized Sharpness-Aware Training (RST). Optimizers in RST would perform a Bernoulli trial at each iteration to choose randomly from base algorithms (SGD) and sharpness-aware algorithms (SAM) with a probability arranged by a predefined scheduling function. Due to the mixture of base algorithms, the overall count of propagation pairs could be largely reduced. Also, we give theoretical analysis on the convergence of RST. Then, we empirically study the computation cost and effect of various types of scheduling functions, and give directions on setting appropriate scheduling functions. Further, we extend the RST to a general framework (G-RST), where we can adjust regularization degree on sharpness freely for any scheduling function. We show that G-RST can outperform SAM in most cases while saving 50\% extra computation cost.

Gaussian processes are widely used as priors for unknown functions in statistics and machine learning. To achieve computationally feasible inference for large datasets, a popular approach is the Vecchia approximation, which is an ordered conditional approximation of the data vector that implies a sparse Cholesky factor of the precision matrix. The ordering and sparsity pattern are typically determined based on Euclidean distance of the inputs or locations corresponding to the data points. Here, we propose instead to use a correlation-based distance metric, which implicitly applies the Vecchia approximation in a suitable transformed input space. The correlation-based algorithm can be carried out in quasilinear time in the size of the dataset, and so it can be applied even for iterative inference on unknown parameters in the correlation structure. The correlation-based approach has two advantages for complex settings: It can result in more accurate approximations, and it offers a simple, automatic strategy that can be applied to any covariance, even when Euclidean distance is not applicable. We demonstrate these advantages in several settings, including anisotropic, nonstationary, multivariate, and spatio-temporal processes. We also illustrate our method on multivariate spatio-temporal temperature fields produced by a regional climate model.

Responsible use of data is an indispensable part of any machine learning (ML) implementation. ML developers must carefully collect and curate their datasets, and document their provenance. They must also make sure to respect intellectual property rights, preserve individual privacy, and use data in an ethical way. Over the past few years, ML models have significantly increased in size and complexity. These models require a very large amount of data and compute capacity to train, to the extent that any defects in the training corpus cannot be trivially remedied by retraining the model from scratch. Despite sophisticated controls on training data and a significant amount of effort dedicated to ensuring that training corpora are properly composed, the sheer volume of data required for the models makes it challenging to manually inspect each datum comprising a training corpus. One potential fix for training corpus data defects is model disgorgement -- the elimination of not just the improperly used data, but also the effects of improperly used data on any component of an ML model. Model disgorgement techniques can be used to address a wide range of issues, such as reducing bias or toxicity, increasing fidelity, and ensuring responsible usage of intellectual property. In this paper, we introduce a taxonomy of possible disgorgement methods that are applicable to modern ML systems. In particular, we investigate the meaning of "removing the effects" of data in the trained model in a way that does not require retraining from scratch.

Artificial Intelligence (AI)-based models can help in diagnosing COVID-19 from lung CT scans and X-ray images; however, these models require large amounts of data for training and validation. Many researchers studied Generative Adversarial Networks (GANs) for producing synthetic lung CT scans and X-Ray images to improve the performance of AI-based models. It is not well explored how good GAN-based methods performed to generate reliable synthetic data. This work analyzes 43 published studies that reported GANs for synthetic data generation. Many of these studies suffered data bias, lack of reproducibility, and lack of feedback from the radiologists or other domain experts. A common issue in these studies is the unavailability of the source code, hindering reproducibility. The included studies reported rescaling of the input images to train the existing GANs architecture without providing clinical insights on how the rescaling was motivated. Finally, even though GAN-based methods have the potential for data augmentation and improving the training of AI-based models, these methods fall short in terms of their use in clinical practice. This paper highlights research hotspots in countering the data scarcity problem, identifies various issues as well as potentials, and provides recommendations to guide future research. These recommendations might be useful to improve acceptability for the GAN-based approaches for data augmentation as GANs for data augmentation are increasingly becoming popular in the AI and medical imaging research community.

Deep neural networks (DNNs) have become a proven and indispensable machine learning tool. As a black-box model, it remains difficult to diagnose what aspects of the model's input drive the decisions of a DNN. In countless real-world domains, from legislation and law enforcement to healthcare, such diagnosis is essential to ensure that DNN decisions are driven by aspects appropriate in the context of its use. The development of methods and studies enabling the explanation of a DNN's decisions has thus blossomed into an active, broad area of research. A practitioner wanting to study explainable deep learning may be intimidated by the plethora of orthogonal directions the field has taken. This complexity is further exacerbated by competing definitions of what it means ``to explain'' the actions of a DNN and to evaluate an approach's ``ability to explain''. This article offers a field guide to explore the space of explainable deep learning aimed at those uninitiated in the field. The field guide: i) Introduces three simple dimensions defining the space of foundational methods that contribute to explainable deep learning, ii) discusses the evaluations for model explanations, iii) places explainability in the context of other related deep learning research areas, and iv) finally elaborates on user-oriented explanation designing and potential future directions on explainable deep learning. We hope the guide is used as an easy-to-digest starting point for those just embarking on research in this field.

We describe ACE0, a lightweight platform for evaluating the suitability and viability of AI methods for behaviour discovery in multiagent simulations. Specifically, ACE0 was designed to explore AI methods for multi-agent simulations used in operations research studies related to new technologies such as autonomous aircraft. Simulation environments used in production are often high-fidelity, complex, require significant domain knowledge and as a result have high R&D costs. Minimal and lightweight simulation environments can help researchers and engineers evaluate the viability of new AI technologies for behaviour discovery in a more agile and potentially cost effective manner. In this paper we describe the motivation for the development of ACE0.We provide a technical overview of the system architecture, describe a case study of behaviour discovery in the aerospace domain, and provide a qualitative evaluation of the system. The evaluation includes a brief description of collaborative research projects with academic partners, exploring different AI behaviour discovery methods.

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