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All Emulators are Wrong, Many are Useful, and Some are More Useful Than Others: A Reproducible Comparison of Computer Model Surrogates

arXiv.org Machine Learning

Accurate and efficient surrogate modeling is essential for modern computational science, and there are a staggering number of emulation methods to choose from. With new methods being developed all the time, comparing the relative strengths and weaknesses of different methods remains a challenge due to inconsistent benchmarking practices and (sometimes) limited reproducibility and transparency. In this work, we present a large-scale, fully reproducible comparison of $29$ distinct emulators across $60$ canonical test functions and $40$ real emulation datasets. To facilitate rigorous, apples-to-apples comparisons, we introduce the R package \texttt{duqling}, which streamlines reproducible simulation studies using a consistent, simple syntax, and automatic internal scaling of inputs. This framework allows researchers to compare emulators in a unified environment and makes it possible to replicate or extend previous studies with minimal effort, even across different publications. Our results provide detailed empirical insight into the strengths and weaknesses of state-of-the-art emulators and offer guidance for both method developers and practitioners selecting a surrogate for new data. We discuss best practices for emulator comparison and highlight how \texttt{duqling} can accelerate research in emulator design and application.


Interpretable temporal fusion network of multi- and multi-class arrhythmia classification

arXiv.org Artificial Intelligence

Clinical decision support systems (CDSSs) have been widely utilized to support the decisions made by cardiologists when detecting and classifying arrhythmia from electrocardiograms. However, forming a CDSS for the arrhythmia classification task is challenging due to the varying lengths of arrhythmias. Although the onset time of arrhythmia varies, previously developed methods have not considered such conditions. Thus, we propose a framework that consists of (i) local and global extraction and (ii) local-global information fusion with attention to enable arrhythmia detection and classification within a constrained input length. The framework's performance was evaluated in terms of 10-class and 4-class arrhythmia detection, focusing on identifying the onset and ending point of arrhythmia episodes and their duration using the MIT-BIH arrhythmia database (MITDB) and the MIT-BIH atrial fibrillation database (AFDB). Duration, episode, and Dice score performances resulted in overall F1-scores of 96.45%, 82.05%, and 96.31% on the MITDB and 97.57%, 98.31%, and 97.45% on the AFDB, respectively. The results demonstrated statistically superior performance compared to those of the benchmark models. To assess the generalization capability of the proposed method, an MITDB-trained model and MIT-BIH malignant ventricular arrhythmia database-trained model were tested AFDB and MITDB, respectively. Superior performance was attained compared with that of a state-of-the-art model. The proposed method effectively captures both local and global information and dynamics without significant information loss. Consequently, arrhythmias can be detected with greater accuracy, and their occurrence times can be precisely determined, enabling the clinical field to develop more accurate treatment plans based on the proposed method.


Neuron with Steady Response Leads to Better Generalization

Neural Information Processing Systems

Because the deep learning models for the classification task always have a normalization operation (e.g., Softmax) to make the final unconstrained These authors contributed equally to the work. Work performed during the internship at MSRA. 36th Conference on Neural Information Processing Systems (NeurIPS 2022). Complexity Measure C will be a positive number in those local minima. Measure C will be 0. The Lemma is proven. C.1 Open Source Code We publish our code in Github (i.e., https://github.



Noisy Low Rank Column-wise Sensing

arXiv.org Artificial Intelligence

This letter studies the AltGDmin algorithm for solving the noisy low rank column-wise sensing (LRCS) problem. Our sample complexity guarantee improves upon the best existing one by a factor $\max(r, \log(1/\epsilon))/r$ where $r$ is the rank of the unknown matrix and $\epsilon$ is the final desired accuracy. A second contribution of this work is a detailed comparison of guarantees from all work that studies the exact same mathematical problem as LRCS, but refers to it by different names.


Doubly Robust Structure Identification from Temporal Data

arXiv.org Artificial Intelligence

Learning the causes of time-series data is a fundamental task in many applications, spanning from finance to earth sciences or bio-medical applications. Common approaches for this task are based on vector auto-regression, and they do not take into account unknown confounding between potential causes. However, in settings with many potential causes and noisy data, these approaches may be substantially biased. Furthermore, potential causes may be correlated in practical applications. Moreover, existing algorithms often do not work with cyclic data. To address these challenges, we propose a new doubly robust method for Structure Identification from Temporal Data ( SITD ). We provide theoretical guarantees, showing that our method asymptotically recovers the true underlying causal structure. Our analysis extends to cases where the potential causes have cycles and they may be confounded. We further perform extensive experiments to showcase the superior performance of our method.


SciRE-Solver: Accelerating Diffusion Models Sampling by Score-integrand Solver with Recursive Difference

arXiv.org Machine Learning

Diffusion models (DMs) have made significant progress in the fields of image, audio, and video generation. One downside of DMs is their slow iterative process. Recent algorithms for fast sampling are designed from the perspective of differential equations. However, in higher-order algorithms based on Taylor expansion, estimating the derivative of the score function becomes intractable due to the complexity of large-scale, well-trained neural networks. Driven by this motivation, in this work, we introduce the recursive difference (RD) method to calculate the derivative of the score function in the realm of DMs. Based on the RD method and the truncated Taylor expansion of score-integrand, we propose SciRE-Solver with the convergence order guarantee for accelerating sampling of DMs. To further investigate the effectiveness of the RD method, we also propose a variant named SciREI-Solver based on the RD method and exponential integrator. Our proposed sampling algorithms with RD method attain state-of-the-art (SOTA) FIDs in comparison to existing training-free sampling algorithms, across both discrete-time and continuous-time pre-trained DMs, under various number of score function evaluations (NFE). Remarkably, SciRE-Solver using a small NFEs demonstrates promising potential to surpass the FID achieved by some pre-trained models in their original papers using no fewer than $1000$ NFEs. For example, we reach SOTA value of $2.40$ FID with $100$ NFE for continuous-time DM and of $3.15$ FID with $84$ NFE for discrete-time DM on CIFAR-10, as well as of $2.17$ (2.02) FID with $18$ (50) NFE for discrete-time DM on CelebA 64$\times$64.


DOST -- Domain Obedient Self-supervised Training for Multi Label Classification with Noisy Labels

arXiv.org Artificial Intelligence

The enormous demand for annotated data brought forth by deep learning techniques has been accompanied by the problem of annotation noise. Although this issue has been widely discussed in machine learning literature, it has been relatively unexplored in the context of "multi-label classification" (MLC) tasks which feature more complicated kinds of noise. Additionally, when the domain in question has certain logical constraints, noisy annotations often exacerbate their violations, making such a system unacceptable to an expert. This paper studies the effect of label noise on domain rule violation incidents in the MLC task, and incorporates domain rules into our learning algorithm to mitigate the effect of noise. We propose the Domain Obedient Self-supervised Training (DOST) paradigm which not only makes deep learning models more aligned to domain rules, but also improves learning performance in key metrics and minimizes the effect of annotation noise. This novel approach uses domain guidance to detect offending annotations and deter rule-violating predictions in a self-supervised manner, thus making it more "data efficient" and domain compliant. Empirical studies, performed over two large scale multi-label classification datasets, demonstrate that our method results in improvement across the board, and often entirely counteracts the effect of noise.


2023 AAAI Tutorial: Advances in Neuro Symbolic Reasoning – Lab V2

#artificialintelligence

This resource page will be updated periodically prior to the event. Over the past five years, the community has made significant advances in neuro symbolic reasoning (NSR). These NSR frameworks are now capable of embedding prior knowledge in deep learning architectures, guiding the learning process with logical constraints, providing symbolic explainability, and using gradient-based approaches to learn logical statements. At this time, several approaches are seeing usage in various application areas. This tutorial is designed for researchers looking to understand the current landscape of NSR research as well as those looking to apply NSR research in areas such as natural language processing and verification.