Polymeric materials are central to modern technologies, with applications ranging from energy to health and transportation. Although AI has made significant advances in materials discovery, the hierarchical structure of polymers across multiple length scales makes them inherently difficult to represent in a unified and physically meaningful way. Here we introduce HiPoly, a polymer-native AI framework that processes complete polymer descriptions through a three-level hierarchical graph architecture built on the G2RINS representation. HiPoly encodes stochastic inter-monomer connectivity, composition, and molecular weight directly within its architecture, using physically motivated design principles that mirror the multi-scale nature of polymeric systems. The framework establishes an end-to-end AI-driven workflow from experimental formulation data to property prediction, generative molecular design, and physics-based validation through molecular simulations, all unified by a single polymer representation. We demonstrate state-of-the-art prediction accuracy for thermophysical properties of multi-component polymer systems, with ablation studies confirming that each hierarchical design choice contributes independently to model performance. As an example, the generative design pathway is applied here to the discovery of sustainable alternatives to persistent fluorinated polymers, where it is possible to identify and independently validate PFAS-free candidates with target surface-energy properties. This work demonstrates how polymer-native AI can accelerate discovery by linking representation, prediction, and design across complex polymer chemistries.
Generative design interfaces increasingly expose semantic controls that let users steer output with concepts such as "more elegant" or "more minimalist," typically encoded by a vision-language model (VLM). A practical question is whether state-of-the-art VLMs represent objects consistently in terms of the same concept. We audit 6 VLMs by ranking untextured 3D objects along Kansei adjective pairs, where Kansei describes affective impressions of product form, with each axis defined as the difference between the text representations of its two poles. Geometric pairs serve as positive controls, and pairs of unrelated adjectives establish an empirical null. Across 10 categories of ShapeNet database, affective axes converge above the null (mean pairwise rank correlation 0.36 vs. 0.14) but below the geometric ceiling (0.44). The agreement between models is partial and highly uneven: on the three axes shared by all categories, mean convergence ranges from 0.21 for bookshelves to 0.51 for jars. Convergence depends primarily on whether a category's representational variation aligns with the semantic direction being evaluated, rather than simply on how much the objects vary in shape overall. Cross-model convergence does not imply agreement with human judgments. Based on our findings, we implement a UI prototype that shows how the audit can inform which Kansei descriptors to expose as controls for a given object class and which to withhold.
Topology optimization, using both physic-based approaches and deep learning surrogates, serves as a cornerstone for generative design agents in cyber-manufacturing systems. While deep learning surrogates have gained widespread adoption due to their speed in online design generation, this work demonstrates their vulnerability under input perturbations. In this work, we present a mechanics-grounded reliability evaluation framework that formulates an adversarial agent targeting the generative design models. We investigate a strictly non-intrusive threat model where bounded perturbations are introduced exclusively to the initial-density channel, while physical boundary conditions, compliance-gradient channels, network architectures, and solver routines remain intact. Evaluating surrogate models across U-Net, convolutional, and generative architectures with varying physics-gradient conditioning depths demonstrates that bounded initialization noise can cause catastrophic mechanical failure, increasing compliance by multiple orders of magnitude through severed load paths and disconnected supports. Furthermore, we discover that incorporating richer physics-gradient conditioning in the deep learning surrogates does not guarantee monotonic robustness across surrogate families. Finally, physics-in-the-loop recovery demonstrates that initializing the classical SIMP optimizer with perturbed topologies mitigates design performance degradation, having a high probability of restoring compliance to near-baseline levels across tested instances. These findings demonstrate that learned surrogates should serve as physics-verified initializers instead of replacing physics-based solvers entirely in a resilient cyber-manufacturing system. Moreover, the proposed adversarial agent provides a foundation for future training generative design agents robust against noise and targeted perturbations.
An inner hood panel must meet a deflection target, stay below a stress limit, and hit a mass target. Machine-learned surrogates have made the forward direction, geometry to performance, fast and routine. The inverse direction, producing geometry from a stated requirement, remains largely unaddressed for industrial parts whose design space is organized into discrete topology families rather than a continuous parameterization. This work presents a two-stage pipeline for that inverse problem. A reachability stage determines which topology families can satisfy a given requirement vector. A conditional variational autoencoder then generates point-cloud geometry within a selected family, and a neural-operator surrogate estimates the performance of each candidate. The pipeline is built entirely from public data and freely available compute, and is deployed as an interactive tool. The pipeline works, with qualifications that are reported as primary findings rather than caveats. The surrogate is accurate in aggregate, but its error is comparable to the performance differences it is asked to discriminate, which bounds what can be claimed for any individual generated design. That ratio of surrogate error to within-class signal is argued to be the quantity that determines whether a pipeline of this kind can work at all.
Translating unstructured clinical prescriptions into patient-specific foot orthoses (FOs) is hindered by a semantic-physical misalignment: high-level clinical intent is not mapped deterministically onto the 3D geometric parameters of the orthosis, and existing design workflows remain dependent on manual expertise with no instantaneous biomechanical validation. We present TANS-FO, a research prototype-a modular pipeline with closed-loop feedback for computational design automation of customized FOs, not a clinically validated therapeutic device. A Text-Aligned Neural Surrogate (TANS) uses cross-attention to project clinical-text embeddings onto a continuous lattice-density field, while a Graph Neural Network (GNN) surrogate predicts plantar stress in real time as a substitute for Finite Element Analysis (FEA). The framework is anchored on the open-access PicoFoot-5K anthropometric database (5,230 subjects; 30+ anatomical parameters). Under standardized quasi-static loading, the GNN surrogate agrees with an Abaqus reference solver (R^2 = 0.94), and the full pipeline synthesizes manufacturing-ready lattice insoles within minutes. On the Male 18-40 cohort, the proposed system attains a surrogate-predicted peak-pressure reduction of 34.7% over parametric CAD, with a fit error of 0.42 mm. Separately, an exploratory feasibility observation (n = 12; 2-week follow-up; no control group) using VAS pain reporting indicates short-term comfort improvement (VAS 6.4 -> 2.1), but this data is explicitly classified as preliminary observational evidence only-not evidence of clinical efficacy.
Disordered metamaterials feature microstructures with inherent randomness and irregularity, enabling them to achieve broader property coverage and superior performance unavailable in their regular counterparts. Despite their promise, designing disordered microstructures is substantially harder than designing regular ones. Their design remains trapped between manual parameterizations with limited expressiveness, and generative AI that is data-hungry and struggles to generalize. To address these limitations, we propose a generative design framework based on Neural Cellular Automata that dynamically grows complex microstructures through learned local interaction rules, inspired by the self-organizing processes in natural materials. This framework requires only a single training template, yet accommodates diverse disordered microstructures and adapts to irregular domains and arbitrary discretizations. By manipulating the learned local rules, we can steer the growth process to generate microstructures unseen during training, providing control over orientation, anisotropy, and directional thickness without retraining. As a dynamic, local growth process, it naturally produces spatially varying microstructures that transition smoothly to enable location-specific mechanical properties. We demonstrate this in a multiscale mechanical cloaking design, where microstructures vary across the space to meet an optimized heterogeneous property distribution. Our design enables excellent cloaking performance without complicated post-processing and incompatible assembly common in existing methods. This data-efficient, generalizable approach opens access to previously intractable disordered materials for biomedical implants and soft robotics.
Luuk Oerlemans, Steven Westerhof, Theo Hofmancs.AI cs.AR cs.CE cs.ET cs.RO
This article addresses the combinatorial complexity inherent in modern high-tech system design by presenting automation-in-design (AiD) as a transformative paradigm. We propose computational design synthesis (CDS), a framework utilising deep learning and generative AI to automate the creation of novel systems. Two case studies (e-drive system design and spatial dimensioning problem) serve as proof-points for this approach. The AI-driven methods used in the case studies represent a fundamental shift in engineering, advancing from simulation-based optimisation towards autonomous design with minimal human supervision.
While generative AI has achieved remarkable success in solving problems with verifiable solutions, generating physical art that satisfies both strict geometric constraints and subjective visual aesthetics remains a challenge. This paper presents an approach to tackle these difficulties in the domain of computational origami, a mathematically rigid environment that grounds artistic design within the equations of flat foldability. We present COrigami, an end-to-end AI-driven pipeline that assists the design cycle by generating crease patterns from natural language. Our pipeline involves generating a semantic stick figure, computing a base packing, solving for a flat-foldable crease pattern, shaping the flat-folded crease pattern, and refining the generated model using reinforcement learning driven by an autonomous aesthetic evaluation loop. Our system acts as a highly effective collaborative assistant, generating structural starting points that human artists can further expand and shape. By integrating algorithmic optimisation with autonomous aesthetic critique, this work demonstrates how AI systems can satisfy multi-objective physical constraints to enable reliable, mathematically grounded co-creativity.
Recent advances in large language models (LLMs) have demonstrated significant potential in supporting engineering design tasks, including computer-aided design (CAD) automation. However, most existing LLM-based 3D CAD generation approaches primarily focus on geometric precision and instruction-following performance, often overlooking the fundamental aspect of creative design exploration. This study presents a TRIZ-inspired text-to-CAD framework that leverages LLMs to generate high-quality, editable CAD models while systematically exploring creative design alternatives. The framework integrates the Theory of Inventive Problem Solving (TRIZ)-embedding deep human insights from extensive patent records-into LLM prompting strategies, enabling autonomous generation of innovative CAD variants that address technical contradictions. Through a comprehensive three-stage pipeline of design generation, enhancement, and optimization, the framework produces structurally diverse CAD models from well-crafted prompts. The present study implements and evaluates the first two stages, while positioning the design optimization stage as future work. A product design case study (chair) demonstrates that the TRIZ-inspired text-to-CAD framework generates multiple creative design alternatives by systematically applying TRIZ inventive principles such as segmentation, anti-weight, dynamics, and composite materials, achieving 4.0-14.7% mass reduction across all enhanced designs while maintaining structural integrity. The key findings suggest that integrating systematic innovation methodologies with LLM-based 3D CAD generation bridges the gap between precision-focused synthesis and creativity-focused exploration, advancing toward autonomous design systems where AI makes design decisions independently, supporting human decision-making in human-AI collaborative design for engineering applications.
Haolin Li, Yuyang Miao, Menglei Li +9cs.AI cond-mat.mtrl-sci cs.LG
Architected metamaterials derive their functions from structure, creating vast opportunities to program physical responses through topology design. However, existing design methods are often tailored to individual design problems, making limited use of topology knowledge for effective and broadly applicable design as objectives, constraints, and physical functions change. Here we introduce Generative Topology Optimization (GenTO), a unified framework that turns a learned topology prior into a reusable design engine. GenTO trains a diffusion model on a large full-order topology dataset and then iteratively steers the resulting topology distribution toward task-specific high-performing regions using user-defined physical objectives and constraints. This shifts the object of optimization from a single structure to a task-adapted topology distribution. Across topology design problems spanning thermal extremization, multi-objective morphology control, property-targeted auxetic design, and vibration transmission design, GenTO reuses pretrained topology priors for heterogeneous tasks, preserves structural diversity, and reaches high-performing solutions supported by numerical benchmarks and experimental validation. These results establish reusable topology knowledge as a unified principle for effective and scalable architected metamaterial design.
Patrick Krüger, Hanno Gottschalk, Werner Krebs +1cs.AI
The need to burn 100% H2 in high efficient gas turbines featuring low NOx combustion in premix mode require the complete redesign of the combustion system to ensure stable operation without any flashback. Since all engine frames featuring a power range from 4 MW up to 600 MW are affected, a huge design effort is expected. To reduce this effort, especially to transfer knowledge between the different engine classes, generative design methods using latest AI technology will provide promising potential. In this work, this challenge is approached utilizing the current advances in generative artificial intelligence. We train an Invertible Neural Network (INN) on an expandable database of geometrically parameterized combustor designs with simulated performance labels. Utilizing the INN in its inverse direction, multiple design proposals are generated which fulfill specified performance labels.