Generative AI and Process Systems Engineering: The Next Frontier

This article explores how emerging generative artificial intelligence (GenAI) models, such as large language models (LLMs), can enhance solution methodologies within process systems engineering (PSE). These cutting-edge GenAI models, particularly foundation models (FMs), which are pre-trained on extensive, general-purpose datasets, offer versatile adaptability for a broad range of tasks, including responding to queries, image generation, and complex decision-making. Given the close relationship between advancements in PSE and developments in computing and systems technologies, exploring the synergy between GenAI and PSE is essential. We begin our discussion with a compact overview of both classic and emerging GenAI models, including FMs, and then dive into their applications within key PSE domains: synthesis and design, optimization and integration, and process monitoring and control. In each domain, we explore how GenAI models could potentially advance PSE methodologies, providing insights and prospects for each area. Furthermore, the article identifies and discusses potential challenges in fully leveraging GenAI within PSE, including multiscale modeling, data requirements, evaluation metrics and benchmarks, and trust and safety, thereby deepening the discourse on effective GenAI integration into systems analysis, design, optimization, operations, monitoring, and control. This paper provides a guide for future research focused on the applications of emerging GenAI in PSE.

NYCTALE: Neuro-Evidence Transformer for Adaptive and Personalized Lung Nodule Invasiveness Prediction

Drawing inspiration from the primate brain's intriguing evidence accumulation process, and guided by models from cognitive psychology and neuroscience, the paper introduces the NYCTALE framework, a neuro-inspired and evidence accumulation-based Transformer architecture. The proposed neuro-inspired NYCTALE offers a novel pathway in the domain of Personalized Medicine (PM) for lung cancer diagnosis. In nature, Nyctales are small owls known for their nocturnal behavior, hunting primarily during the darkness of night. The NYCTALE operates in a similarly vigilant manner, i.e., processing data in an evidence-based fashion and making predictions dynamically/adaptively. Distinct from conventional Computed Tomography (CT)-based Deep Learning (DL) models, the NYCTALE performs predictions only when sufficient amount of evidence is accumulated. In other words, instead of processing all or a pre-defined subset of CT slices, for each person, slices are provided one at a time. The NYCTALE framework then computes an evidence vector associated with contribution of each new CT image. A decision is made once the total accumulated evidence surpasses a specific threshold. Preliminary experimental analyses conducted using a challenging in-house dataset comprising 114 subjects. The results are noteworthy, suggesting that NYCTALE outperforms the benchmark accuracy even with approximately 60% less training data on this demanding and small dataset.

LLMs as Bridges: Reformulating Grounded Multimodal Named Entity Recognition

Grounded Multimodal Named Entity Recognition (GMNER) is a nascent multimodal task that aims to identify named entities, entity types and their corresponding visual regions. GMNER task exhibits two challenging properties: 1) The weak correlation between image-text pairs in social media results in a significant portion of named entities being ungroundable. 2) There exists a distinction between coarse-grained referring expressions commonly used in similar tasks (e.g., phrase localization, referring expression comprehension) and fine-grained named entities. In this paper, we propose RiVEG, a unified framework that reformulates GMNER into a joint MNER-VE-VG task by leveraging large language models (LLMs) as a connecting bridge. This reformulation brings two benefits: 1) It maintains the optimal MNER performance and eliminates the need for employing object detection methods to pre-extract regional features, thereby naturally addressing two major limitations of existing GMNER methods. 2) The introduction of entity expansion expression and Visual Entailment (VE) Module unifies Visual Grounding (VG) and Entity Grounding (EG). It enables RiVEG to effortlessly inherit the Visual Entailment and Visual Grounding capabilities of any current or prospective multimodal pretraining models. Extensive experiments demonstrate that RiVEG outperforms state-of-the-art methods on the existing GMNER dataset and achieves absolute leads of 10.65%, 6.21%, and 8.83% in all three subtasks.

RoTIR: Rotation-Equivariant Network and Transformers for Fish Scale Image Registration

Image registration is an essential process for aligning features of interest from multiple images. With the recent development of deep learning techniques, image registration approaches have advanced to a new level. In this work, we present 'Rotation-Equivariant network and Transformers for Image Registration' (RoTIR), a deep-learning-based method for the alignment of fish scale images captured by light microscopy. This approach overcomes the challenge of arbitrary rotation and translation detection, as well as the absence of ground truth data. We employ feature-matching approaches based on Transformers and general E(2)-equivariant steerable CNNs for model creation. Besides, an artificial training dataset is employed for semi-supervised learning. Results show RoTIR successfully achieves the goal of fish scale image registration.

Learned Image resizing with efficient training (LRET) facilitates improved performance of large-scale digital histopathology image classification models

Histologic examination plays a crucial role in oncology research and diagnostics. The adoption of digital scanning of whole slide images (WSI) has created an opportunity to leverage deep learning-based image classification methods to enhance diagnosis and risk stratification. Technical limitations of current approaches to training deep convolutional neural networks (DCNN) result in suboptimal model performance and make training and deployment of comprehensive classification models unobtainable. In this study, we introduce a novel approach that addresses the main limitations of traditional histopathology classification model training. Our method, termed Learned Resizing with Efficient Training (LRET), couples efficient training techniques with image resizing to facilitate seamless integration of larger histology image patches into state-of-the-art classification models while preserving important structural information. We used the LRET method coupled with two distinct resizing techniques to train three diverse histology image datasets using multiple diverse DCNN architectures. Our findings demonstrate a significant enhancement in classification performance and training efficiency. Across the spectrum of experiments, LRET consistently outperforms existing methods, yielding a substantial improvement of 15-28% in accuracy for a large-scale, multiclass tumor classification task consisting of 74 distinct brain tumor types. LRET not only elevates classification accuracy but also substantially reduces training times, unlocking the potential for faster model development and iteration. The implications of this work extend to broader applications within medical imaging and beyond, where efficient integration of high-resolution images into deep learning pipelines is paramount for driving advancements in research and clinical practice.

A novel spatial-frequency domain network for zero-shot incremental learning

Zero-shot incremental learning aims to enable the model to generalize to new classes without forgetting previously learned classes. However, the semantic gap between old and new sample classes can lead to catastrophic forgetting. Additionally, existing algorithms lack capturing significant information from each sample image domain, impairing models' classification performance. Therefore, this paper proposes a novel Spatial-Frequency Domain Network (SFDNet) which contains a Spatial-Frequency Feature Extraction (SFFE) module and Attention Feature Alignment (AFA) module to improve the Zero-Shot Translation for Class Incremental algorithm. Firstly, SFFE module is designed which contains a dual attention mechanism for obtaining salient spatial-frequency feature information. Secondly, a novel feature fusion module is conducted for obtaining fused spatial-frequency domain features. Thirdly, the Nearest Class Mean classifier is utilized to select the most suitable category. Finally, iteration between tasks is performed using the Zero-Shot Translation model. The proposed SFDNet has the ability to effectively extract spatial-frequency feature representation from input images, improve the accuracy of image classification, and fundamentally alleviate catastrophic forgetting. Extensive experiments on the CUB 200-2011 and CIFAR100 datasets demonstrate that our proposed algorithm outperforms state-of-the-art incremental learning algorithms.

GRASP: GRAph-Structured Pyramidal Whole Slide Image Representation

Cancer subtyping is one of the most challenging tasks in digital pathology, where Multiple Instance Learning (MIL) by processing gigapixel whole slide images (WSIs) has been in the spotlight of recent research. However, MIL approaches do not take advantage of inter- and intra-magnification information contained in WSIs. In this work, we present GRASP, a novel graph-structured multi-magnification framework for processing WSIs in digital pathology. Our approach is designed to dynamically emulate the pathologist's behavior in handling WSIs and benefits from the hierarchical structure of WSIs. GRASP, which introduces a convergence-based node aggregation instead of traditional pooling mechanisms, outperforms state-of-the-art methods over two distinct cancer datasets by a margin of up to 10% balanced accuracy, while being 7 times smaller than the closest-performing state-of-the-art model in terms of the number of parameters. Our results show that GRASP is dynamic in finding and consulting with different magnifications for subtyping cancers and is reliable and stable across different hyperparameters. The model's behavior has been evaluated by two expert pathologists confirming the interpretability of the model's dynamic. We also provide a theoretical foundation, along with empirical evidence, for our work, explaining how GRASP interacts with different magnifications and nodes in the graph to make predictions. We believe that the strong characteristics yet simple structure of GRASP will encourage the development of interpretable, structure-based designs for WSI representation in digital pathology. Furthermore, we publish two large graph datasets of rare Ovarian and Bladder cancers to contribute to the field.

Diversified Ensembling: An Experiment in Crowdsourced Machine Learning

Crowdsourced machine learning on competition platforms such as Kaggle is a popular and often effective method for generating accurate models. Typically, teams vie for the most accurate model, as measured by overall error on a holdout set, and it is common towards the end of such competitions for teams at the top of the leaderboard to ensemble or average their models outside the platform mechanism to get the final, best global model. In arXiv:2201.10408, the authors developed an alternative crowdsourcing framework in the context of fair machine learning, in order to integrate community feedback into models when subgroup unfairness is present and identifiable. There, unlike in classical crowdsourced ML, participants deliberately specialize their efforts by working on subproblems, such as demographic subgroups in the service of fairness. Here, we take a broader perspective on this work: we note that within this framework, participants may both specialize in the service of fairness and simply to cater to their particular expertise (e.g., focusing on identifying bird species in an image classification task). Unlike traditional crowdsourcing, this allows for the diversification of participants' efforts and may provide a participation mechanism to a larger range of individuals (e.g. a machine learning novice who has insight into a specific fairness concern). We present the first medium-scale experimental evaluation of this framework, with 46 participating teams attempting to generate models to predict income from American Community Survey data. We provide an empirical analysis of teams' approaches, and discuss the novel system architecture we developed. From here, we give concrete guidance for how best to deploy such a framework.

Improving fine-grained understanding in image-text pre-training

We introduce SPARse Fine-grained Contrastive Alignment (SPARC), a simple method for pretraining more fine-grained multimodal representations from image-text pairs. Given that multiple image patches often correspond to single words, we propose to learn a grouping of image patches for every token in the caption. To achieve this, we use a sparse similarity metric between image patches and language tokens and compute for each token a language-grouped vision embedding as the weighted average of patches. The token and language-grouped vision embeddings are then contrasted through a fine-grained sequence-wise loss that only depends on individual samples and does not require other batch samples as negatives. This enables more detailed information to be learned in a computationally inexpensive manner. SPARC combines this fine-grained loss with a contrastive loss between global image and text embeddings to learn representations that simultaneously encode global and local information. We thoroughly evaluate our proposed method and show improved performance over competing approaches both on image-level tasks relying on coarse-grained information, e.g. classification, as well as region-level tasks relying on fine-grained information, e.g. retrieval, object detection, and segmentation. Moreover, SPARC improves model faithfulness and captioning in foundational vision-language models.

UAV-Rain1k: A Benchmark for Raindrop Removal from UAV Aerial Imagery

Raindrops adhering to the lens of UAVs can obstruct visibility of the background scene and degrade image quality. Despite recent progress in image deraining methods and datasets, there is a lack of focus on raindrop removal from UAV aerial imagery due to the unique challenges posed by varying angles and rapid movement during drone flight. To fill the gap in this research, we first construct a new benchmark dataset for removing raindrops from UAV images, called UAV-Rain1k. In this letter, we provide a dataset generation pipeline, which includes modeling raindrop shapes using Blender, collecting background images from various UAV angles, random sampling of rain masks and etc. Based on the proposed benchmark, we further present a comprehensive evaluation of existing representative image deraining algorithms, and reveal future research opportunities worth exploring. The proposed dataset will be publicly available at https://github.com/cschenxiang/UAV-Rain1k.