Performance Comparison of Design Optimization and Deep Learning-based Inverse Design

Surrogate model-based optimization has been increasingly used in the field of engineering design. It involves creating a surrogate model with objective functions or constraints based on the data obtained from simulations or real-world experiments, and then finding the optimal solution from the model using numerical optimization methods. Recent advancements in deep learning-based inverse design methods have made it possible to generate real-time optimal solutions for engineering design problems, eliminating the requirement for iterative optimization processes. Nevertheless, no comprehensive study has yet closely examined the specific advantages and disadvantages of this novel approach compared to the traditional design optimization method. The objective of this paper is to compare the performance of traditional design optimization methods with deep learning-based inverse design methods by employing benchmark problems across various scenarios. Based on the findings of this study, we provide guidelines that can be taken into account for the future utilization of deep learning-based inverse design. It is anticipated that these guidelines will enhance the practical applicability of this approach to real engineering design problems.

BubbleML: A Multi-Physics Dataset and Benchmarks for Machine Learning

In the field of phase change phenomena, the lack of accessible and diverse datasets suitable for machine learning (ML) training poses a significant challenge. Existing experimental datasets are often restricted, with limited availability and sparse ground truth data, impeding our understanding of this complex multi-physics phenomena. To bridge this gap, we present the BubbleML Dataset(https://github.com/HPCForge/BubbleML) which leverages physics-driven simulations to provide accurate ground truth information for various boiling scenarios, encompassing nucleate pool boiling, flow boiling, and sub-cooled boiling. This extensive dataset covers a wide range of parameters, including varying gravity conditions, flow rates, sub-cooling levels, and wall superheat, comprising 51 simulations. BubbleML is validated against experimental observations and trends, establishing it as an invaluable resource for ML research. Furthermore, we showcase its potential to facilitate exploration of diverse downstream tasks by introducing two benchmarks: (a) optical flow analysis to capture bubble dynamics, and (b) operator networks for learning temperature dynamics. The BubbleML dataset and its benchmarks serve as a catalyst for advancements in ML-driven research on multi-physics phase change phenomena, enabling the development and comparison of state-of-the-art techniques and models.

Learning Joint Representation of Human Motion and Language

In this work, we present MoLang (a Motion-Language connecting model) for learning joint representation of human motion and language, leveraging both unpaired and paired datasets of motion and language modalities. To this end, we propose a motion-language model with contrastive learning, empowering our model to learn better generalizable representations of the human motion domain. Empirical results show that our model learns strong representations of human motion data through navigating language modality. Our proposed method is able to perform both action recognition and motion retrieval tasks with a single model where it outperforms state-of-the-art approaches on a number of action recognition benchmarks.

Simulation-guided Beam Search for Neural Combinatorial Optimization

Neural approaches for combinatorial optimization (CO) equip a learning mechanism to discover powerful heuristics for solving complex real-world problems. While neural approaches capable of high-quality solutions in a single shot are emerging, state-of-the-art approaches are often unable to take full advantage of the solving time available to them. In contrast, hand-crafted heuristics perform highly effective search well and exploit the computation time given to them, but contain heuristics that are difficult to adapt to a dataset being solved. With the goal of providing a powerful search procedure to neural CO approaches, we propose simulation-guided beam search (SGBS), which examines candidate solutions within a fixed-width tree search that both a neural net-learned policy and a simulation (rollout) identify as promising. We further hybridize SGBS with efficient active search (EAS), where SGBS enhances the quality of solutions backpropagated in EAS, and EAS improves the quality of the policy used in SGBS. We evaluate our methods on well-known CO benchmarks and show that SGBS significantly improves the quality of the solutions found under reasonable runtime assumptions.

Conditional Motion In-betweening

Motion in-betweening (MIB) is a process of generating intermediate skeletal movement between the given start and target poses while preserving the naturalness of the motion, such as periodic footstep motion while walking. Although state-of-the-art MIB methods are capable of producing plausible motions given sparse key-poses, they often lack the controllability to generate motions satisfying the semantic contexts required in practical applications. We focus on the method that can handle pose or semantic conditioned MIB tasks using a unified model. We also present a motion augmentation method to improve the quality of pose-conditioned motion generation via defining a distribution over smooth trajectories. Our proposed method outperforms the existing state-of-the-art MIB method in pose prediction errors while providing additional controllability.

VaB-AL: Incorporating Class Imbalance and Difficulty with Variational Bayes for Active Learning

Active Learning for discriminative models has largely been studied with the focus on individual samples, with less emphasis on how classes are distributed or which classes are hard to deal with. In this work, we show that this is harmful. We propose a method based on the Bayes' rule, that can naturally incorporate class imbalance into the Active Learning framework. We derive that three terms should be considered together when estimating the probability of a classifier making a mistake for a given sample; i) probability of mislabelling a class, ii) likelihood of the data given a predicted class, and iii) the prior probability on the abundance of a predicted class. Implementing these terms requires a generative model and an intractable likelihood estimation. Therefore, we train a Variational Auto Encoder (VAE) for this purpose. To further tie the VAE with the classifier and facilitate VAE training, we use the classifiers' deep feature representations as input to the VAE. By considering all three probabilities, among them especially the data imbalance, we can substantially improve the potential of existing methods under limited data budget. We show that our method can be applied to classification tasks on multiple different datasets -- including one that is a real-world dataset with heavy data imbalance -- significantly outperforming the state of the art.

Summary Level Training of Sentence Rewriting for Abstractive Summarization

As an attempt to combine extractive and abstractive summarization, Sentence Rewriting models adopt the strategy of extracting salient sentences from a document first and then paraphrasing the selected ones to generate a summary. However, the existing models in this framework mostly rely on sentence-level rewards or suboptimal labels, causing a mismatch between a training objective and evaluation metric. In this paper, we present a novel training signal that directly maximizes summary-level ROUGE scores through reinforcement learning. In addition, we incorporate BERT into our model, making good use of its ability on natural language understanding. In extensive experiments, we show that a combination of our proposed model and training procedure obtains new state-of-the-art performance on both CNN/Daily Mail and New York Times datasets. We also demonstrate that it generalizes better on DUC-2002 test set.

The Impact of Automatic Pre-annotation in Clinical Note Data Element Extraction - the CLEAN Tool

Objective. Annotation is expensive but essential for clinical note review and clinical natural language processing (cNLP). However, the extent to which computer-generated pre-annotation is beneficial to human annotation is still an open question. Our study introduces CLEAN (CLinical note rEview and ANnotation), a pre-annotation-based cNLP annotation system to improve clinical note annotation of data elements, and comprehensively compares CLEAN with the widely-used annotation system Brat Rapid Annotation Tool (BRAT). Materials and Methods. CLEAN includes an ensemble pipeline (CLEAN-EP) with a newly developed annotation tool (CLEAN-AT). A domain expert and a novice user/annotator participated in a comparative usability test by tagging 87 data elements related to Congestive Heart Failure (CHF) and Kawasaki Disease (KD) cohorts in 84 public notes. Results. CLEAN achieved higher note-level F1-score (0.896) over BRAT (0.820), with significant difference in correctness (P-value < 0.001), and the mostly related factor being system/software (P-value < 0.001). No significant difference (P-value 0.188) in annotation time was observed between CLEAN (7.262 minutes/note) and BRAT (8.286 minutes/note). The difference was mostly associated with note length (P-value < 0.001) and system/software (P-value 0.013). The expert reported CLEAN to be useful/satisfactory, while the novice reported slight improvements. Discussion. CLEAN improves the correctness of annotation and increases usefulness/satisfaction with the same level of efficiency. Limitations include untested impact of pre-annotation correctness rate, small sample size, small user size, and restrictedly validated gold standard. Conclusion. CLEAN with pre-annotation can be beneficial for an expert to deal with complex annotation tasks involving numerous and diverse target data elements.