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Dec 31

Engineering Design Knowledge Graphs from Patented Artefact Descriptions for Retrieval-Augmented Generation in the Design Process

Despite significant popularity, Large-language Models (LLMs) require explicit, contextual facts to support domain-specific knowledge-intensive tasks in the design process. The applications built using LLMs should hence adopt Retrieval-Augmented Generation (RAG) to better suit the design process. In this article, we present a data-driven method to identify explicit facts from patent documents that provide standard descriptions of over 8 million artefacts. In our method, we train roBERTa Transformer-based sequence classification models using our dataset of 44,227 sentences and facts. Upon classifying tokens in a sentence as entities or relationships, our method uses another classifier to identify specific relationship tokens for a given pair of entities so that explicit facts of the form head entity :: relationship :: tail entity are identified. In the benchmark approaches for constructing facts, we use linear classifiers and Graph Neural Networks (GNNs) both incorporating BERT Transformer-based token embeddings to predict associations among the entities and relationships. We apply our method to 4,870 fan system related patents and populate a knowledge base of around 3 million facts. Upon retrieving the facts representing generalisable domain knowledge and the knowledge of specific subsystems and issues, we demonstrate how these facts contextualise LLMs for generating text that is more relevant to the design process.

  • 2 authors
·
Jul 13, 2023

Linguistic and Structural Basis of Engineering Design Knowledge

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

  • 2 authors
·
Dec 11, 2023

DATED: Guidelines for Creating Synthetic Datasets for Engineering Design Applications

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

  • 3 authors
·
May 15, 2023

Harnessing Multi-Agent LLMs for Complex Engineering Problem-Solving: A Framework for Senior Design Projects

Multi-Agent Large Language Models (LLMs) are gaining significant attention for their ability to harness collective intelligence in complex problem-solving, decision-making, and planning tasks. This aligns with the concept of the wisdom of crowds, where diverse agents contribute collectively to generating effective solutions, making it particularly suitable for educational settings. Senior design projects, also known as capstone or final year projects, are pivotal in engineering education as they integrate theoretical knowledge with practical application, fostering critical thinking, teamwork, and real-world problem-solving skills. In this paper, we explore the use of Multi-Agent LLMs in supporting these senior design projects undertaken by engineering students, which often involve multidisciplinary considerations and conflicting objectives, such as optimizing technical performance while addressing ethical, social, and environmental concerns. We propose a framework where distinct LLM agents represent different expert perspectives, such as problem formulation agents, system complexity agents, societal and ethical agents, or project managers, thus facilitating a holistic problem-solving approach. This implementation leverages standard multi-agent system (MAS) concepts such as coordination, cooperation, and negotiation, incorporating prompt engineering to develop diverse personas for each agent. These agents engage in rich, collaborative dialogues to simulate human engineering teams, guided by principles from swarm AI to efficiently balance individual contributions towards a unified solution. We adapt these techniques to create a collaboration structure for LLM agents, encouraging interdisciplinary reasoning and negotiation similar to real-world senior design projects. To assess the efficacy of this framework, we collected six proposals of engineering and computer science of...

  • 6 authors
·
Jan 2, 2025

Intelligent Design 4.0: Paradigm Evolution Toward the Agentic AI Era

Research and practice in Intelligent Design (ID) have significantly enhanced engineering innovation, efficiency, quality, and productivity over recent decades, fundamentally reshaping how engineering designers think, behave, and interact with design processes. The recent emergence of Foundation Models (FMs), particularly Large Language Models (LLMs), has demonstrated general knowledge-based reasoning capabilities, and open new paths and avenues for further transformation in engineering design. In this context, this paper introduces Intelligent Design 4.0 (ID 4.0) as an emerging paradigm empowered by agentic AI systems. We review the historical evolution of ID across four distinct stages: rule-based expert systems, task-specific machine learning models, large-scale foundation AI models, and the recent emerging paradigm of multi-agent collaboration. We propose a conceptual framework for ID 4.0 and discuss its potential to support end-to-end automation of engineering design processes through coordinated, autonomous multi-agent-based systems. Furthermore, we discuss future perspectives to enhance and fully realize ID 4.0's potential, including more complex design scenarios, more practical design implementations, novel agent coordination mechanisms, and autonomous design goal-setting with better human value alignment. In sum, these insights lay a foundation for advancing Intelligent Design toward greater adaptivity, autonomy, and effectiveness in addressing increasingly complex design challenges.

  • 5 authors
·
Jun 11, 2025

Text-to-CadQuery: A New Paradigm for CAD Generation with Scalable Large Model Capabilities

Computer-aided design (CAD) is fundamental to modern engineering and manufacturing, but creating CAD models still requires expert knowledge and specialized software. Recent advances in large language models (LLMs) open up the possibility of generative CAD, where natural language is directly translated into parametric 3D models. However, most existing methods generate task-specific command sequences that pretrained models cannot directly handle. These sequences must be converted into CAD representations such as CAD vectors before a 3D model can be produced, which requires training models from scratch and adds unnecessary complexity. To tackle this issue, we propose generating CadQuery code directly from text, leveraging the strengths of pretrained LLMs to produce 3D models without intermediate representations, using this Python-based scripting language. Since LLMs already excel at Python generation and spatial reasoning, fine-tuning them on Text-to-CadQuery data proves highly effective. Given that these capabilities typically improve with scale, we hypothesize that larger models will perform better after fine-tuning. To enable this, we augment the Text2CAD dataset with 170,000 CadQuery annotations. We fine-tune six open-source LLMs of varying sizes and observe consistent improvements. Our best model achieves a top-1 exact match of 69.3%, up from 58.8%, and reduces Chamfer Distance by 48.6%. Project page: https://github.com/Text-to-CadQuery/Text-to-CadQuery.

  • 2 authors
·
May 10, 2025

Knowledge Prompting: How Knowledge Engineers Use Large Language Models

Despite many advances in knowledge engineering (KE), challenges remain in areas such as engineering knowledge graphs (KGs) at scale, keeping up with evolving domain knowledge, multilingualism, and multimodality. Recently, KE has used LLMs to support semi-automatic tasks, but the most effective use of LLMs to support knowledge engineers across the KE activites is still in its infancy. To explore the vision of LLM copilots for KE and change existing KE practices, we conducted a multimethod study during a KE hackathon. We investigated participants' views on the use of LLMs, the challenges they face, the skills they may need to integrate LLMs into their practices, and how they use LLMs responsibly. We found participants felt LLMs could contribute to improving efficiency when engineering KGs, but presented increased challenges around the already complex issues of evaluating the KE tasks. We discovered prompting to be a useful but undervalued skill for knowledge engineers working with LLMs, and note that natural language processing skills may become more relevant across more roles in KG construction. Integrating LLMs into KE tasks needs to be mindful of potential risks and harms related to responsible AI. Given the limited ethical training, most knowledge engineers receive solutions such as our suggested `KG cards' based on data cards could be a useful guide for KG construction. Our findings can support designers of KE AI copilots, KE researchers, and practitioners using advanced AI to develop trustworthy applications, propose new methodologies for KE and operate new technologies responsibly.

  • 5 authors
·
Aug 2, 2024

DesignRepair: Dual-Stream Design Guideline-Aware Frontend Repair with Large Language Models

The rise of Large Language Models (LLMs) has streamlined frontend interface creation through tools like Vercel's V0, yet surfaced challenges in design quality (e.g., accessibility, and usability). Current solutions, often limited by their focus, generalisability, or data dependency, fall short in addressing these complexities. Moreover, none of them examine the quality of LLM-generated UI design. In this work, we introduce DesignRepair, a novel dual-stream design guideline-aware system to examine and repair the UI design quality issues from both code aspect and rendered page aspect. We utilised the mature and popular Material Design as our knowledge base to guide this process. Specifically, we first constructed a comprehensive knowledge base encoding Google's Material Design principles into low-level component knowledge base and high-level system design knowledge base. After that, DesignRepair employs a LLM for the extraction of key components and utilizes the Playwright tool for precise page analysis, aligning these with the established knowledge bases. Finally, we integrate Retrieval-Augmented Generation with state-of-the-art LLMs like GPT-4 to holistically refine and repair frontend code through a strategic divide and conquer approach. Our extensive evaluations validated the efficacy and utility of our approach, demonstrating significant enhancements in adherence to design guidelines, accessibility, and user experience metrics.

  • 8 authors
·
Nov 3, 2024

From Concept to Manufacturing: Evaluating Vision-Language Models for Engineering Design

Engineering Design is undergoing a transformative shift with the advent of AI, marking a new era in how we approach product, system, and service planning. Large language models have demonstrated impressive capabilities in enabling this shift. Yet, with text as their only input modality, they cannot leverage the large body of visual artifacts that engineers have used for centuries and are accustomed to. This gap is addressed with the release of multimodal vision language models, such as GPT-4V, enabling AI to impact many more types of tasks. In light of these advancements, this paper presents a comprehensive evaluation of GPT-4V, a vision language model, across a wide spectrum of engineering design tasks, categorized into four main areas: Conceptual Design, System-Level and Detailed Design, Manufacturing and Inspection, and Engineering Education Tasks. Our study assesses GPT-4V's capabilities in design tasks such as sketch similarity analysis, concept selection using Pugh Charts, material selection, engineering drawing analysis, CAD generation, topology optimization, design for additive and subtractive manufacturing, spatial reasoning challenges, and textbook problems. Through this structured evaluation, we not only explore GPT-4V's proficiency in handling complex design and manufacturing challenges but also identify its limitations in complex engineering design applications. Our research establishes a foundation for future assessments of vision language models, emphasizing their immense potential for innovating and enhancing the engineering design and manufacturing landscape. It also contributes a set of benchmark testing datasets, with more than 1000 queries, for ongoing advancements and applications in this field.

  • 7 authors
·
Nov 21, 2023

CircuitSense: A Hierarchical Circuit System Benchmark Bridging Visual Comprehension and Symbolic Reasoning in Engineering Design Process

Engineering design operates through hierarchical abstraction from system specifications to component implementations, requiring visual understanding coupled with mathematical reasoning at each level. While Multi-modal Large Language Models (MLLMs) excel at natural image tasks, their ability to extract mathematical models from technical diagrams remains unexplored. We present CircuitSense, a comprehensive benchmark evaluating circuit understanding across this hierarchy through 8,006+ problems spanning component-level schematics to system-level block diagrams. Our benchmark uniquely examines the complete engineering workflow: Perception, Analysis, and Design, with a particular emphasis on the critical but underexplored capability of deriving symbolic equations from visual inputs. We introduce a hierarchical synthetic generation pipeline consisting of a grid-based schematic generator and a block diagram generator with auto-derived symbolic equation labels. Comprehensive evaluation of six state-of-the-art MLLMs, including both closed-source and open-source models, reveals fundamental limitations in visual-to-mathematical reasoning. Closed-source models achieve over 85\% accuracy on perception tasks involving component recognition and topology identification, yet their performance on symbolic derivation and analytical reasoning falls below 19\%, exposing a critical gap between visual parsing and symbolic reasoning. Models with stronger symbolic reasoning capabilities consistently achieve higher design task accuracy, confirming the fundamental role of mathematical understanding in circuit synthesis and establishing symbolic reasoning as the key metric for engineering competence.

  • 9 authors
·
Sep 26, 2025

EngiBench: A Framework for Data-Driven Engineering Design Research

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are difficult to install, computationally expensive, and require domain-specific expertise. To mitigate these challenges, we introduce EngiBench, the first open-source library and datasets spanning diverse domains for data-driven engineering design. EngiBench provides a unified API and a curated set of benchmarks -- covering aeronautics, heat conduction, photonics, and more -- that enable fair, reproducible comparisons of optimization and machine learning algorithms, such as generative or surrogate models. We also release EngiOpt, a companion library offering a collection of such algorithms compatible with the EngiBench interface. Both libraries are modular, letting users plug in novel algorithms or problems, automate end-to-end experiment workflows, and leverage built-in utilities for visualization, dataset generation, feasibility checks, and performance analysis. We demonstrate their versatility through experiments comparing state-of-the-art techniques across multiple engineering design problems, an undertaking that was previously prohibitively time-consuming to perform. Finally, we show that these problems pose significant challenges for standard machine learning methods due to highly sensitive and constrained design manifolds.

  • 12 authors
·
Jun 2, 2025 1

BikeBench: A Bicycle Design Benchmark for Generative Models with Objectives and Constraints

We introduce BikeBench, an engineering design benchmark for evaluating generative models on problems with multiple real-world objectives and constraints. As generative AI's reach continues to grow, evaluating its capability to understand physical laws, human guidelines, and hard constraints grows increasingly important. Engineering product design lies at the intersection of these difficult tasks, providing new challenges for AI capabilities. BikeBench evaluates AI models' capabilities to generate bicycle designs that not only resemble the dataset, but meet specific performance objectives and constraints. To do so, BikeBench quantifies a variety of human-centered and multiphysics performance characteristics, such as aerodynamics, ergonomics, structural mechanics, human-rated usability, and similarity to subjective text or image prompts. Supporting the benchmark are several datasets of simulation results, a dataset of 10,000 human-rated bicycle assessments, and a synthetically generated dataset of 1.6M designs, each with a parametric, CAD/XML, SVG, and PNG representation. BikeBench is uniquely configured to evaluate tabular generative models, large language models (LLMs), design optimization, and hybrid algorithms side-by-side. Our experiments indicate that LLMs and tabular generative models fall short of hybrid GenAI+optimization algorithms in design quality, constraint satisfaction, and similarity scores, suggesting significant room for improvement. We hope that BikeBench, a first-of-its-kind benchmark, will help catalyze progress in generative AI for constrained multi-objective engineering design problems. We provide code, data, an interactive leaderboard, and other resources at https://github.com/Lyleregenwetter/BikeBench.

  • 5 authors
·
May 25, 2025

AECBench: A Hierarchical Benchmark for Knowledge Evaluation of Large Language Models in the AEC Field

Large language models (LLMs), as a novel information technology, are seeing increasing adoption in the Architecture, Engineering, and Construction (AEC) field. They have shown their potential to streamline processes throughout the building lifecycle. However, the robustness and reliability of LLMs in such a specialized and safety-critical domain remain to be evaluated. To address this challenge, this paper establishes AECBench, a comprehensive benchmark designed to quantify the strengths and limitations of current LLMs in the AEC domain. The benchmark defines 23 representative tasks within a five-level cognition-oriented evaluation framework encompassing Knowledge Memorization, Understanding, Reasoning, Calculation, and Application. These tasks were derived from authentic AEC practice, with scope ranging from codes retrieval to specialized documents generation. Subsequently, a 4,800-question dataset encompassing diverse formats, including open-ended questions, was crafted primarily by engineers and validated through a two-round expert review. Furthermore, an LLM-as-a-Judge approach was introduced to provide a scalable and consistent methodology for evaluating complex, long-form responses leveraging expert-derived rubrics. Through the evaluation of nine LLMs, a clear performance decline across five cognitive levels was revealed. Despite demonstrating proficiency in foundational tasks at the Knowledge Memorization and Understanding levels, the models showed significant performance deficits, particularly in interpreting knowledge from tables in building codes, executing complex reasoning and calculation, and generating domain-specific documents. Consequently, this study lays the groundwork for future research and development aimed at the robust and reliable integration of LLMs into safety-critical engineering practices.

  • 11 authors
·
Sep 23, 2025

DesignQA: A Multimodal Benchmark for Evaluating Large Language Models' Understanding of Engineering Documentation

This research introduces DesignQA, a novel benchmark aimed at evaluating the proficiency of multimodal large language models (MLLMs) in comprehending and applying engineering requirements in technical documentation. Developed with a focus on real-world engineering challenges, DesignQA uniquely combines multimodal data-including textual design requirements, CAD images, and engineering drawings-derived from the Formula SAE student competition. Different from many existing MLLM benchmarks, DesignQA contains document-grounded visual questions where the input image and input document come from different sources. The benchmark features automatic evaluation metrics and is divided into segments-Rule Comprehension, Rule Compliance, and Rule Extraction-based on tasks that engineers perform when designing according to requirements. We evaluate state-of-the-art models like GPT4 and LLaVA against the benchmark, and our study uncovers the existing gaps in MLLMs' abilities to interpret complex engineering documentation. Key findings suggest that while MLLMs demonstrate potential in navigating technical documents, substantial limitations exist, particularly in accurately extracting and applying detailed requirements to engineering designs. This benchmark sets a foundation for future advancements in AI-supported engineering design processes. DesignQA is publicly available at: https://github.com/anniedoris/design_qa/.

  • 6 authors
·
Apr 11, 2024

Counterfactuals for Design: A Model-Agnostic Method For Design Recommendations

We introduce Multi-Objective Counterfactuals for Design (MCD), a novel method for counterfactual optimization in design problems. Counterfactuals are hypothetical situations that can lead to a different decision or choice. In this paper, the authors frame the counterfactual search problem as a design recommendation tool that can help identify modifications to a design, leading to better functional performance. MCD improves upon existing counterfactual search methods by supporting multi-objective queries, which are crucial in design problems, and by decoupling the counterfactual search and sampling processes, thus enhancing efficiency and facilitating objective tradeoff visualization. The paper demonstrates MCD's core functionality using a two-dimensional test case, followed by three case studies of bicycle design that showcase MCD's effectiveness in real-world design problems. In the first case study, MCD excels at recommending modifications to query designs that can significantly enhance functional performance, such as weight savings and improvements to the structural safety factor. The second case study demonstrates that MCD can work with a pre-trained language model to suggest design changes based on a subjective text prompt effectively. Lastly, the authors task MCD with increasing a query design's similarity to a target image and text prompt while simultaneously reducing weight and improving structural performance, demonstrating MCD's performance on a complex multimodal query. Overall, MCD has the potential to provide valuable recommendations for practitioners and design automation researchers looking for answers to their ``What if'' questions by exploring hypothetical design modifications and their impact on multiple design objectives. The code, test problems, and datasets used in the paper are available to the public at decode.mit.edu/projects/counterfactuals/.

  • 3 authors
·
May 18, 2023

Fast and Accurate Zero-Training Classification for Tabular Engineering Data

In engineering design, navigating complex decision-making landscapes demands a thorough exploration of the design, performance, and constraint spaces, often impeded by resource-intensive simulations. Data-driven methods can mitigate this challenge by harnessing historical data to delineate feasible domains, accelerate optimization, or evaluate designs. However, the implementation of these methods usually demands machine-learning expertise and multiple trials to choose the right method and hyperparameters. This makes them less accessible for numerous engineering situations. Additionally, there is an inherent trade-off between training speed and accuracy, with faster methods sometimes compromising precision. In our paper, we demonstrate that a recently released general-purpose transformer-based classification model, TabPFN, is both fast and accurate. Notably, it requires no dataset-specific training to assess new tabular data. TabPFN is a Prior-Data Fitted Network, which undergoes a one-time offline training across a broad spectrum of synthetic datasets and performs in-context learning. We evaluated TabPFN's efficacy across eight engineering design classification problems, contrasting it with seven other algorithms, including a state-of-the-art AutoML method. For these classification challenges, TabPFN consistently outperforms in speed and accuracy. It is also the most data-efficient and provides the added advantage of being differentiable and giving uncertainty estimates. Our findings advocate for the potential of pre-trained models that learn from synthetic data and require no domain-specific tuning to make data-driven engineering design accessible to a broader community and open ways to efficient general-purpose models valid across applications. Furthermore, we share a benchmark problem set for evaluating new classification algorithms in engineering design.

  • 2 authors
·
Jan 12, 2024

Talking Models: Distill Pre-trained Knowledge to Downstream Models via Interactive Communication

Many recent breakthroughs in machine learning have been enabled by the pre-trained foundation models. By scaling up model parameters, training data, and computation resources, foundation models have significantly advanced the state-of-the-art in many applications. However, it is still an open question of how to use these models to perform downstream tasks efficiently. Knowledge distillation (KD) has been explored to tackle this challenge. KD transfers knowledge from a large teacher model to a smaller student model. While KD has been successful in improving student model performance, recent research has discovered that a powerful teacher does not necessarily lead to a powerful student, due to their huge capacity gap. In addition, the potential distribution shifts between the pre-training data and downstream tasks can make knowledge transfer in KD sub-optimal for improving downstream task performance. In this paper, we extend KD with an interactive communication process to help students of downstream tasks learn effectively from pre-trained foundation models. Our design is inspired by the way humans learn from teachers who can explain knowledge in a way that meets the students' needs. Specifically, we let each model (i.e., student and teacher) train two components: (1) an encoder encoding the model's hidden states to a message and (2) a decoder decoding any messages to its own hidden states. With encoder and decoder, not only can the teacher transfer rich information by encoding its hidden states, but also the student can send messages with information of downstream tasks to the teacher. Therefore, knowledge passing from teacher to student can be tailored to the student's capacity and downstream tasks' distributions. We conducted experiments on benchmark datasets to show that our communication mechanism outperforms state-of-the-art distillation techniques.

  • 6 authors
·
Oct 4, 2023

FEM-Bench: A Structured Scientific Reasoning Benchmark for Evaluating Code-Generating LLMs

As LLMs advance their reasoning capabilities about the physical world, the absence of rigorous benchmarks for evaluating their ability to generate scientifically valid physical models has become a critical gap. Computational mechanics, which develops and applies mathematical models and numerical methods to predict the behavior of physical systems under forces, deformation, and constraints, provides an ideal foundation for structured scientific reasoning evaluation. Problems follow clear mathematical structure, enforce strict physical and numerical constraints, and support objective verification. The discipline requires constructing explicit models of physical systems and reasoning about geometry, spatial relationships, and material behavior, connecting directly to emerging AI goals in physical reasoning and world modeling. We introduce FEM-Bench, a computational mechanics benchmark designed to evaluate the ability of LLMs to generate correct finite element method (FEM) and related code. FEM-Bench 2025 contains a suite of introductory but nontrivial tasks aligned with material from a first graduate course on computational mechanics. These tasks capture essential numerical and physical modeling challenges while representing only a small fraction of the complexity present in the discipline. Despite their simplicity, state-of-the-art LLMs do not reliably solve all of them. In a five attempt run, the best performing model at function writing, Gemini 3 Pro, completed 30/33 tasks at least once and 26/33 tasks all five times. The best performing model at unit test writing, GPT-5, had an Average Joint Success Rate of 73.8%. Other popular models showed broad performance variation. FEM-Bench establishes a structured foundation for evaluating AI-generated scientific code, and future iterations will incorporate increasingly sophisticated tasks to track progress as models evolve.

  • 4 authors
·
Dec 23, 2025

BioinspiredLLM: Conversational Large Language Model for the Mechanics of Biological and Bio-inspired Materials

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.

  • 2 authors
·
Sep 15, 2023

MechGPT, a language-based strategy for mechanics and materials modeling that connects knowledge across scales, disciplines and modalities

For centuries, researchers have sought out ways to connect disparate areas of knowledge. While early scholars (Galileo, da Vinci, etc.) were experts across fields, specialization has taken hold later. With the advent of Artificial Intelligence, we can now explore relationships across areas (e.g., mechanics-biology) or disparate domains (e.g., failure mechanics-art). To achieve this, we use a fine-tuned Large Language Model (LLM), here for a subset of knowledge in multiscale materials failure. The approach includes the use of a general-purpose LLM to distill question-answer pairs from raw sources followed by LLM fine-tuning. The resulting MechGPT LLM foundation model is used in a series of computational experiments to explore its capacity for knowledge retrieval, various language tasks, hypothesis generation, and connecting knowledge across disparate areas. While the model has some ability to recall knowledge from training, we find that LLMs are particularly useful to extract structural insights through Ontological Knowledge Graphs. These interpretable graph structures provide explanatory insights, frameworks for new research questions, and visual representations of knowledge that also can be used in retrieval-augmented generation. Three versions of MechGPT are discussed, featuring different sizes from 13 billion to 70 billion parameters, and reaching context lengths of more than 10,000 tokens. This provides ample capacity for sophisticated retrieval augmented strategies, as well as agent-based modeling where multiple LLMs interact collaboratively and/or adversarially, the incorporation of new data from the literature or web searches, as well as multimodality.

  • 1 authors
·
Oct 16, 2023

Topologies of Reasoning: Demystifying Chains, Trees, and Graphs of Thoughts

The field of natural language processing (NLP) has witnessed significant progress in recent years, with a notable focus on improving large language models' (LLM) performance through innovative prompting techniques. Among these, prompt engineering coupled with structures has emerged as a promising paradigm, with designs such as Chain-of-Thought, Tree of Thoughts, or Graph of Thoughts, in which the overall LLM reasoning is guided by a structure such as a graph. As illustrated with numerous examples, this paradigm significantly enhances the LLM's capability to solve numerous tasks, ranging from logical or mathematical reasoning to planning or creative writing. To facilitate the understanding of this growing field and pave the way for future developments, we devise a general blueprint for effective and efficient LLM reasoning schemes. For this, we conduct an in-depth analysis of the prompt execution pipeline, clarifying and clearly defining different concepts. We then build the first taxonomy of structure-enhanced LLM reasoning schemes. We focus on identifying fundamental classes of harnessed structures, and we analyze the representations of these structures, algorithms executed with these structures, and many others. We refer to these structures as reasoning topologies, because their representation becomes to a degree spatial, as they are contained within the LLM context. Our study compares existing prompting schemes using the proposed taxonomy, discussing how certain design choices lead to different patterns in performance and cost. We also outline theoretical underpinnings, relationships between prompting and others parts of the LLM ecosystem such as knowledge bases, and the associated research challenges. Our work will help to advance future prompt engineering techniques.

  • 14 authors
·
Jan 25, 2024

From Intent to Execution: Multimodal Chain-of-Thought Reinforcement Learning for Precise CAD Code Generation

Computer-Aided Design (CAD) plays a vital role in engineering and manufacturing, yet current CAD workflows require extensive domain expertise and manual modeling effort. Recent advances in large language models (LLMs) have made it possible to generate code from natural language, opening new opportunities for automating parametric 3D modeling. However, directly translating human design intent into executable CAD code remains highly challenging, due to the need for logical reasoning, syntactic correctness, and numerical precision. In this work, we propose CAD-RL, a multimodal Chain-of-Thought (CoT) guided reinforcement learning post training framework for CAD modeling code generation. Our method combines CoT-based Cold Start with goal-driven reinforcement learning post training using three task-specific rewards: executability reward, geometric accuracy reward, and external evaluation reward. To ensure stable policy learning under sparse and high-variance reward conditions, we introduce three targeted optimization strategies: Trust Region Stretch for improved exploration, Precision Token Loss for enhanced dimensions parameter accuracy, and Overlong Filtering to reduce noisy supervision. To support training and benchmarking, we release ExeCAD, a noval dataset comprising 16,540 real-world CAD examples with paired natural language and structured design language descriptions, executable CADQuery scripts, and rendered 3D models. Experiments demonstrate that CAD-RL achieves significant improvements in reasoning quality, output precision, and code executability over existing VLMs.

  • 7 authors
·
Aug 13, 2025

AnalogSeeker: An Open-source Foundation Language Model for Analog Circuit Design

In this paper, we propose AnalogSeeker, an effort toward an open-source foundation language model for analog circuit design, with the aim of integrating domain knowledge and giving design assistance. To overcome the scarcity of data in this field, we employ a corpus collection strategy based on the domain knowledge framework of analog circuits. High-quality, accessible textbooks across relevant subfields are systematically curated and cleaned into a textual domain corpus. To address the complexity of knowledge of analog circuits, we introduce a granular domain knowledge distillation method. Raw, unlabeled domain corpus is decomposed into typical, granular learning nodes, where a multi-agent framework distills implicit knowledge embedded in unstructured text into question-answer data pairs with detailed reasoning processes, yielding a fine-grained, learnable dataset for fine-tuning. To address the unexplored challenges in training analog circuit foundation models, we explore and share our training methods through both theoretical analysis and experimental validation. We finally establish a fine-tuning-centric training paradigm, customizing and implementing a neighborhood self-constrained supervised fine-tuning algorithm. This approach enhances training outcomes by constraining the perturbation magnitude between the model's output distributions before and after training. In practice, we train the Qwen2.5-32B-Instruct model to obtain AnalogSeeker, which achieves 85.04% accuracy on AMSBench-TQA, the analog circuit knowledge evaluation benchmark, with a 15.67% point improvement over the original model and is competitive with mainstream commercial models. Furthermore, AnalogSeeker also shows effectiveness in the downstream operational amplifier design task. AnalogSeeker is open-sourced at https://huggingface.co/analogllm/analogseeker for research use.

  • 14 authors
·
Aug 14, 2025

VideoCAD: A Large-Scale Video Dataset for Learning UI Interactions and 3D Reasoning from CAD Software

Computer-Aided Design (CAD) is a time-consuming and complex process, requiring precise, long-horizon user interactions with intricate 3D interfaces. While recent advances in AI-driven user interface (UI) agents show promise, most existing datasets and methods focus on short, low-complexity tasks in mobile or web applications, failing to capture the demands of professional engineering tools. In this work, we introduce VideoCAD, the first attempt at engineering UI interaction learning for precision tasks. Specifically, VideoCAD is a large-scale synthetic dataset consisting of over 41K annotated video recordings of CAD operations, generated using an automated framework for collecting high-fidelity UI action data from human-made CAD designs. Compared to existing datasets, VideoCAD offers an order of magnitude higher complexity in UI interaction learning for real-world engineering tasks, having up to a 20x longer time horizon than other datasets. We show two important downstream applications of VideoCAD: learning UI interactions from professional precision 3D CAD tools and a visual question-answering (VQA) benchmark designed to evaluate multimodal large language models' (LLM) spatial reasoning and video understanding abilities. To learn the UI interactions, we propose VideoCADFormer - a state-of-the-art model in learning CAD interactions directly from video, which outperforms multiple behavior cloning baselines. Both VideoCADFormer and the VQA benchmark derived from VideoCAD reveal key challenges in the current state of video-based UI understanding, including the need for precise action grounding, multi-modal and spatial reasoning, and long-horizon dependencies.

  • 4 authors
·
May 30, 2025

Challenges and Practices of Deep Learning Model Reengineering: A Case Study on Computer Vision

Many engineering organizations are reimplementing and extending deep neural networks from the research community. We describe this process as deep learning model reengineering. Deep learning model reengineering - reusing, reproducing, adapting, and enhancing state-of-the-art deep learning approaches - is challenging for reasons including under-documented reference models, changing requirements, and the cost of implementation and testing. In addition, individual engineers may lack expertise in software engineering, yet teams must apply knowledge of software engineering and deep learning to succeed. Prior work has examined on DL systems from a "product" view, examining defects from projects regardless of the engineers' purpose. Our study is focused on reengineering activities from a "process" view, and focuses on engineers specifically engaged in the reengineering process. Our goal is to understand the characteristics and challenges of deep learning model reengineering. We conducted a case study of this phenomenon, focusing on the context of computer vision. Our results draw from two data sources: defects reported in open-source reeengineering projects, and interviews conducted with open-source project contributors and the leaders of a reengineering team. Our results describe how deep learning-based computer vision techniques are reengineered, analyze the distribution of defects in this process, and discuss challenges and practices. Integrating our quantitative and qualitative data, we proposed a novel reengineering workflow. Our findings inform several future directions, including: measuring additional unknown aspects of model reengineering; standardizing engineering practices to facilitate reengineering; and developing tools to support model reengineering and model reuse.

  • 7 authors
·
Mar 13, 2023

Surrogate Modeling of Car Drag Coefficient with Depth and Normal Renderings

Generative AI models have made significant progress in automating the creation of 3D shapes, which has the potential to transform car design. In engineering design and optimization, evaluating engineering metrics is crucial. To make generative models performance-aware and enable them to create high-performing designs, surrogate modeling of these metrics is necessary. However, the currently used representations of three-dimensional (3D) shapes either require extensive computational resources to learn or suffer from significant information loss, which impairs their effectiveness in surrogate modeling. To address this issue, we propose a new two-dimensional (2D) representation of 3D shapes. We develop a surrogate drag model based on this representation to verify its effectiveness in predicting 3D car drag. We construct a diverse dataset of 9,070 high-quality 3D car meshes labeled by drag coefficients computed from computational fluid dynamics (CFD) simulations to train our model. Our experiments demonstrate that our model can accurately and efficiently evaluate drag coefficients with an R^2 value above 0.84 for various car categories. Moreover, the proposed representation method can be generalized to many other product categories beyond cars. Our model is implemented using deep neural networks, making it compatible with recent AI image generation tools (such as Stable Diffusion) and a significant step towards the automatic generation of drag-optimized car designs. We have made the dataset and code publicly available at https://decode.mit.edu/projects/dragprediction/.

  • 5 authors
·
May 26, 2023

Knowledge Graph Modeling-Driven Large Language Model Operating System (LLM OS) for Task Automation in Process Engineering Problem-Solving

We present the Process Engineering Operations Assistant (PEOA), an AI-driven framework designed to solve complex problems in the chemical and process industries. The framework employs a modular architecture orchestrated by a meta-agent, which serves as the central coordinator, managing an action generator and instruction-tuned small-scale language models (expert models). The action generator decomposes complex problems into sub-tasks and identifies suitable expert models to execute each, delivering precise solutions for multi-step problem-solving. Key techniques include advanced knowledge modeling using property graphs for improved information retrieval, facilitating more accurate and contextually relevant solutions. Additionally, the framework utilizes a teacher-student transfer-learning approach with GPT-4 (Omni) to fine-tune the action generator and expert models for domain adaptation, alongside an iterative problem-solving mechanism with sophisticated error handling. Custom datasets were developed to evaluate the framework against leading proprietary language models on various engineering tasks. The results demonstrate the framework effectiveness in automating calculations, accelerating prototyping, and providing AI-augmented decision support for industrial processes, marking a significant advancement in process engineering capabilities.

  • 3 authors
·
Aug 23, 2024

MechAgents: Large language model multi-agent collaborations can solve mechanics problems, generate new data, and integrate knowledge

Solving mechanics problems using numerical methods requires comprehensive intelligent capability of retrieving relevant knowledge and theory, constructing and executing codes, analyzing the results, a task that has thus far mainly been reserved for humans. While emerging AI methods can provide effective approaches to solve end-to-end problems, for instance via the use of deep surrogate models or various data analytics strategies, they often lack physical intuition since knowledge is baked into the parametric complement through training, offering less flexibility when it comes to incorporating mathematical or physical insights. By leveraging diverse capabilities of multiple dynamically interacting large language models (LLMs), we can overcome the limitations of conventional approaches and develop a new class of physics-inspired generative machine learning platform, here referred to as MechAgents. A set of AI agents can solve mechanics tasks, here demonstrated for elasticity problems, via autonomous collaborations. A two-agent team can effectively write, execute and self-correct code, in order to apply finite element methods to solve classical elasticity problems in various flavors (different boundary conditions, domain geometries, meshes, small/finite deformation and linear/hyper-elastic constitutive laws, and others). For more complex tasks, we construct a larger group of agents with enhanced division of labor among planning, formulating, coding, executing and criticizing the process and results. The agents mutually correct each other to improve the overall team-work performance in understanding, formulating and validating the solution. Our framework shows the potential of synergizing the intelligence of language models, the reliability of physics-based modeling, and the dynamic collaborations among diverse agents, opening novel avenues for automation of solving engineering problems.

  • 2 authors
·
Nov 14, 2023

Large Language and Text-to-3D Models for Engineering Design Optimization

The current advances in generative AI for learning large neural network models with the capability to produce essays, images, music and even 3D assets from text prompts create opportunities for a manifold of disciplines. In the present paper, we study the potential of deep text-to-3D models in the engineering domain, with focus on the chances and challenges when integrating and interacting with 3D assets in computational simulation-based design optimization. In contrast to traditional design optimization of 3D geometries that often searches for the optimum designs using numerical representations, such as B-Spline surface or deformation parameters in vehicle aerodynamic optimization, natural language challenges the optimization framework by requiring a different interpretation of variation operators while at the same time may ease and motivate the human user interaction. Here, we propose and realize a fully automated evolutionary design optimization framework using Shap-E, a recently published text-to-3D asset network by OpenAI, in the context of aerodynamic vehicle optimization. For representing text prompts in the evolutionary optimization, we evaluate (a) a bag-of-words approach based on prompt templates and Wordnet samples, and (b) a tokenisation approach based on prompt templates and the byte pair encoding method from GPT4. Our main findings from the optimizations indicate that, first, it is important to ensure that the designs generated from prompts are within the object class of application, i.e. diverse and novel designs need to be realistic, and, second, that more research is required to develop methods where the strength of text prompt variations and the resulting variations of the 3D designs share causal relations to some degree to improve the optimization.

  • 3 authors
·
Jul 3, 2023

Establishing Knowledge Preference in Language Models

Language models are known to encode a great amount of factual knowledge through pretraining. However, such knowledge might be insufficient to cater to user requests, requiring the model to integrate external knowledge sources and adhere to user-provided specifications. When answering questions about ongoing events, the model should use recent news articles to update its response; when asked to provide recommendations, the model should prioritize user specifications over retrieved product reviews; when some facts are edited in the model, the updated facts should override all prior knowledge learned by the model even if they are conflicting. In all of the cases above, the model faces a decision between its own parametric knowledge, (retrieved) contextual knowledge, and user instruction knowledge. In this paper, we (1) unify such settings into the problem of knowledge preference and define a three-level preference hierarchy over these knowledge sources; (2) compile a collection of existing datasets IfQA, MQuAKE, and MRQA covering a combination of settings (with/without user specifications, with/without context documents) to systematically evaluate how well models obey the intended knowledge preference; and (3) propose a dataset synthesis method that composes diverse question-answer pairs with user assumptions and related context to directly fine-tune LMs for instilling the hierarchy of knowledge. We demonstrate that a 7B model, fine-tuned on only a few thousand examples automatically generated by our proposed method, effectively achieves superior performance (more than 18% improvement across all evaluation benchmarks) in adhering to the desired knowledge preference hierarchy.

  • 6 authors
·
Jul 17, 2024

OpenECAD: An Efficient Visual Language Model for Editable 3D-CAD Design

Computer-aided design (CAD) tools are utilized in the manufacturing industry for modeling everything from cups to spacecraft. These programs are complex to use and typically require years of training and experience to master. Structured and well-constrained 2D sketches and 3D constructions are crucial components of CAD modeling. A well-executed CAD model can be seamlessly integrated into the manufacturing process, thereby enhancing production efficiency. Deep generative models of 3D shapes and 3D object reconstruction models have garnered significant research interest. However, most of these models produce discrete forms of 3D objects that are not editable. Moreover, the few models based on CAD operations often have substantial input restrictions. In this work, we fine-tuned pre-trained models to create OpenECAD models (0.55B, 0.89B, 2.4B and 3.1B), leveraging the visual, logical, coding, and general capabilities of visual language models. OpenECAD models can process images of 3D designs as input and generate highly structured 2D sketches and 3D construction commands, ensuring that the designs are editable. These outputs can be directly used with existing CAD tools' APIs to generate project files. To train our network, we created a series of OpenECAD datasets. These datasets are derived from existing public CAD datasets, adjusted and augmented to meet the specific requirements of vision language model (VLM) training. Additionally, we have introduced an approach that utilizes dependency relationships to define and generate sketches, further enriching the content and functionality of the datasets.

  • 3 authors
·
Jun 14, 2024

CADmium: Fine-Tuning Code Language Models for Text-Driven Sequential CAD Design

Computer-aided design (CAD) is the digital construction of 2D and 3D objects, and is central to a wide range of engineering and manufacturing applications like automobile and aviation. Despite its importance, CAD modeling remains largely a time-intensive, manual task. Recent works have attempted to automate this process with small transformer-based models and handcrafted CAD sequence representations. However, there has been little effort to leverage the potential of large language models (LLMs) for sequential CAD design. In this work, we introduce a new large-scale dataset of more than 170k CAD models annotated with high-quality, human-like descriptions generated with our pipeline based on GPT-4.1. Using this dataset, we fine-tune powerful code-LLMs to generate CAD sequences represented in a JSON-based format from natural language descriptions, demonstrating the viability and effectiveness of this approach for text-conditioned CAD generation. Because simple metrics often fail to reflect the quality of generated objects, we introduce geometric and topological metrics based on sphericity, mean curvature, and Euler characteristic to provide richer structural insights. Our experiments and ablation studies on both synthetic and human-annotated data demonstrate that CADmium is able to automate CAD design, drastically speeding up the design of new objects. The dataset, code, and fine-tuned models are available online.

  • 5 authors
·
Jul 13, 2025

DRAFT-ing Architectural Design Decisions using LLMs

Architectural Knowledge Management (AKM) is crucial for software development but remains challenging due to the lack of standardization and high manual effort. Architecture Decision Records (ADRs) provide a structured approach to capture Architecture Design Decisions (ADDs), but their adoption is limited due to the manual effort involved and insufficient tool support. Our previous work has shown that Large Language Models (LLMs) can assist in generating ADDs. However, simply prompting the LLM does not produce quality ADDs. Moreover, using third-party LLMs raises privacy concerns, while self-hosting them poses resource challenges. To this end, we experimented with different approaches like few-shot, retrieval-augmented generation (RAG) and fine-tuning to enhance LLM's ability to generate ADDs. Our results show that both techniques improve effectiveness. Building on this, we propose Domain Specific Retreival Augumented Few Shot Fine Tuninng, DRAFT, which combines the strengths of all these three approaches for more effective ADD generation. DRAFT operates in two phases: an offline phase that fine-tunes an LLM on generating ADDs augmented with retrieved examples and an online phase that generates ADDs by leveraging retrieved ADRs and the fine-tuned model. We evaluated DRAFT against existing approaches on a dataset of 4,911 ADRs and various LLMs and analyzed them using automated metrics and human evaluations. Results show DRAFT outperforms all other approaches in effectiveness while maintaining efficiency. Our findings indicate that DRAFT can aid architects in drafting ADDs while addressing privacy and resource constraints.

  • 5 authors
·
Apr 10, 2025

DESIGNER: Design-Logic-Guided Multidisciplinary Data Synthesis for LLM Reasoning

Large language models (LLMs) have achieved remarkable success in many natural language tasks but still struggle with complex, multi-step reasoning, particularly across diverse disciplines. Existing reasoning datasets often lack disciplinary breadth, reasoning depth, and diversity, and lack guiding principles for question synthesis. We propose DESIGNER: a DESIGN-logic-guidEd Reasoning data synthesis pipeline that leverages naturally available, extensive raw documents (e.g., book corpus and web corpus) to generate multidisciplinary challenging questions. We introduce the concept of "design logic" and instruct LLMs to mimic human educators' question-creation process, enabling automated synthesis of large-scale, high-difficulty questions. We use LLMs to reverse-engineer and abstract over 120,000 design logics from existing questions across various disciplines. By matching these design logics with source documents, we are able to create reasoning questions that far surpass the difficulty and diversity of existing datasets. Using this pipeline, we synthesized two large-scale reasoning datasets that span 75 disciplines: DLR-Book (3.04 million questions from the book corpus) and DLR-Web (1.66 million questions from the web corpus). Data analysis indicates that the questions synthesized by our method exhibit greater difficulty and diversity compared to those in the baseline datasets. We validate our synthesized data through supervised fine-tuning (SFT) on the Qwen3 and Llama3 model families. Our data substantially enhances their multidisciplinary reasoning capabilities, outperforming existing datasets. Notably, after SFT on our datasets, the base versions of these models even surpass their official instruction-tuned counterparts.

  • 11 authors
·
Aug 18, 2025

GenCAD: Image-Conditioned Computer-Aided Design Generation with Transformer-Based Contrastive Representation and Diffusion Priors

The creation of manufacturable and editable 3D shapes through Computer-Aided Design (CAD) remains a highly manual and time-consuming task, hampered by the complex topology of boundary representations of 3D solids and unintuitive design tools. While most work in the 3D shape generation literature focuses on representations like meshes, voxels, or point clouds, practical engineering applications demand the modifiability and manufacturability of CAD models and the ability for multi-modal conditional CAD model generation. This paper introduces GenCAD, a generative model that employs autoregressive transformers with a contrastive learning framework and latent diffusion models to transform image inputs into parametric CAD command sequences, resulting in editable 3D shape representations. Extensive evaluations demonstrate that GenCAD significantly outperforms existing state-of-the-art methods in terms of the unconditional and conditional generations of CAD models. Additionally, the contrastive learning framework of GenCAD facilitates the retrieval of CAD models using image queries from large CAD databases, which is a critical challenge within the CAD community. Our results provide a significant step forward in highlighting the potential of generative models to expedite the entire design-to-production pipeline and seamlessly integrate different design modalities.

  • 2 authors
·
Sep 8, 2024 2

An Old-Fashioned Framework for Machine Learning in Turbulence Modeling

The objective is to provide clear and well-motivated guidance to Machine Learning (ML) teams, founded on our experience in empirical turbulence modeling. Guidance is also needed for modeling outside ML. ML is not yet successful in turbulence modeling, and many papers have produced unusable proposals either due to errors in math or physics, or to severe overfitting. We believe that "Turbulence Culture" (TC) takes years to learn and is difficult to convey especially considering the modern lack of time for careful study; important facts which are self-evident after a career in turbulence research and modeling and extensive reading are easy to miss. In addition, many of them are not absolute facts, a consequence of the gaps in our understanding of turbulence and the weak connection of models to first principles. Some of the mathematical facts are rigorous, but the physical aspects often are not. Turbulence models are surprisingly arbitrary. Disagreement between experts confuses the new entrants. In addition, several key properties of the models are ascertained through non-trivial analytical properties of the differential equations, which puts them out of reach of purely data-driven ML-type approaches. The best example is the crucial behavior of the model at the edge of the turbulent region (ETR). The knowledge we wish to put out here may be divided into "Mission" and "Requirements," each combining physics and mathematics. Clear lists of "Hard" and "Soft" constraints are presented. A concrete example of how DNS data could be used, possibly allied with ML, is first carried through and illustrates the large number of decisions needed. Our focus is on creating effective products which will empower CFD, rather than on publications.

  • 1 authors
·
Aug 1, 2023

FailureSensorIQ: A Multi-Choice QA Dataset for Understanding Sensor Relationships and Failure Modes

We introduce FailureSensorIQ, a novel Multi-Choice Question-Answering (MCQA) benchmarking system designed to assess the ability of Large Language Models (LLMs) to reason and understand complex, domain-specific scenarios in Industry 4.0. Unlike traditional QA benchmarks, our system focuses on multiple aspects of reasoning through failure modes, sensor data, and the relationships between them across various industrial assets. Through this work, we envision a paradigm shift where modeling decisions are not only data-driven using statistical tools like correlation analysis and significance tests, but also domain-driven by specialized LLMs which can reason about the key contributors and useful patterns that can be captured with feature engineering. We evaluate the Industrial knowledge of over a dozen LLMs-including GPT-4, Llama, and Mistral-on FailureSensorIQ from different lens using Perturbation-Uncertainty-Complexity analysis, Expert Evaluation study, Asset-Specific Knowledge Gap analysis, ReAct agent using external knowledge-bases. Even though closed-source models with strong reasoning capabilities approach expert-level performance, the comprehensive benchmark reveals a significant drop in performance that is fragile to perturbations, distractions, and inherent knowledge gaps in the models. We also provide a real-world case study of how LLMs can drive the modeling decisions on 3 different failure prediction datasets related to various assets. We release: (a) expert-curated MCQA for various industrial assets, (b) FailureSensorIQ benchmark and Hugging Face leaderboard based on MCQA built from non-textual data found in ISO documents, and (c) LLMFeatureSelector, an LLM-based feature selection scikit-learn pipeline. The software is available at https://github.com/IBM/FailureSensorIQ.

  • 6 authors
·
Jun 3, 2025 1

Interactive Model Cards: A Human-Centered Approach to Model Documentation

Deep learning models for natural language processing (NLP) are increasingly adopted and deployed by analysts without formal training in NLP or machine learning (ML). However, the documentation intended to convey the model's details and appropriate use is tailored primarily to individuals with ML or NLP expertise. To address this gap, we conduct a design inquiry into interactive model cards, which augment traditionally static model cards with affordances for exploring model documentation and interacting with the models themselves. Our investigation consists of an initial conceptual study with experts in ML, NLP, and AI Ethics, followed by a separate evaluative study with non-expert analysts who use ML models in their work. Using a semi-structured interview format coupled with a think-aloud protocol, we collected feedback from a total of 30 participants who engaged with different versions of standard and interactive model cards. Through a thematic analysis of the collected data, we identified several conceptual dimensions that summarize the strengths and limitations of standard and interactive model cards, including: stakeholders; design; guidance; understandability & interpretability; sensemaking & skepticism; and trust & safety. Our findings demonstrate the importance of carefully considered design and interactivity for orienting and supporting non-expert analysts using deep learning models, along with a need for consideration of broader sociotechnical contexts and organizational dynamics. We have also identified design elements, such as language, visual cues, and warnings, among others, that support interactivity and make non-interactive content accessible. We summarize our findings as design guidelines and discuss their implications for a human-centered approach towards AI/ML documentation.

  • 4 authors
·
May 5, 2022

Experiments with Large Language Models on Retrieval-Augmented Generation for Closed-Source Simulation Software

Large Language Models (LLMs) are increasingly helpful in text generation, even writing code in programming languages based on user prompts written in natural language. They are even applied to generate simulation models for multibody systems from natural language. Research results suggest that LLMs surpass the mere replication of existing code examples, where some LLMs have been trained on an open-source multibody simulation code. However, for closed-source simulation software, such results are not to be expected as their ideas and concepts might differ from other publicly available ones. LLMs can hallucinate for knowledge-intensive tasks, such as model creation, which can lead to wrong responses. This is especially the case for the LLM unknown closed-source simulation software. The same applies to other internal knowledge kept private to protect intellectual property or data privacy. The Retrieval-Augmented Generation (RAG) approach might yield a solution for these knowledge-intensive tasks. This paper explores the application of RAG to closed-source simulation software and presents first experiments. After a brief introduction to LLMs, the RAG approach, and the simulation method applied by the close-source simulation software, several examples are provided to test LLMs' knowledge of the simulation software and the creation of simulation models using two RAG systems. The examples show promising results indicating the benefits of applying RAG systems to closed-source simulation software, helping to access their knowledge. Nevertheless, they also reveal gaps in the applied information and open questions for further research.

  • 2 authors
·
Feb 6, 2025

Digital Gene: Learning about the Physical World through Analytic Concepts

Reviewing the progress in artificial intelligence over the past decade, various significant advances (e.g. object detection, image generation, large language models) have enabled AI systems to produce more semantically meaningful outputs and achieve widespread adoption in internet scenarios. Nevertheless, AI systems still struggle when it comes to understanding and interacting with the physical world. This reveals an important issue: relying solely on semantic-level concepts learned from internet data (e.g. texts, images) to understand the physical world is far from sufficient -- machine intelligence currently lacks an effective way to learn about the physical world. This research introduces the idea of analytic concept -- representing the concepts related to the physical world through programs of mathematical procedures, providing machine intelligence a portal to perceive, reason about, and interact with the physical world. Except for detailing the design philosophy and providing guidelines for the application of analytic concepts, this research also introduce about the infrastructure that has been built around analytic concepts. I aim for my research to contribute to addressing these questions: What is a proper abstraction of general concepts in the physical world for machine intelligence? How to systematically integrate structured priors with neural networks to constrain AI systems to comply with physical laws?

  • 2 authors
·
Apr 5, 2025

AI-University: An LLM-based platform for instructional alignment to scientific classrooms

We introduce AI University (AI-U), a flexible framework for AI-driven course content delivery that adapts to instructors' teaching styles. At its core, AI-U fine-tunes a large language model (LLM) with retrieval-augmented generation (RAG) to generate instructor-aligned responses from lecture videos, notes, and textbooks. Using a graduate-level finite-element-method (FEM) course as a case study, we present a scalable pipeline to systematically construct training data, fine-tune an open-source LLM with Low-Rank Adaptation (LoRA), and optimize its responses through RAG-based synthesis. Our evaluation - combining cosine similarity, LLM-based assessment, and expert review - demonstrates strong alignment with course materials. We also have developed a prototype web application, available at https://my-ai-university.com, that enhances traceability by linking AI-generated responses to specific sections of the relevant course material and time-stamped instances of the open-access video lectures. Our expert model is found to have greater cosine similarity with a reference on 86% of test cases. An LLM judge also found our expert model to outperform the base Llama 3.2 model approximately four times out of five. AI-U offers a scalable approach to AI-assisted education, paving the way for broader adoption in higher education. Here, our framework has been presented in the setting of a class on FEM - a subject that is central to training PhD and Master students in engineering science. However, this setting is a particular instance of a broader context: fine-tuning LLMs to research content in science.

  • 8 authors
·
Apr 10, 2025 2

X-LoRA: Mixture of Low-Rank Adapter Experts, a Flexible Framework for Large Language Models with Applications in Protein Mechanics and Design

We report a mixture of expert strategy to create fine-tuned large language models using a deep layer-wise token-level approach based on low-rank adaptation (LoRA). Starting with a set of pre-trained LoRA adapters, we propose a gating strategy that uses the hidden states to dynamically mix adapted layers, allowing the resulting X-LoRA model to draw upon different capabilities and create never-before-used deep layer-wise combinations of adaptations are established to solve specific tasks. The design is inspired by the biological principles of universality and diversity, where neural network building blocks are reused in different hierarchical manifestations. Hence, the X-LoRA model can be easily implemented for any existing large language model (LLM) without a need for modifications of the underlying structure. We develop a tailored X-LoRA model that offers scientific capabilities including forward/inverse analysis tasks and enhanced reasoning capability, focused on biomaterial analysis, protein mechanics and design. The impact of this work include access to readily expandable, adaptable and changeable models with strong domain knowledge and the capability to integrate across areas of knowledge. With the X-LoRA model featuring experts in biology, mathematics, reasoning, bio-inspired materials, mechanics and materials, chemistry, and protein mechanics we conduct a series of physics-focused case studies. We examine knowledge recall, protein mechanics forward/inverse tasks, protein design, and adversarial agentic modeling including ontological knowledge graphs. The model is capable not only of making quantitative predictions of nanomechanical properties of proteins, but also reasons over the results and correctly predicts likely mechanisms that explain distinct molecular behaviors.

  • 2 authors
·
Feb 11, 2024

CAD-GPT: Synthesising CAD Construction Sequence with Spatial Reasoning-Enhanced Multimodal LLMs

Computer-aided design (CAD) significantly enhances the efficiency, accuracy, and innovation of design processes by enabling precise 2D and 3D modeling, extensive analysis, and optimization. Existing methods for creating CAD models rely on latent vectors or point clouds, which are difficult to obtain and costly to store. Recent advances in Multimodal Large Language Models (MLLMs) have inspired researchers to use natural language instructions and images for CAD model construction. However, these models still struggle with inferring accurate 3D spatial location and orientation, leading to inaccuracies in determining the spatial 3D starting points and extrusion directions for constructing geometries. This work introduces CAD-GPT, a CAD synthesis method with spatial reasoning-enhanced MLLM that takes either a single image or a textual description as input. To achieve precise spatial inference, our approach introduces a 3D Modeling Spatial Mechanism. This method maps 3D spatial positions and 3D sketch plane rotation angles into a 1D linguistic feature space using a specialized spatial unfolding mechanism, while discretizing 2D sketch coordinates into an appropriate planar space to enable precise determination of spatial starting position, sketch orientation, and 2D sketch coordinate translations. Extensive experiments demonstrate that CAD-GPT consistently outperforms existing state-of-the-art methods in CAD model synthesis, both quantitatively and qualitatively.

  • 7 authors
·
Dec 27, 2024

Agentic Deep Graph Reasoning Yields Self-Organizing Knowledge Networks

We present an agentic, autonomous graph expansion framework that iteratively structures and refines knowledge in situ. Unlike conventional knowledge graph construction methods relying on static extraction or single-pass learning, our approach couples a reasoning-native large language model with a continually updated graph representation. At each step, the system actively generates new concepts and relationships, merges them into a global graph, and formulates subsequent prompts based on its evolving structure. Through this feedback-driven loop, the model organizes information into a scale-free network characterized by hub formation, stable modularity, and bridging nodes that link disparate knowledge clusters. Over hundreds of iterations, new nodes and edges continue to appear without saturating, while centrality measures and shortest path distributions evolve to yield increasingly distributed connectivity. Our analysis reveals emergent patterns, such as the rise of highly connected 'hub' concepts and the shifting influence of 'bridge' nodes, indicating that agentic, self-reinforcing graph construction can yield open-ended, coherent knowledge structures. Applied to materials design problems, we present compositional reasoning experiments by extracting node-specific and synergy-level principles to foster genuinely novel knowledge synthesis, yielding cross-domain ideas that transcend rote summarization and strengthen the framework's potential for open-ended scientific discovery. We discuss other applications in scientific discovery and outline future directions for enhancing scalability and interpretability.

  • 1 authors
·
Feb 18, 2025

Generating a Low-code Complete Workflow via Task Decomposition and RAG

AI technologies are moving rapidly from research to production. With the popularity of Foundation Models (FMs) that generate text, images, and video, AI-based systems are increasing their complexity. Compared to traditional AI-based software, systems employing FMs, or GenAI-based systems, are more difficult to design due to their scale and versatility. This makes it necessary to document best practices, known as design patterns in software engineering, that can be used across GenAI applications. Our first contribution is to formalize two techniques, Task Decomposition and Retrieval-Augmented Generation (RAG), as design patterns for GenAI-based systems. We discuss their trade-offs in terms of software quality attributes and comment on alternative approaches. We recommend to AI practitioners to consider these techniques not only from a scientific perspective but also from the standpoint of desired engineering properties such as flexibility, maintainability, safety, and security. As a second contribution, we describe our industry experience applying Task Decomposition and RAG to build a complex real-world GenAI application for enterprise users: Workflow Generation. The task of generating workflows entails generating a specific plan using data from the system environment, taking as input a user requirement. As these two patterns affect the entire AI development cycle, we explain how they impacted the dataset creation, model training, model evaluation, and deployment phases.

ServiceNow-AI ServiceNow-AI
·
Nov 29, 2024 2