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Comparative analysis of scalar fields in scientific visualization often involves distance functions on topological abstractions. This paper focuses on the merge tree abstraction (representing the nesting of sub- or superlevel sets) and proposes the application of the unconstrained deformation-based edit distance. Previous approaches on merge trees often suffer from instability: small perturbations in the data can lead to large distances of the abstractions. While some existing methods can handle so-called vertical instability, the unconstrained deformation-based edit distance addresses both vertical and horizontal instabilities, also called saddle swaps. We establish the computational complexity as NP-complete, and provide an integer linear program formulation for computation. Experimental results on the TOSCA shape matching ensemble provide evidence for the stability of the proposed distance. We thereby showcase the potential of handling saddle swaps for comparison of scalar fields through merge trees.

Annotation of multimedia data by humans is time-consuming and costly, while reliable automatic generation of semantic metadata is a major challenge. We propose a framework to extract semantic metadata from automatically generated video captions. As metadata, we consider entities, the entities' properties, relations between entities, and the video category. We employ two state-of-the-art dense video captioning models with masked transformer (MT) and parallel decoding (PVDC) to generate captions for videos of the ActivityNet Captions dataset. Our experiments show that it is possible to extract entities, their properties, relations between entities, and the video category from the generated captions. We observe that the quality of the extracted information is mainly influenced by the quality of the event localization in the video as well as the performance of the event caption generation.

Data-driven approximations of ordinary differential equations offer a promising alternative to classical methods in discovering a dynamical system model, particularly in complex systems lacking explicit first principles. This paper focuses on a complex system whose dynamics is described with a system of ordinary differential equations, coupled via a network adjacency matrix. Numerous real-world systems, including financial, social, and neural systems, belong to this class of dynamical models. We propose essential elements for approximating such dynamical systems using neural networks, including necessary biases and an appropriate neural architecture. Emphasizing the differences from static supervised learning, we advocate for evaluating generalization beyond classical assumptions of statistical learning theory. To estimate confidence in prediction during inference time, we introduce a dedicated null model. By studying various complex network dynamics, we demonstrate the neural network's ability to approximate various dynamics, generalize across complex network structures, sizes, and statistical properties of inputs. Our comprehensive framework enables deep learning approximations of high-dimensional, non-linearly coupled complex dynamical systems.

This research introduces the Deep Operator Network (DeepONet) as a robust surrogate modeling method within the context of digital twin (DT) systems for nuclear engineering. With the increasing importance of nuclear energy as a carbon-neutral solution, adopting DT technology has become crucial to enhancing operational efficiencies, safety, and predictive capabilities in nuclear engineering applications. DeepONet exhibits remarkable prediction accuracy, outperforming traditional ML methods. Through extensive benchmarking and evaluation, this study showcases the scalability and computational efficiency of DeepONet in solving a challenging particle transport problem. By taking functions as input data and constructing the operator $G$ from training data, DeepONet can handle diverse and complex scenarios effectively. However, the application of DeepONet also reveals challenges related to optimal sensor placement and model evaluation, critical aspects of real-world implementation. Addressing these challenges will further enhance the method's practicality and reliability. Overall, DeepONet presents a promising and transformative tool for nuclear engineering research and applications. Its accurate prediction and computational efficiency capabilities can revolutionize DT systems, advancing nuclear engineering research. This study marks an important step towards harnessing the power of surrogate modeling techniques in critical engineering domains.

Since the introduction of DeepMimic [Peng et al. 2018], subsequent research has focused on expanding the repertoire of simulated motions across various scenarios. In this study, we propose an alternative approach for this goal, a deep reinforcement learning method based on the simulation of a single-rigid-body character. Using the centroidal dynamics model (CDM) to express the full-body character as a single rigid body (SRB) and training a policy to track a reference motion, we can obtain a policy that is capable of adapting to various unobserved environmental changes and controller transitions without requiring any additional learning. Due to the reduced dimension of state and action space, the learning process is sample-efficient. The final full-body motion is kinematically generated in a physically plausible way, based on the state of the simulated SRB character. The SRB simulation is formulated as a quadratic programming (QP) problem, and the policy outputs an action that allows the SRB character to follow the reference motion. We demonstrate that our policy, efficiently trained within 30 minutes on an ultraportable laptop, has the ability to cope with environments that have not been experienced during learning, such as running on uneven terrain or pushing a box, and transitions between learned policies, without any additional learning.

Electronic exams (e-exams) have the potential to substantially reduce the effort required for conducting an exam through automation. Yet, care must be taken to sacrifice neither task complexity nor constructive alignment nor grading fairness in favor of automation. To advance automation in the design and fair grading of (functional programming) e-exams, we introduce the following: A novel algorithm to check Proof Puzzles based on finding correct sequences of proof lines that improves fairness compared to an existing, edit distance based algorithm; an open-source static analysis tool to check source code for task relevant features by traversing the abstract syntax tree; a higher-level language and open-source tool to specify regular expressions that makes creating complex regular expressions less error-prone. Our findings are embedded in a complete experience report on transforming a paper exam to an e-exam. We evaluated the resulting e-exam by analyzing the degree of automation in the grading process, asking students for their opinion, and critically reviewing our own experiences. Almost all tasks can be graded automatically at least in part (correct solutions can almost always be detected as such), the students agree that an e-exam is a fitting examination format for the course but are split on how well they can express their thoughts compared to a paper exam, and examiners enjoy a more time-efficient grading process while the point distribution in the exam results was almost exactly the same compared to a paper exam.

Randomized Controlled Trials (RCTs) often adjust for baseline covariates in order to increase power. This technical note provides a short derivation of a simple rule of thumb for approximating the ratio of the power of an adjusted analysis to that of an unadjusted analysis. Specifically, if the unadjusted analysis is powered to approximately 80\%, then the ratio of the power of the adjusted analysis to the power of the unadjusted analysis is approximately $1 + \frac{1}{2} R^2$, where $R$ is the correlation between the baseline covariate and the outcome.

Knowledge graph reasoning (KGR), aiming to deduce new facts from existing facts based on mined logic rules underlying knowledge graphs (KGs), has become a fast-growing research direction. It has been proven to significantly benefit the usage of KGs in many AI applications, such as question answering and recommendation systems, etc. According to the graph types, the existing KGR models can be roughly divided into three categories, \textit{i.e.,} static models, temporal models, and multi-modal models. The early works in this domain mainly focus on static KGR and tend to directly apply general knowledge graph embedding models to the reasoning task. However, these models are not suitable for more complex but practical tasks, such as inductive static KGR, temporal KGR, and multi-modal KGR. To this end, multiple works have been developed recently, but no survey papers and open-source repositories comprehensively summarize and discuss models in this important direction. To fill the gap, we conduct a survey for knowledge graph reasoning tracing from static to temporal and then to multi-modal KGs. Concretely, the preliminaries, summaries of KGR models, and typical datasets are introduced and discussed consequently. Moreover, we discuss the challenges and potential opportunities. The corresponding open-source repository is shared on GitHub: //github.com/LIANGKE23/Awesome-Knowledge-Graph-Reasoning.

Graph Neural Networks (GNNs) have received considerable attention on graph-structured data learning for a wide variety of tasks. The well-designed propagation mechanism which has been demonstrated effective is the most fundamental part of GNNs. Although most of GNNs basically follow a message passing manner, litter effort has been made to discover and analyze their essential relations. In this paper, we establish a surprising connection between different propagation mechanisms with a unified optimization problem, showing that despite the proliferation of various GNNs, in fact, their proposed propagation mechanisms are the optimal solution optimizing a feature fitting function over a wide class of graph kernels with a graph regularization term. Our proposed unified optimization framework, summarizing the commonalities between several of the most representative GNNs, not only provides a macroscopic view on surveying the relations between different GNNs, but also further opens up new opportunities for flexibly designing new GNNs. With the proposed framework, we discover that existing works usually utilize naive graph convolutional kernels for feature fitting function, and we further develop two novel objective functions considering adjustable graph kernels showing low-pass or high-pass filtering capabilities respectively. Moreover, we provide the convergence proofs and expressive power comparisons for the proposed models. Extensive experiments on benchmark datasets clearly show that the proposed GNNs not only outperform the state-of-the-art methods but also have good ability to alleviate over-smoothing, and further verify the feasibility for designing GNNs with our unified optimization framework.

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.