Daily Papers

Spider silks are remarkable materials characterized by superb mechanical properties such as strength, extensibility and lightweightedness. Yet, to date, limited models are available to fully explore sequence-property relationships for analysis and design. Here we propose a custom generative large-language model to enable design of novel spider silk protein sequences to meet complex combinations of target mechanical properties. The model, pretrained on a large set of protein sequences, is fine-tuned on ~1,000 major ampullate spidroin (MaSp) sequences for which associated fiber-level mechanical properties exist, to yield an end-to-end forward and inverse generative strategy. Performance is assessed through: (1), a novelty analysis and protein type classification for generated spidroin sequences through BLAST searches, (2) property evaluation and comparison with similar sequences, (3) comparison of molecular structures, as well as, and (4) a detailed sequence motif analyses. We generate silk sequences with property combinations that do not exist in nature, and develop a deep understanding the mechanistic roles of sequence patterns in achieving overarching key mechanical properties (elastic modulus, strength, toughness, failure strain). The model provides an efficient approach to expand the silkome dataset, facilitating further sequence-structure analyses of silks, and establishes a foundation for synthetic silk design and optimization.

Spider webs are incredible biological structures, comprising thin but strong silk filament and arranged into complex hierarchical architectures with striking mechanical properties (e.g., lightweight but high strength, achieving diverse mechanical responses). While simple 2D orb webs can easily be mimicked, the modeling and synthesis of 3D-based web structures remain challenging, partly due to the rich set of design features. Here we provide a detailed analysis of the heterogenous graph structures of spider webs, and use deep learning as a way to model and then synthesize artificial, bio-inspired 3D web structures. The generative AI models are conditioned based on key geometric parameters (including average edge length, number of nodes, average node degree, and others). To identify graph construction principles, we use inductive representation sampling of large experimentally determined spider web graphs, to yield a dataset that is used to train three conditional generative models: 1) An analog diffusion model inspired by nonequilibrium thermodynamics, with sparse neighbor representation, 2) a discrete diffusion model with full neighbor representation, and 3) an autoregressive transformer architecture with full neighbor representation. All three models are scalable, produce complex, de novo bio-inspired spider web mimics, and successfully construct graphs that meet the design objectives. We further propose algorithm that assembles web samples produced by the generative models into larger-scale structures based on a series of geometric design targets, including helical and parametric shapes, mimicking, and extending natural design principles towards integration with diverging engineering objectives. Several webs are manufactured using 3D printing and tested to assess mechanical properties.

The remarkable mechanical properties of spider silk, including its tensile strength and extensibility, are primarily governed by the repetitive regions of the proteins that constitute the fiber, the major ampullate spidroins (MaSps). However, establishing correlations between mechanical characteristics and repeat sequences is challenging due to the intricate sequence-structure-function relationships of MaSps and the limited availability of annotated datasets. In this study, we present a novel computational framework for designing MaSp repeat sequences with customizable mechanical properties. To achieve this, we developed a lightweight GPT-based generative model by distilling the pre-trained ProtGPT2 protein language model. The distilled model was subjected to multilevel fine-tuning using curated subsets of the Spider Silkome dataset. Specifically, we adapt the model for MaSp repeat generation using 6,000 MaSp repeat sequences and further refine it with 572 repeats associated with experimentally determined fiber-level mechanical properties. Our model generates biologically plausible MaSp repeat regions tailored to specific mechanical properties while also predicting those properties for given sequences. Validation includes sequence-level analysis, assessing physicochemical attributes and expected distribution of key motifs as well as secondary structure compositions. A correlation study using BLAST on the Spider Silkome dataset and a test set of MaSp repeats with known mechanical properties further confirmed the predictive accuracy of the model. This framework advances the rational design of spider silk-inspired biomaterials, offering a versatile tool for engineering protein sequences with tailored mechanical attributes.

Sewing patterns, the essential blueprints for fabric cutting and tailoring, act as a crucial bridge between design concepts and producible garments. However, existing uni-modal sewing pattern generation models struggle to effectively encode complex design concepts with a multi-modal nature and correlate them with vectorized sewing patterns that possess precise geometric structures and intricate sewing relations. In this work, we propose a novel sewing pattern generation approach Design2GarmentCode based on Large Multimodal Models (LMMs), to generate parametric pattern-making programs from multi-modal design concepts. LMM offers an intuitive interface for interpreting diverse design inputs, while pattern-making programs could serve as well-structured and semantically meaningful representations of sewing patterns, and act as a robust bridge connecting the cross-domain pattern-making knowledge embedded in LMMs with vectorized sewing patterns. Experimental results demonstrate that our method can flexibly handle various complex design expressions such as images, textual descriptions, designer sketches, or their combinations, and convert them into size-precise sewing patterns with correct stitches. Compared to previous methods, our approach significantly enhances training efficiency, generation quality, and authoring flexibility.

We propose a method to estimate the mechanical parameters of fabrics using a casual capture setup with a depth camera. Our approach enables to create mechanically-correct digital representations of real-world textile materials, which is a fundamental step for many interactive design and engineering applications. As opposed to existing capture methods, which typically require expensive setups, video sequences, or manual intervention, our solution can capture at scale, is agnostic to the optical appearance of the textile, and facilitates fabric arrangement by non-expert operators. To this end, we propose a sim-to-real strategy to train a learning-based framework that can take as input one or multiple images and outputs a full set of mechanical parameters. Thanks to carefully designed data augmentation and transfer learning protocols, our solution generalizes to real images despite being trained only on synthetic data, hence successfully closing the sim-to-real loop.Key in our work is to demonstrate that evaluating the regression accuracy based on the similarity at parameter space leads to an inaccurate distances that do not match the human perception. To overcome this, we propose a novel metric for fabric drape similarity that operates on the image domain instead on the parameter space, allowing us to evaluate our estimation within the context of a similarity rank. We show that out metric correlates with human judgments about the perception of drape similarity, and that our model predictions produce perceptually accurate results compared to the ground truth parameters.

Through evolution, nature has presented a set of remarkable protein materials, including elastins, silks, keratins and collagens with superior mechanical performances that play crucial roles in mechanobiology. However, going beyond natural designs to discover proteins that meet specified mechanical properties remains challenging. Here we report a generative model that predicts protein designs to meet complex nonlinear mechanical property-design objectives. Our model leverages deep knowledge on protein sequences from a pre-trained protein language model and maps mechanical unfolding responses to create novel proteins. Via full-atom molecular simulations for direct validation, we demonstrate that the designed proteins are novel, and fulfill the targeted mechanical properties, including unfolding energy and mechanical strength, as well as the detailed unfolding force-separation curves. Our model offers rapid pathways to explore the enormous mechanobiological protein sequence space unconstrained by biological synthesis, using mechanical features as target to enable the discovery of protein materials with superior mechanical properties.

Realistic digital garment modeling remains a labor-intensive task due to the intricate process of translating 2D sewing patterns into high-fidelity, simulation-ready 3D garments. We introduce GarmageNet, a unified generative framework that automates the creation of 2D sewing patterns, the construction of sewing relationships, and the synthesis of 3D garment initializations compatible with physics-based simulation. Central to our approach is Garmage, a novel garment representation that encodes each panel as a structured geometry image, effectively bridging the semantic and geometric gap between 2D structural patterns and 3D garment shapes. GarmageNet employs a latent diffusion transformer to synthesize panel-wise geometry images and integrates GarmageJigsaw, a neural module for predicting point-to-point sewing connections along panel contours. To support training and evaluation, we build GarmageSet, a large-scale dataset comprising over 10,000 professionally designed garments with detailed structural and style annotations. Our method demonstrates versatility and efficacy across multiple application scenarios, including scalable garment generation from multi-modal design concepts (text prompts, sketches, photographs), automatic modeling from raw flat sewing patterns, pattern recovery from unstructured point clouds, and progressive garment editing using conventional instructions-laying the foundation for fully automated, production-ready pipelines in digital fashion. Project page: https://style3d.github.io/garmagenet.

In this paper, we propose a novel virtual try-on from unconstrained designs (ucVTON) task to enable photorealistic synthesis of personalized composite clothing on input human images. Unlike prior arts constrained by specific input types, our method allows flexible specification of style (text or image) and texture (full garment, cropped sections, or texture patches) conditions. To address the entanglement challenge when using full garment images as conditions, we develop a two-stage pipeline with explicit disentanglement of style and texture. In the first stage, we generate a human parsing map reflecting the desired style conditioned on the input. In the second stage, we composite textures onto the parsing map areas based on the texture input. To represent complex and non-stationary textures that have never been achieved in previous fashion editing works, we first propose extracting hierarchical and balanced CLIP features and applying position encoding in VTON. Experiments demonstrate superior synthesis quality and personalization enabled by our method. The flexible control over style and texture mixing brings virtual try-on to a new level of user experience for online shopping and fashion design.

Apparel's significant role in human appearance underscores the importance of garment digitalization for digital human creation. Recent advances in 3D content creation are pivotal for digital human creation. Nonetheless, garment generation from text guidance is still nascent. We introduce a text-driven 3D garment generation framework, DressCode, which aims to democratize design for novices and offer immense potential in fashion design, virtual try-on, and digital human creation. For our framework, we first introduce SewingGPT, a GPT-based architecture integrating cross-attention with text-conditioned embedding to generate sewing patterns with text guidance. We also tailored a pre-trained Stable Diffusion for high-quality, tile-based PBR texture generation. By leveraging a large language model, our framework generates CG-friendly garments through natural language interaction. Our method also facilitates pattern completion and texture editing, simplifying the process for designers by user-friendly interaction. With comprehensive evaluations and comparisons with other state-of-the-art methods, our method showcases the best quality and alignment with input prompts. User studies further validate our high-quality rendering results, highlighting its practical utility and potential in production settings.

Recent research interest in the learning-based processing of garments, from virtual fitting to generation and reconstruction, stumbles on a scarcity of high-quality public data in the domain. We contribute to resolving this need by presenting the first large-scale synthetic dataset of 3D made-to-measure garments with sewing patterns, as well as its generation pipeline. GarmentCodeData contains 115,000 data points that cover a variety of designs in many common garment categories: tops, shirts, dresses, jumpsuits, skirts, pants, etc., fitted to a variety of body shapes sampled from a custom statistical body model based on CAESAR, as well as a standard reference body shape, applying three different textile materials. To enable the creation of datasets of such complexity, we introduce a set of algorithms for automatically taking tailor's measures on sampled body shapes, sampling strategies for sewing pattern design, and propose an automatic, open-source 3D garment draping pipeline based on a fast XPBD simulator, while contributing several solutions for collision resolution and drape correctness to enable scalability. Project Page: https://igl.ethz.ch/projects/GarmentCodeData/

We introduce Mesh Silksong, a compact and efficient mesh representation tailored to generate the polygon mesh in an auto-regressive manner akin to silk weaving. Existing mesh tokenization methods always produce token sequences with repeated vertex tokens, wasting the network capability. Therefore, our approach tokenizes mesh vertices by accessing each mesh vertice only once, reduces the token sequence's redundancy by 50\%, and achieves a state-of-the-art compression rate of approximately 22\%. Furthermore, Mesh Silksong produces polygon meshes with superior geometric properties, including manifold topology, watertight detection, and consistent face normals, which are critical for practical applications. Experimental results demonstrate the effectiveness of our approach, showcasing not only intricate mesh generation but also significantly improved geometric integrity.

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.

Complex hierarchical structures composed of simple nanoscale building blocks form the basis of most biological materials. Here we demonstrate how analogies between seemingly different fields enable the understanding of general principles by which functional properties in hierarchical systems emerge, similar to an analogy learning process. Specifically, natural hierarchical materials like spider silk exhibit properties comparable to classical music in terms of their hierarchical structure and function. As a comparative tool here we apply hierarchical ontology logs (olog) that follow a rigorous mathematical formulation based on category theory to provide an insightful system representation by expressing knowledge in a conceptual map. We explain the process of analogy creation, draw connections at several levels of hierarchy and identify similar patterns that govern the structure of the hierarchical systems silk and music and discuss the impact of the derived analogy for nanotechnology.

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 .

The discovery of novel mechanical metamaterials, whose properties are dominated by their engineered structures rather than chemical composition, is a knowledge-intensive and resource-demanding process. To accelerate the design of novel metamaterials, we present MetaScientist, a human-in-the-loop system that integrates advanced AI capabilities with expert oversight with two primary phases: (1) hypothesis generation, where the system performs complex reasoning to generate novel and scientifically sound hypotheses, supported with domain-specific foundation models and inductive biases retrieved from existing literature; (2) 3D structure synthesis, where a 3D structure is synthesized with a novel 3D diffusion model based on the textual hypothesis and refined it with a LLM-based refinement model to achieve better structure properties. At each phase, domain experts iteratively validate the system outputs, and provide feedback and supplementary materials to ensure the alignment of the outputs with scientific principles and human preferences. Through extensive evaluation from human scientists, MetaScientist is able to deliver novel and valid mechanical metamaterial designs that have the potential to be highly impactful in the metamaterial field.

We introduce Garment3DGen a new method to synthesize 3D garment assets from a base mesh given a single input image as guidance. Our proposed approach allows users to generate 3D textured clothes based on both real and synthetic images, such as those generated by text prompts. The generated assets can be directly draped and simulated on human bodies. First, we leverage the recent progress of image to 3D diffusion methods to generate 3D garment geometries. However, since these geometries cannot be utilized directly for downstream tasks, we propose to use them as pseudo ground-truth and set up a mesh deformation optimization procedure that deforms a base template mesh to match the generated 3D target. Second, we introduce carefully designed losses that allow the input base mesh to freely deform towards the desired target, yet preserve mesh quality and topology such that they can be simulated. Finally, a texture estimation module generates high-fidelity texture maps that are globally and locally consistent and faithfully capture the input guidance, allowing us to render the generated 3D assets. With Garment3DGen users can generate the textured 3D garment of their choice without the need of artist intervention. One can provide a textual prompt describing the garment they desire to generate a simulation-ready 3D asset. We present a plethora of quantitative and qualitative comparisons on various assets both real and generated and provide use-cases of how one can generate simulation-ready 3D garments.

We introduce ChatGarment, a novel approach that leverages large vision-language models (VLMs) to automate the estimation, generation, and editing of 3D garments from images or text descriptions. Unlike previous methods that struggle in real-world scenarios or lack interactive editing capabilities, ChatGarment can estimate sewing patterns from in-the-wild images or sketches, generate them from text descriptions, and edit garments based on user instructions, all within an interactive dialogue. These sewing patterns can then be draped into 3D garments, which are easily animatable and simulatable. This is achieved by finetuning a VLM to directly generate a JSON file that includes both textual descriptions of garment types and styles, as well as continuous numerical attributes. This JSON file is then used to create sewing patterns through a programming parametric model. To support this, we refine the existing programming model, GarmentCode, by expanding its garment type coverage and simplifying its structure for efficient VLM fine-tuning. Additionally, we construct a large-scale dataset of image-to-sewing-pattern and text-to-sewing-pattern pairs through an automated data pipeline. Extensive evaluations demonstrate ChatGarment's ability to accurately reconstruct, generate, and edit garments from multimodal inputs, highlighting its potential to revolutionize workflows in fashion and gaming applications. Code and data will be available at https://chatgarment.github.io/.

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.

Designing de novo proteins beyond those found in nature holds significant promise for advancements in both scientific and engineering applications. Current methodologies for protein design often rely on AI-based models, such as surrogate models that address end-to-end problems by linking protein structure to material properties or vice versa. However, these models frequently focus on specific material objectives or structural properties, limiting their flexibility when incorporating out-of-domain knowledge into the design process or comprehensive data analysis is required. In this study, we introduce ProtAgents, a platform for de novo protein design based on Large Language Models (LLMs), where multiple AI agents with distinct capabilities collaboratively address complex tasks within a dynamic environment. The versatility in agent development allows for expertise in diverse domains, including knowledge retrieval, protein structure analysis, physics-based simulations, and results analysis. The dynamic collaboration between agents, empowered by LLMs, provides a versatile approach to tackling protein design and analysis problems, as demonstrated through diverse examples in this study. The problems of interest encompass designing new proteins, analyzing protein structures and obtaining new first-principles data -- natural vibrational frequencies -- via physics simulations. The concerted effort of the system allows for powerful automated and synergistic design of de novo proteins with targeted mechanical properties. The flexibility in designing the agents, on one hand, and their capacity in autonomous collaboration through the dynamic LLM-based multi-agent environment on the other hand, unleashes great potentials of LLMs in addressing multi-objective materials problems and opens up new avenues for autonomous materials discovery and design.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

Traditional molecular string representations, such as SMILES, often pose challenges for AI-driven molecular design due to their non-sequential depiction of molecular substructures. To address this issue, we introduce Sequential Attachment-based Fragment Embedding (SAFE), a novel line notation for chemical structures. SAFE reimagines SMILES strings as an unordered sequence of interconnected fragment blocks while maintaining full compatibility with existing SMILES parsers. It streamlines complex generative tasks, including scaffold decoration, fragment linking, polymer generation, and scaffold hopping, while facilitating autoregressive generation for fragment-constrained design, thereby eliminating the need for intricate decoding or graph-based models. We demonstrate the effectiveness of SAFE by training an 87-million-parameter GPT2-like model on a dataset containing 1.1 billion SAFE representations. Through extensive experimentation, we show that our SAFE-GPT model exhibits versatile and robust optimization performance. SAFE opens up new avenues for the rapid exploration of chemical space under various constraints, promising breakthroughs in AI-driven molecular design.

Batik, a unique blend of art and craftsmanship, is a distinct artistic and technological creation for Indonesian society. Research on batik motifs is primarily focused on classification. However, further studies may extend to the synthesis of batik patterns. Generative Adversarial Networks (GANs) have been an important deep learning model for generating synthetic data, but often face challenges in the stability and consistency of results. This research focuses on the use of StyleGAN2-Ada and Diffusion techniques to produce realistic and high-quality synthetic batik patterns. StyleGAN2-Ada is a variation of the GAN model that separates the style and content aspects in an image, whereas diffusion techniques introduce random noise into the data. In the context of batik, StyleGAN2-Ada and Diffusion are used to produce realistic synthetic batik patterns. This study also made adjustments to the model architecture and used a well-curated batik dataset. The main goal is to assist batik designers or craftsmen in producing unique and quality batik motifs with efficient production time and costs. Based on qualitative and quantitative evaluations, the results show that the model tested is capable of producing authentic and quality batik patterns, with finer details and rich artistic variations. The dataset and code can be accessed here:https://github.com/octadion/diffusion-stylegan2-ada-pytorch

Controllable layout generation refers to the process of creating a plausible visual arrangement of elements within a graphic design (e.g., document and web designs) with constraints representing design intentions. Although recent diffusion-based models have achieved state-of-the-art FID scores, they tend to exhibit more pronounced misalignment compared to earlier transformer-based models. In this work, we propose the LAyout Constraint diffusion modEl (LACE), a unified model to handle a broad range of layout generation tasks, such as arranging elements with specified attributes and refining or completing a coarse layout design. The model is based on continuous diffusion models. Compared with existing methods that use discrete diffusion models, continuous state-space design can enable the incorporation of differentiable aesthetic constraint functions in training. For conditional generation, we introduce conditions via masked input. Extensive experiment results show that LACE produces high-quality layouts and outperforms existing state-of-the-art baselines.

Recent advances in 3D AIGC have shown promise in directly creating 3D objects from text and images, offering significant cost savings in animation and product design. However, detailed edit and customization of 3D assets remains a long-standing challenge. Specifically, 3D Generation methods lack the ability to follow finely detailed instructions as precisely as their 2D image creation counterparts. Imagine you can get a toy through 3D AIGC but with undesired accessories and dressing. To tackle this challenge, we propose a novel pipeline called Tailor3D, which swiftly creates customized 3D assets from editable dual-side images. We aim to emulate a tailor's ability to locally change objects or perform overall style transfer. Unlike creating 3D assets from multiple views, using dual-side images eliminates conflicts on overlapping areas that occur when editing individual views. Specifically, it begins by editing the front view, then generates the back view of the object through multi-view diffusion. Afterward, it proceeds to edit the back views. Finally, a Dual-sided LRM is proposed to seamlessly stitch together the front and back 3D features, akin to a tailor sewing together the front and back of a garment. The Dual-sided LRM rectifies imperfect consistencies between the front and back views, enhancing editing capabilities and reducing memory burdens while seamlessly integrating them into a unified 3D representation with the LoRA Triplane Transformer. Experimental results demonstrate Tailor3D's effectiveness across various 3D generation and editing tasks, including 3D generative fill and style transfer. It provides a user-friendly, efficient solution for editing 3D assets, with each editing step taking only seconds to complete.

One of the grand challenges of deep learning is the requirement to obtain large labeled training data sets. While synthesized data sets can be used to overcome this challenge, it is important that these data sets close the reality gap, i.e., a model trained on synthetic image data is able to generalize to real images. Whereas, the reality gap can be considered bridged in several application scenarios, training on synthesized images containing reflecting materials requires further research. Since the appearance of objects with reflecting materials is dominated by the surrounding environment, this interaction needs to be considered during training data generation. Therefore, within this paper we examine the effect of reflecting materials in the context of synthetic image generation for training object detectors. We investigate the influence of rendering approach used for image synthesis, the effect of domain randomization, as well as the amount of used training data. To be able to compare our results to the state-of-the-art, we focus on indoor scenes as they have been investigated extensively. Within this scenario, bathroom furniture is a natural choice for objects with reflecting materials, for which we report our findings on real and synthetic testing data.

In order to fully harness the potential of machine learning, it is crucial to establish a system that renders the field more accessible and less daunting for individuals who may not possess a comprehensive understanding of its intricacies. The paper describes the design of a system that integrates AutoML, XAI, and synthetic data generation to provide a great UX design for users. The system allows users to navigate and harness the power of machine learning while abstracting its complexities and providing high usability. The paper proposes two novel classifiers, Logistic Regression Forest and Support Vector Tree, for enhanced model performance, achieving 96\% accuracy on a diabetes dataset and 93\% on a survey dataset. The paper also introduces a model-dependent local interpreter called MEDLEY and evaluates its interpretation against LIME, Greedy, and Parzen. Additionally, the paper introduces LLM-based synthetic data generation, library-based data generation, and enhancing the original dataset with GAN. The findings on synthetic data suggest that enhancing the original dataset with GAN is the most reliable way to generate synthetic data, as evidenced by KS tests, standard deviation, and feature importance. The authors also found that GAN works best for quantitative datasets.

This paper introduces a generative model designed for multimodal control over text-to-image foundation generative AI models such as Stable Diffusion, specifically tailored for engineering design synthesis. Our model proposes parametric, image, and text control modalities to enhance design precision and diversity. Firstly, it handles both partial and complete parametric inputs using a diffusion model that acts as a design autocomplete co-pilot, coupled with a parametric encoder to process the information. Secondly, the model utilizes assembly graphs to systematically assemble input component images, which are then processed through a component encoder to capture essential visual data. Thirdly, textual descriptions are integrated via CLIP encoding, ensuring a comprehensive interpretation of design intent. These diverse inputs are synthesized through a multimodal fusion technique, creating a joint embedding that acts as the input to a module inspired by ControlNet. This integration allows the model to apply robust multimodal control to foundation models, facilitating the generation of complex and precise engineering designs. This approach broadens the capabilities of AI-driven design tools and demonstrates significant advancements in precise control based on diverse data modalities for enhanced design generation.

The advancement of Large Language Models (LLMs) for domain applications in fields such as materials science and engineering depends on the development of fine-tuning strategies that adapt models for specialized, technical capabilities. In this work, we explore the effects of Continued Pretraining (CPT), Supervised Fine-Tuning (SFT), and various preference-based optimization approaches, including Direct Preference Optimization (DPO) and Odds Ratio Preference Optimization (ORPO), on fine-tuned LLM performance. Our analysis shows how these strategies influence model outcomes and reveals that the merging of multiple fine-tuned models can lead to the emergence of capabilities that surpass the individual contributions of the parent models. We find that model merging leads to new functionalities that neither parent model could achieve alone, leading to improved performance in domain-specific assessments. Experiments with different model architectures are presented, including Llama 3.1 8B and Mistral 7B models, where similar behaviors are observed. Exploring whether the results hold also for much smaller models, we use a tiny LLM with 1.7 billion parameters and show that very small LLMs do not necessarily feature emergent capabilities under model merging, suggesting that model scaling may be a key component. In open-ended yet consistent chat conversations between a human and AI models, our assessment reveals detailed insights into how different model variants perform and show that the smallest model achieves a high intelligence score across key criteria including reasoning depth, creativity, clarity, and quantitative precision. Other experiments include the development of image generation prompts based on disparate biological material design concepts, to create new microstructures, architectural concepts, and urban design based on biological materials-inspired construction principles.

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.

Fabricating and designing 3D garments has become extremely demanding with the increasing need for synthesizing realistic dressed persons for a variety of applications, e.g. 3D virtual try-on, digitalization of 2D clothes into 3D apparel, and cloth animation. It thus necessitates a simple and straightforward pipeline to obtain high-quality texture from simple input, such as 2D reference images. Since traditional warping-based texture generation methods require a significant number of control points to be manually selected for each type of garment, which can be a time-consuming and tedious process. We propose a novel method, called Cloth2Tex, which eliminates the human burden in this process. Cloth2Tex is a self-supervised method that generates texture maps with reasonable layout and structural consistency. Another key feature of Cloth2Tex is that it can be used to support high-fidelity texture inpainting. This is done by combining Cloth2Tex with a prevailing latent diffusion model. We evaluate our approach both qualitatively and quantitatively and demonstrate that Cloth2Tex can generate high-quality texture maps and achieve the best visual effects in comparison to other methods. Project page: tomguluson92.github.io/projects/cloth2tex/

Content-aware visual-textual presentation layout aims at arranging spatial space on the given canvas for pre-defined elements, including text, logo, and underlay, which is a key to automatic template-free creative graphic design. In practical applications, e.g., poster designs, the canvas is originally non-empty, and both inter-element relationships as well as inter-layer relationships should be concerned when generating a proper layout. A few recent works deal with them simultaneously, but they still suffer from poor graphic performance, such as a lack of layout variety or spatial non-alignment. Since content-aware visual-textual presentation layout is a novel task, we first construct a new dataset named PosterLayout, which consists of 9,974 poster-layout pairs and 905 images, i.e., non-empty canvases. It is more challenging and useful for greater layout variety, domain diversity, and content diversity. Then, we propose design sequence formation (DSF) that reorganizes elements in layouts to imitate the design processes of human designers, and a novel CNN-LSTM-based conditional generative adversarial network (GAN) is presented to generate proper layouts. Specifically, the discriminator is design-sequence-aware and will supervise the "design" process of the generator. Experimental results verify the usefulness of the new benchmark and the effectiveness of the proposed approach, which achieves the best performance by generating suitable layouts for diverse canvases.

The rapid evolution of the fashion industry increasingly intersects with technological advancements, particularly through the integration of generative AI. This study introduces a novel generative pipeline designed to transform the fashion design process by employing latent diffusion models. Utilizing ControlNet and LoRA fine-tuning, our approach generates high-quality images from multimodal inputs such as text and sketches. We leverage and enhance state-of-the-art virtual try-on datasets, including Multimodal Dress Code and VITON-HD, by integrating sketch data. Our evaluation, utilizing metrics like FID, CLIP Score, and KID, demonstrates that our model significantly outperforms traditional stable diffusion models. The results not only highlight the effectiveness of our model in generating fashion-appropriate outputs but also underscore the potential of diffusion models in revolutionizing fashion design workflows. This research paves the way for more interactive, personalized, and technologically enriched methodologies in fashion design and representation, bridging the gap between creative vision and practical application.

We present Cephalo, a series of multimodal vision large language models (V-LLMs) designed for materials science applications, integrating visual and linguistic data for enhanced understanding and interaction within human-AI and multi-agent AI frameworks. A key innovation of Cephalo is its advanced dataset generation method, which employs a sophisticated algorithm to accurately detect and separate images and their corresponding textual descriptions from PDF documents, such as scientific papers. The method includes a careful refinement of image-text pairs through integrated vision and language processing, ensuring high-quality, contextually relevant, and well reasoned training data. Cephalo is trained on integrated image and text data extracted from thousands of scientific papers and science-focused Wikipedia pages demonstrates can interpret complex visual scenes, generate precise language descriptions, and answer queries about images effectively. The combination of a vision encoder with an autoregressive transformer supports complex natural language understanding in an integrated model, which can be coupled with other generative methods to create an image-to-text-to-image or image-to-text-to-3D pipeline. To explore the development of larger models from smaller ones, we merge sets of layers that originate from different pre-trained source models. This hybrid approach allows us to leverage the domain-specific expertise and general conversational capabilities to harness the strengths of multiple models. We examine the models in diverse use cases that incorporate biological materials, fracture and engineering analysis, protein biophysics, and bio-inspired design based on insect behavior. Generative applications include bio-inspired designs, including pollen-inspired architected materials, as well as the synthesis of bio-inspired material microstructures from a photograph of a solar eclipse.

Over the last decades, excellent computational chemistry tools have been developed. Their full potential has not yet been reached as most are challenging to learn and exist in isolation. Recently, large-language models (LLMs) have shown strong performance in tasks across domains, but struggle with chemistry-related problems. Moreover, these models lack access to external knowledge sources, limiting their usefulness in scientific applications. In this study, we introduce ChemCrow, an LLM chemistry agent designed to accomplish tasks across organic synthesis, drug discovery, and materials design. By integrating 17 expert-designed tools, ChemCrow augments the LLM performance in chemistry, and new capabilities emerge. Our agent autonomously planned the syntheses of an insect repellent, three organocatalysts, as well as other relevant molecules. Our evaluation, including both LLM and expert assessments, demonstrates ChemCrow's effectiveness in automating a diverse set of chemical tasks. Surprisingly, we find that GPT-4 as an evaluator cannot distinguish between clearly wrong GPT-4 completions and Chemcrow's performance. There is a significant risk of misuse of tools like ChemCrow, and we discuss their potential harms. Employed responsibly, our work not only aids expert chemists and lowers barriers for non-experts, but also fosters scientific advancement by bridging the gap between experimental and computational chemistry. A subset of the code is publicly available at https://github.com/ur-whitelab/chemcrow-public.