由于评估成本函数的费用（例如，使用计算流体动力学）来确定表面控制所需的性能，因此通常不可能找到流体动力或空气动力表面的最佳设计。此外，由于强加的几何限制，常规的参数化方法和用户偏见，设计空间本身的固有局限性可以限制所选设计空间内设计的{\ IT}，而不管传统的优化方法还是较新的，数据驱动的方法使用机器学习的设计算法用于搜索设计空间。我们提出了2条攻击来解决这些困难：我们提出了（1）一种方法，可以使用变形创建设计空间，我们称之为{\ it by-morphing}（dbm）; （2）一种优化算法，用于搜索使用新型贝叶斯优化（BO）策略的空间，我们称之为{\ it混合变量，多目标贝叶斯优化}（MixMobo）。我们采用这种形状优化策略来最大程度地提高基本动力学涡轮的功率输出。在同时应用这两种策略，我们证明我们可以创建一个新颖的，几何毫无约束的设计空间和轮毂形状的设计空间，然后通过{\ it最低}成本函数的数量来同时优化它们。我们的框架是多功能的，可以应用于各种流体问题的形状优化。

在工程和科学的许多领域中，优化多个混合变量，昂贵的黑盒问题的多个非首选目标很重要。这些问题的昂贵，嘈杂，黑盒的性质使它们成为贝叶斯优化（BO）的理想候选者。然而，由于BO的基础平稳的高斯工艺替代模型，混合变量和多目标问题是一个挑战。当前的多目标BO算法无法处理可混合变量的问题。我们提出了MixMobo，这是第一个用于此类问题的混合变量，多目标贝叶斯优化框架。使用MixMobo，可以有效地找到用于多目标，混合变量设计空间的最佳帕累托叶，同时确保多样化的解决方案。该方法足够灵活地结合了不同的内核和采集功能，包括其他作者为混合变量或多目标问题开发的函数。我们还提出了Hedgemo，这是一种修改后的对冲策略，该策略使用采集功能的投资组合来解决多目标问题。我们提出了新的采集功能，SMC。我们的结果表明，MixMobo在合成问题上针对其他可混合变量算法表现良好。我们将MixMobo应用于架构材料的现实世界设计，并表明我们的最佳设计是经过实验制造和验证的，其应变能密度$ 10^4 $ $ 10^4 $ $倍。

Most Graph Neural Networks follow the message-passing paradigm, assuming the observed structure depicts the ground-truth node relationships. However, this fundamental assumption cannot always be satisfied, as real-world graphs are always incomplete, noisy, or redundant. How to reveal the inherent graph structure in a unified way remains under-explored. We proposed PRI-GSL, a Graph Structure Learning framework guided by the Principle of Relevant Information, providing a simple and unified framework for identifying the self-organization and revealing the hidden structure. PRI-GSL learns a structure that contains the most relevant yet least redundant information quantified by von Neumann entropy and Quantum Jensen-Shannon divergence. PRI-GSL incorporates the evolution of quantum continuous walk with graph wavelets to encode node structural roles, showing in which way the nodes interplay and self-organize with the graph structure. Extensive experiments demonstrate the superior effectiveness and robustness of PRI-GSL.

High-utility sequential pattern mining (HUSPM) has emerged as an important topic due to its wide application and considerable popularity. However, due to the combinatorial explosion of the search space when the HUSPM problem encounters a low utility threshold or large-scale data, it may be time-consuming and memory-costly to address the HUSPM problem. Several algorithms have been proposed for addressing this problem, but they still cost a lot in terms of running time and memory usage. In this paper, to further solve this problem efficiently, we design a compact structure called sequence projection (seqPro) and propose an efficient algorithm, namely discovering high-utility sequential patterns with the seqPro structure (HUSP-SP). HUSP-SP utilizes the compact seq-array to store the necessary information in a sequence database. The seqPro structure is designed to efficiently calculate candidate patterns' utilities and upper bound values. Furthermore, a new upper bound on utility, namely tighter reduced sequence utility (TRSU) and two pruning strategies in search space, are utilized to improve the mining performance of HUSP-SP. Experimental results on both synthetic and real-life datasets show that HUSP-SP can significantly outperform the state-of-the-art algorithms in terms of running time, memory usage, search space pruning efficiency, and scalability.

Large language models (LLMs) have demonstrated impressive capabilities in natural language understanding and generation, but the quality bar for medical and clinical applications is high. Today, attempts to assess models' clinical knowledge typically rely on automated evaluations on limited benchmarks. There is no standard to evaluate model predictions and reasoning across a breadth of tasks. To address this, we present MultiMedQA, a benchmark combining six existing open question answering datasets spanning professional medical exams, research, and consumer queries; and HealthSearchQA, a new free-response dataset of medical questions searched online. We propose a framework for human evaluation of model answers along multiple axes including factuality, precision, possible harm, and bias. In addition, we evaluate PaLM (a 540-billion parameter LLM) and its instruction-tuned variant, Flan-PaLM, on MultiMedQA. Using a combination of prompting strategies, Flan-PaLM achieves state-of-the-art accuracy on every MultiMedQA multiple-choice dataset (MedQA, MedMCQA, PubMedQA, MMLU clinical topics), including 67.6% accuracy on MedQA (US Medical License Exam questions), surpassing prior state-of-the-art by over 17%. However, human evaluation reveals key gaps in Flan-PaLM responses. To resolve this we introduce instruction prompt tuning, a parameter-efficient approach for aligning LLMs to new domains using a few exemplars. The resulting model, Med-PaLM, performs encouragingly, but remains inferior to clinicians. We show that comprehension, recall of knowledge, and medical reasoning improve with model scale and instruction prompt tuning, suggesting the potential utility of LLMs in medicine. Our human evaluations reveal important limitations of today's models, reinforcing the importance of both evaluation frameworks and method development in creating safe, helpful LLM models for clinical applications.

The discovery of utility-driven patterns is a useful and difficult research topic. It can extract significant and interesting information from specific and varied databases, increasing the value of the services provided. In practice, the measure of utility is often used to demonstrate the importance, profit, or risk of an object or a pattern. In the database, although utility is a flexible criterion for each pattern, it is a more absolute criterion due to the neglect of utility sharing. This leads to the derived patterns only exploring partial and local knowledge from a database. Utility occupancy is a recently proposed model that considers the problem of mining with high utility but low occupancy. However, existing studies are concentrated on itemsets that do not reveal the temporal relationship of object occurrences. Therefore, this paper towards sequence utility maximization. We first define utility occupancy on sequence data and raise the problem of High Utility-Occupancy Sequential Pattern Mining (HUOSPM). Three dimensions, including frequency, utility, and occupancy, are comprehensively evaluated in HUOSPM. An algorithm called Sequence Utility Maximization with Utility occupancy measure (SUMU) is proposed. Furthermore, two data structures for storing related information about a pattern, Utility-Occupancy-List-Chain (UOL-Chain) and Utility-Occupancy-Table (UO-Table) with six associated upper bounds, are designed to improve efficiency. Empirical experiments are carried out to evaluate the novel algorithm's efficiency and effectiveness. The influence of different upper bounds and pruning strategies is analyzed and discussed. The comprehensive results suggest that the work of our algorithm is intelligent and effective.

The findable, accessible, interoperable, and reusable (FAIR) data principles have provided a framework for examining, evaluating, and improving how we share data with the aim of facilitating scientific discovery. Efforts have been made to generalize these principles to research software and other digital products. Artificial intelligence (AI) models -- algorithms that have been trained on data rather than explicitly programmed -- are an important target for this because of the ever-increasing pace with which AI is transforming scientific and engineering domains. In this paper, we propose a practical definition of FAIR principles for AI models and create a FAIR AI project template that promotes adherence to these principles. We demonstrate how to implement these principles using a concrete example from experimental high energy physics: a graph neural network for identifying Higgs bosons decaying to bottom quarks. We study the robustness of these FAIR AI models and their portability across hardware architectures and software frameworks, and report new insights on the interpretability of AI predictions by studying the interplay between FAIR datasets and AI models. Enabled by publishing FAIR AI models, these studies pave the way toward reliable and automated AI-driven scientific discovery.

We introduce Patch Aligned Contrastive Learning (PACL), a modified compatibility function for CLIP's contrastive loss, intending to train an alignment between the patch tokens of the vision encoder and the CLS token of the text encoder. With such an alignment, a model can identify regions of an image corresponding to a given text input, and therefore transfer seamlessly to the task of open vocabulary semantic segmentation without requiring any segmentation annotations during training. Using pre-trained CLIP encoders with PACL, we are able to set the state-of-the-art on the task of open vocabulary zero-shot segmentation on 4 different segmentation benchmarks: Pascal VOC, Pascal Context, COCO Stuff and ADE20K. Furthermore, we show that PACL is also applicable to image-level predictions and when used with a CLIP backbone, provides a general improvement in zero-shot classification accuracy compared to CLIP, across a suite of 12 image classification datasets.

Contrastive learning methods based on InfoNCE loss are popular in node representation learning tasks on graph-structured data. However, its reliance on data augmentation and its quadratic computational complexity might lead to inconsistency and inefficiency problems. To mitigate these limitations, in this paper, we introduce a simple yet effective contrastive model named Localized Graph Contrastive Learning (Local-GCL in short). Local-GCL consists of two key designs: 1) We fabricate the positive examples for each node directly using its first-order neighbors, which frees our method from the reliance on carefully-designed graph augmentations; 2) To improve the efficiency of contrastive learning on graphs, we devise a kernelized contrastive loss, which could be approximately computed in linear time and space complexity with respect to the graph size. We provide theoretical analysis to justify the effectiveness and rationality of the proposed methods. Experiments on various datasets with different scales and properties demonstrate that in spite of its simplicity, Local-GCL achieves quite competitive performance in self-supervised node representation learning tasks on graphs with various scales and properties.

Many NLP tasks can be regarded as a selection problem from a set of options, such as classification tasks, multi-choice question answering, etc. Textual entailment (TE) has been shown as the state-of-the-art (SOTA) approach to dealing with those selection problems. TE treats input texts as premises (P), options as hypotheses (H), then handles the selection problem by modeling (P, H) pairwise. Two limitations: first, the pairwise modeling is unaware of other options, which is less intuitive since humans often determine the best options by comparing competing candidates; second, the inference process of pairwise TE is time-consuming, especially when the option space is large. To deal with the two issues, this work first proposes a contextualized TE model (Context-TE) by appending other k options as the context of the current (P, H) modeling. Context-TE is able to learn more reliable decision for the H since it considers various context. Second, we speed up Context-TE by coming up with Parallel-TE, which learns the decisions of multiple options simultaneously. Parallel-TE significantly improves the inference speed while keeping comparable performance with Context-TE. Our methods are evaluated on three tasks (ultra-fine entity typing, intent detection and multi-choice QA) that are typical selection problems with different sizes of options. Experiments show our models set new SOTA performance; particularly, Parallel-TE is faster than the pairwise TE by k times in inference. Our code is publicly available at https://github.com/jiangshdd/LearningToSelect.