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With the increasing amount of data available to scientists in disciplines as diverse as bioinformatics, physics, and remote sensing, scientific workflow systems are becoming increasingly important for composing and executing scalable data analysis pipelines. When writing such workflows, users need to specify the resources to be reserved for tasks so that sufficient resources are allocated on the target cluster infrastructure. Crucially, underestimating a task's memory requirements can result in task failures. Therefore, users often resort to overprovisioning, resulting in significant resource wastage and decreased throughput. In this paper, we propose a novel online method that uses monitoring time series data to predict task memory usage in order to reduce the memory wastage of scientific workflow tasks. Our method predicts a task's runtime, divides it into k equally-sized segments, and learns the peak memory value for each segment depending on the total file input size. We evaluate the prototype implementation of our method using workflows from the publicly available nf-core repository, showing an average memory wastage reduction of 29.48% compared to the best state-of-the-art approach.

In many real natural language processing application scenarios, practitioners not only aim to maximize predictive performance but also seek faithful explanations for the model predictions. Rationales and importance distribution given by feature attribution methods (FAs) provide insights into how different parts of the input contribute to a prediction. Previous studies have explored how different factors affect faithfulness, mainly in the context of monolingual English models. On the other hand, the differences in FA faithfulness between multilingual and monolingual models have yet to be explored. Our extensive experiments, covering five languages and five popular FAs, show that FA faithfulness varies between multilingual and monolingual models. We find that the larger the multilingual model, the less faithful the FAs are compared to its counterpart monolingual models.Our further analysis shows that the faithfulness disparity is potentially driven by the differences between model tokenizers. Our code is available: //github.com/casszhao/multilingual-faith.

Machine learning models can perform well on in-distribution data but often fail on biased subgroups that are underrepresented in the training data, hindering the robustness of models for reliable applications. Such subgroups are typically unknown due to the absence of subgroup labels. Discovering biased subgroups is the key to understanding models' failure modes and further improving models' robustness. Most previous works of subgroup discovery make an implicit assumption that models only underperform on a single biased subgroup, which does not hold on in-the-wild data where multiple biased subgroups exist. In this work, we propose Decomposition, Interpretation, and Mitigation (DIM), a novel method to address a more challenging but also more practical problem of discovering multiple biased subgroups in image classifiers. Our approach decomposes the image features into multiple components that represent multiple subgroups. This decomposition is achieved via a bilinear dimension reduction method, Partial Least Square (PLS), guided by useful supervision from the image classifier. We further interpret the semantic meaning of each subgroup component by generating natural language descriptions using vision-language foundation models. Finally, DIM mitigates multiple biased subgroups simultaneously via two strategies, including the data- and model-centric strategies. Extensive experiments on CIFAR-100 and Breeds datasets demonstrate the effectiveness of DIM in discovering and mitigating multiple biased subgroups. Furthermore, DIM uncovers the failure modes of the classifier on Hard ImageNet, showcasing its broader applicability to understanding model bias in image classifiers. The code is available at //github.com/ZhangAIPI/DIM.

Machine learning based solvers have garnered much attention in physical simulation and scientific computing, with a prominent example, physics-informed neural networks (PINNs). However, PINNs often struggle to solve high-frequency and multi-scale PDEs, which can be due to spectral bias during neural network training. To address this problem, we resort to the Gaussian process (GP) framework. To flexibly capture the dominant frequencies, we model the power spectrum of the PDE solution with a student $t$ mixture or Gaussian mixture. We apply the inverse Fourier transform to obtain the covariance function (by Wiener-Khinchin theorem). The covariance derived from the Gaussian mixture spectrum corresponds to the known spectral mixture kernel. Next, we estimate the mixture weights in the log domain, which we show is equivalent to placing a Jeffreys prior. It automatically induces sparsity, prunes excessive frequencies, and adjusts the remaining toward the ground truth. Third, to enable efficient and scalable computation on massive collocation points, which are critical to capture high frequencies, we place the collocation points on a grid, and multiply our covariance function at each input dimension. We use the GP conditional mean to predict the solution and its derivatives so as to fit the boundary condition and the equation itself. As a result, we can derive a Kronecker product structure in the covariance matrix. We use Kronecker product properties and multilinear algebra to promote computational efficiency and scalability, without low-rank approximations. We show the advantage of our method in systematic experiments. The code is released at \url{//github.com/xuangu-fang/Gaussian-Process-Slover-for-High-Freq-PDE}.

In offline reinforcement learning (RL), an RL agent learns to solve a task using only a fixed dataset of previously collected data. While offline RL has been successful in learning real-world robot control policies, it typically requires large amounts of expert-quality data to learn effective policies that generalize to out-of-distribution states. Unfortunately, such data is often difficult and expensive to acquire in real-world tasks. Several recent works have leveraged data augmentation (DA) to inexpensively generate additional data, but most DA works apply augmentations in a random fashion and ultimately produce highly suboptimal augmented experience. In this work, we propose Guided Data Augmentation (GuDA), a human-guided DA framework that generates expert-quality augmented data. The key insight behind GuDA is that while it may be difficult to demonstrate the sequence of actions required to produce expert data, a user can often easily characterize when an augmented trajectory segment represents progress toward task completion. Thus, a user can restrict the space of possible augmentations to automatically reject suboptimal augmented data. To extract a policy from GuDA, we use off-the-shelf offline reinforcement learning and behavior cloning algorithms. We evaluate GuDA on a physical robot soccer task as well as simulated D4RL navigation tasks, a simulated autonomous driving task, and a simulated soccer task. Empirically, GuDA enables learning given a small initial dataset of potentially suboptimal experience and outperforms a random DA strategy as well as a model-based DA strategy.

We extend the persistence algorithm, viewed as an algorithm computing the homology of a complex of free persistence or graded modules, to complexes of modules that are not free. We replace persistence modules by their presentations and develop an efficient algorithm to compute the homology of a complex of presentations. To deal with inputs that are not given in terms of presentations, we give an efficient algorithm to compute a presentation of a morphism of persistence modules. This allows us to compute persistent (co)homology of instances giving rise to complexes of non-free modules. Our methods lead to a new efficient algorithm for computing the persistent homology of simplicial towers and they enable efficient algorithms to compute the persistent homology of cosheaves over simplicial towers and cohomology of persistent sheaves on simplicial complexes. We also show that we can compute the cohomology of persistent sheaves over arbitrary finite posets by reducing the computation to a computation over simplicial complexes.

A growing trend involves integrating human knowledge into learning frameworks, leveraging subtle human feedback to refine AI models. Despite these advances, no comprehensive theoretical framework describing the specific conditions under which human comparisons improve the traditional supervised fine-tuning process has been developed. To bridge this gap, this paper studies the effective use of human comparisons to address limitations arising from noisy data and high-dimensional models. We propose a two-stage "Supervised Fine Tuning+Human Comparison" (SFT+HC) framework connecting machine learning with human feedback through a probabilistic bisection approach. The two-stage framework first learns low-dimensional representations from noisy-labeled data via an SFT procedure, and then uses human comparisons to improve the model alignment. To examine the efficacy of the alignment phase, we introduce a novel concept termed the "label-noise-to-comparison-accuracy" (LNCA) ratio. This paper theoretically identifies the conditions under which the "SFT+HC" framework outperforms pure SFT approach, leveraging this ratio to highlight the advantage of incorporating human evaluators in reducing sample complexity. We validate that the proposed conditions for the LNCA ratio are met in a case study conducted via an Amazon Mechanical Turk experiment.

The capability to generate simulation-ready garment models from 3D shapes of clothed humans will significantly enhance the interpretability of captured geometry of real garments, as well as their faithful reproduction in the virtual world. This will have notable impact on fields like shape capture in social VR, and virtual try-on in the fashion industry. To align with the garment modeling process standardized by the fashion industry as well as cloth simulation softwares, it is required to recover 2D patterns. This involves an inverse garment design problem, which is the focus of our work here: Starting with an arbitrary target garment geometry, our system estimates an animatable garment model by automatically adjusting its corresponding 2D template pattern, along with the material parameters of the physics-based simulation (PBS). Built upon a differentiable cloth simulator, the optimization process is directed towards minimizing the deviation of the simulated garment shape from the target geometry. Moreover, our produced patterns meet manufacturing requirements such as left-to-right-symmetry, making them suited for reverse garment fabrication. We validate our approach on examples of different garment types, and show that our method faithfully reproduces both the draped garment shape and the sewing pattern.

Pre-trained Language Models (PLMs) which are trained on large text corpus via self-supervised learning method, have yielded promising performance on various tasks in Natural Language Processing (NLP). However, though PLMs with huge parameters can effectively possess rich knowledge learned from massive training text and benefit downstream tasks at the fine-tuning stage, they still have some limitations such as poor reasoning ability due to the lack of external knowledge. Research has been dedicated to incorporating knowledge into PLMs to tackle these issues. In this paper, we present a comprehensive review of Knowledge-Enhanced Pre-trained Language Models (KE-PLMs) to provide a clear insight into this thriving field. We introduce appropriate taxonomies respectively for Natural Language Understanding (NLU) and Natural Language Generation (NLG) to highlight these two main tasks of NLP. For NLU, we divide the types of knowledge into four categories: linguistic knowledge, text knowledge, knowledge graph (KG), and rule knowledge. The KE-PLMs for NLG are categorized into KG-based and retrieval-based methods. Finally, we point out some promising future directions of KE-PLMs.

We introduce a multi-task setup of identifying and classifying entities, relations, and coreference clusters in scientific articles. We create SciERC, a dataset that includes annotations for all three tasks and develop a unified framework called Scientific Information Extractor (SciIE) for with shared span representations. The multi-task setup reduces cascading errors between tasks and leverages cross-sentence relations through coreference links. Experiments show that our multi-task model outperforms previous models in scientific information extraction without using any domain-specific features. We further show that the framework supports construction of a scientific knowledge graph, which we use to analyze information in scientific literature.