Materials
Applying Ontologies and Knowledge Augmented Large Language Models to Industrial Automation: A Decision-Making Guidance for Achieving Human-Robot Collaboration in Industry 5.0
Oyekan, John, Turner, Christopher, Bax, Michael, Graf, Erich
The rapid advancement of Large Language Models (LLMs) has resulted in interest in their potential applications within manufacturing systems, particularly in the context of Industry 5.0. However, determining when to implement LLMs versus other Natural Language Processing (NLP) techniques, ontologies or knowledge graphs, remains an open question. This paper offers decision-making guidance for selecting the most suitable technique in various industrial contexts, emphasizing human-robot collaboration and resilience in manufacturing. We examine the origins and unique strengths of LLMs, ontologies, and knowledge graphs, assessing their effectiveness across different industrial scenarios based on the number of domains or disciplines required to bring a product from design to manufacture. Through this comparative framework, we explore specific use cases where LLMs could enhance robotics for human-robot collaboration, while underscoring the continued relevance of ontologies and knowledge graphs in low-dependency or resource-constrained sectors. Additionally, we address the practical challenges of deploying these technologies, such as computational cost and interpretability, providing a roadmap for manufacturers to navigate the evolving landscape of Language based AI tools in Industry 5.0. Our findings offer a foundation for informed decision-making, helping industry professionals optimize the use of Language Based models for sustainable, resilient, and human-centric manufacturing. We also propose a Large Knowledge Language Model architecture that offers the potential for transparency and configuration based on complexity of task and computing resources available.
SHARP: Synthesizing High-quality Aligned Reasoning Problems for Large Reasoning Models Reinforcement Learning
Wu, Xiong Jun, Zhang, Zhenduo, Wen, ZuJie, Zhang, Zhiqiang, Ren, Wang, Shi, Lei, Chen, Cai, Zhao, Deng, Wang, Qing, Han, Xudong, Tang, Chengfu, Jin, Dingnan, Cui, Qing, Zhou, Jun
Training large reasoning models (LRMs) with reinforcement learning in STEM domains is hindered by the scarcity of high-quality, diverse, and verifiable problem sets. Existing synthesis methods, such as Chain-of-Thought prompting, often generate oversimplified or uncheckable data, limiting model advancement on complex tasks. To address these challenges, we introduce SHARP, a unified approach to Synthesizing High-quality Aligned Reasoning Problems for LRMs reinforcement learning with verifiable rewards (RLVR). SHARP encompasses a strategic set of self-alignment principles -- targeting graduate and Olympiad-level difficulty, rigorous logical consistency, and unambiguous, verifiable answers -- and a structured three-phase framework (Alignment, Instantiation, Inference) that ensures thematic diversity and fine-grained control over problem generation. We implement SHARP by leveraging a state-of-the-art LRM to infer and verify challenging STEM questions, then employ a reinforcement learning loop to refine the model's reasoning through verifiable reward signals. Experiments on benchmarks such as GPQA demonstrate that SHARP-augmented training substantially outperforms existing methods, markedly improving complex reasoning accuracy and pushing LRM performance closer to expert-level proficiency. Our contributions include the SHARP strategy, framework design, end-to-end implementation, and experimental evaluation of its effectiveness in elevating LRM reasoning capabilities.
Data Mining-Based Techniques for Software Fault Localization
Cellier, Peggy, Ducassรฉ, Mireille, Ferrรฉ, Sรฉbastien, Ridoux, Olivier, Wong, W. Eric
This chapter illustrates the basic concepts of fault localization using a data mining technique. It utilizes the Trityp program to illustrate the general method. Formal concept analysis and association rule are two well-known methods for symbolic data mining. In their original inception, they both consider data in the form of an object-attribute table. In their original inception, they both consider data in the form of an object-attribute table. The chapter considers a debugging process in which a program is tested against different test cases. Two attributes, PASS and FAIL, represent the issue of the test case. The chapter extends the analysis of data mining for fault localization for the multiple fault situations. It addresses how data mining can be further applied to fault localization for GUI components. Unlike traditional software, GUI test cases are usually event sequences, and each individual event has a unique corresponding event handler.
Accelerating Battery Material Optimization through iterative Machine Learning
Lee, Seon-Hwa, Ye, Insoo, Lee, Changhwan, Kim, Jieun, Choi, Geunho, Nam, Sang-Cheol, Park, Inchul
The performance of battery materials is determined by their composition and the processing conditions employed during commercial-scale fabrication, where raw materials undergo complex processing steps with various additives to yield final products. As the complexity of these parameters expands with the development of industry, conventional one-factor-at-a-time (OFAT) experiment becomes old fashioned. While domain expertise aids in parameter optimization, this traditional approach becomes increasingly vulnerable to cognitive limitations and anthropogenic biases as the complexity of factors grows. Herein, we introduce an iterative machine learning (ML) framework that integrates active learning to guide targeted experimentation and facilitate incremental model refinement. This method systematically leverages comprehensive experimental observations, including both successful and unsuccessful results, effectively mitigating human-induced biases and alleviating data scarcity. Consequently, it significantly accelerates exploration within the high-dimensional design space. Our results demonstrate that active-learning-driven experimentation markedly reduces the total number of experimental cycles necessary, underscoring the transformative potential of ML-based strategies in expediting battery material optimization.
Local Superior Soups: A Catalyst for Model Merging in Cross-Silo Federated Learning
Federated learning (FL) is a learning paradigm that enables collaborative training of models using decentralized data. Recently, the utilization of pre-trained weight initialization in FL has been demonstrated to effectively improve model performance. However, the evolving complexity of current pre-trained models, characterized by a substantial increase in parameters, markedly intensifies the challenges associated with communication rounds required for their adaptation to FL. To address these communication cost issues and increase the performance of pre-trained model adaptation in FL, we propose an innovative model interpolation-based local training technique called Local Superior Soups.''Our This approach acts as a catalyst for the seamless adaptation of pre-trained models in in FL.We demonstrated its effectiveness and efficiency across diverse widely-used FL datasets.
Investigating Affect Mining Techniques for Annotation Sample Selection in the Creation of Finnish Affective Speech Corpus
Lahtinen, Kalle, Vaaras, Einari, Mustanoja, Liisa, Rรคsรคnen, Okko
Study of affect in speech requires suitable data, as emotional expression and perception vary across languages. Until now, no corpus has existed for natural expression of affect in spontaneous Finnish, existing data being acted or from a very specific communicative setting. This paper presents the first such corpus, created by annotating 12,000 utterances for emotional arousal and valence, sampled from three large-scale Finnish speech corpora. To ensure diverse affective expression, sample selection was conducted with an affect mining approach combining acoustic, cross-linguistic speech emotion, and text sentiment features. We compare this method to random sampling in terms of annotation diversity, and conduct post-hoc analyses to identify sampling choices that would have maximized the diversity. As an outcome, the work introduces a spontaneous Finnish affective speech corpus and informs sampling strategies for affective speech corpus creation in other languages or domains.
Does Chain-of-Thought Reasoning Really Reduce Harmfulness from Jailbreaking?
Lu, Chengda, Fan, Xiaoyu, Huang, Yu, Xu, Rongwu, Li, Jijie, Xu, Wei
Jailbreak attacks have been observed to largely fail against recent reasoning models enhanced by Chain-of-Thought (CoT) reasoning. However, the underlying mechanism remains underexplored, and relying solely on reasoning capacity may raise security concerns. In this paper, we try to answer the question: Does CoT reasoning really reduce harmfulness from jailbreaking? Through rigorous theoretical analysis, we demonstrate that CoT reasoning has dual effects on jailbreaking harmfulness. Based on the theoretical insights, we propose a novel jailbreak method, FicDetail, whose practical performance validates our theoretical findings.
Twin-2K-500: A dataset for building digital twins of over 2,000 people based on their answers to over 500 questions
Toubia, Olivier, Gui, George Z., Peng, Tianyi, Merlau, Daniel J., Li, Ang, Chen, Haozhe
LLM-based digital twin simulation, where large language models are used to emulate individual human behavior, holds great promise for research in AI, social science, and digital experimentation. However, progress in this area has been hindered by the scarcity of real, individual-level datasets that are both large and publicly available. This lack of high-quality ground truth limits both the development and validation of digital twin methodologies. To address this gap, we introduce a large-scale, public dataset designed to capture a rich and holistic view of individual human behavior. We survey a representative sample of $N = 2,058$ participants (average 2.42 hours per person) in the US across four waves with 500 questions in total, covering a comprehensive battery of demographic, psychological, economic, personality, and cognitive measures, as well as replications of behavioral economics experiments and a pricing survey. The final wave repeats tasks from earlier waves to establish a test-retest accuracy baseline. Initial analyses suggest the data are of high quality and show promise for constructing digital twins that predict human behavior well at the individual and aggregate levels. By making the full dataset publicly available, we aim to establish a valuable testbed for the development and benchmarking of LLM-based persona simulations. Beyond LLM applications, due to its unique breadth and scale the dataset also enables broad social science research, including studies of cross-construct correlations and heterogeneous treatment effects.
Informatics for Food Processing
Ispirova, Gordana, Sebek, Michael, Menichetti, Giulia
This chapter explores the evolution, classification, and health implications of food processing, while emphasizing the transformative role of machine learning, artificial intelligence (AI), and data science in advancing food informatics. It begins with a historical overview and a critical review of traditional classification frameworks such as NOVA, Nutri-Score, and SIGA, highlighting their strengths and limitations, particularly the subjectivity and reproducibility challenges that hinder epidemiological research and public policy. To address these issues, the chapter presents novel computational approaches, including FoodProX, a random forest model trained on nutrient composition data to infer processing levels and generate a continuous FPro score. It also explores how large language models like BERT and BioBERT can semantically embed food descriptions and ingredient lists for predictive tasks, even in the presence of missing data. A key contribution of the chapter is a novel case study using the Open Food Facts database, showcasing how multimodal AI models can integrate structured and unstructured data to classify foods at scale, offering a new paradigm for food processing assessment in public health and research.
PolyConf: Unlocking Polymer Conformation Generation through Hierarchical Generative Models
Wang, Fanmeng, Guo, Wentao, Ou, Qi, Wang, Hongshuai, Lin, Haitao, Xu, Hongteng, Gao, Zhifeng
Polymer conformation generation is a critical task that enables atomic-level studies of diverse polymer materials. While significant advances have been made in designing conformation generation methods for small molecules and proteins, these methods struggle to generate polymer conformations due to their unique structural characteristics. Meanwhile, the scarcity of polymer conformation datasets further limits the progress, making this important area largely unexplored. In this work, we propose PolyConf, a pioneering tailored polymer conformation generation method that leverages hierarchical generative models to unlock new possibilities. Specifically, we decompose the polymer conformation into a series of local conformations (i.e., the conformations of its repeating units), generating these local conformations through an autoregressive model, and then generating their orientation transformations via a diffusion model to assemble them into the complete polymer conformation. Moreover, we develop the first benchmark with a high-quality polymer conformation dataset derived from molecular dynamics simulations to boost related research in this area. The comprehensive evaluation demonstrates that PolyConf consistently outperforms existing conformation generation methods, thus facilitating advancements in polymer modeling and simulation.