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Oct 16

SK-Adapter: Skeleton-Based Structural Control for Native 3D Generation

Native 3D generative models have achieved remarkable fidelity and speed, yet they suffer from a critical limitation: inability to prescribe precise structural articulations, where precise structural control within the native 3D space remains underexplored. This paper proposes SK-Adapter, a simple and yet highly efficient and effective framework that unlocks precise skeletal manipulation for native 3D generation. Moving beyond text or image prompts, which can be ambiguous for precise structure, we treat the 3D skeleton as a first-class control signal. SK-Adapter is a lightweight structural adapter network that encodes joint coordinates and topology into learnable tokens, which are injected into the frozen 3D generation backbone via cross-attention. This smart design allows the model to not only effectively "attend" to specific 3D structural constraints but also preserve its original generative priors. To bridge the data gap, we contribute Objaverse-TMS dataset, a large-scale dataset of 24k text-mesh-skeleton pairs. Extensive experiments confirm that our method achieves robust structural control while preserving the geometry and texture quality of the foundation model, significantly outperforming existing baselines. Furthermore, we extend this capability to local 3D editing, enabling the region specific editing of existing assets with skeletal guidance, which is unattainable by previous methods. Project Page: https://sk-adapter.github.io/

  • 4 authors
·
Mar 14 2

Image2Gcode: Image-to-G-code Generation for Additive Manufacturing Using Diffusion-Transformer Model

Mechanical design and manufacturing workflows conventionally begin with conceptual design, followed by the creation of a computer-aided design (CAD) model and fabrication through material-extrusion (MEX) printing. This process requires converting CAD geometry into machine-readable G-code through slicing and path planning. While each step is well established, dependence on CAD modeling remains a major bottleneck: constructing object-specific 3D geometry is slow and poorly suited to rapid prototyping. Even minor design variations typically necessitate manual updates in CAD software, making iteration time-consuming and difficult to scale. To address this limitation, we introduce Image2Gcode, an end-to-end data-driven framework that bypasses the CAD stage and generates printer-ready G-code directly from images and part drawings. Instead of relying on an explicit 3D model, a hand-drawn or captured 2D image serves as the sole input. The framework first extracts slice-wise structural cues from the image and then employs a denoising diffusion probabilistic model (DDPM) over G-code sequences. Through iterative denoising, the model transforms Gaussian noise into executable print-move trajectories with corresponding extrusion parameters, establishing a direct mapping from visual input to native toolpaths. By producing structured G-code directly from 2D imagery, Image2Gcode eliminates the need for CAD or STL intermediates, lowering the entry barrier for additive manufacturing and accelerating the design-to-fabrication cycle. This approach supports on-demand prototyping from simple sketches or visual references and integrates with upstream 2D-to-3D reconstruction modules to enable an automated pipeline from concept to physical artifact. The result is a flexible, computationally efficient framework that advances accessibility in design iteration, repair workflows, and distributed manufacturing.

GeoBridge: Evolving Transferable Decoder Topologies for Geometric Vision

Depth estimation and Gaussian reconstruction share a need for multi-scale feature processing, yet use different prediction interfaces and training objectives. Whether a decoder's internal computation can be optimized once and reused across these systems remains a structural design question. Search over primitive configurations alone leaves the organization of transformations fixed. To address this gap, we propose GeoBridge, an evolutionary framework for transferable decoder topologies. First, GeoBridge makes stage-internal topology searchable through residual, sequential, and parallel composition of configurable primitives. Shape-preserving composition retains the stage interfaces of a fixed multi-scale scaffold. Second, a functional-tree encoding supports stage-aware crossover and hierarchical mutation, while a gradient sensitivity-alignment proxy evaluates candidates without training. Multi-objective evolution balances this proxy with computation and parameter cost. Third, selected topologies are instantiated and trained in target systems with task-specific prediction interfaces. A single source search takes approximately 12 GPU hours. GeoBridgeNet-A3 achieves the best depth accuracy among four adapted decoder baselines under a common encoder and training protocol on NYU Depth V2 and KITTI. The same topology reaches 27.11 dB PSNR in Gaussian novel-view synthesis on RealEstate10K, and its refined representations support open-vocabulary segmentation on LERF. These results support decoder topology as a reusable design object across the evaluated geometric vision systems. Code and pretrained weights are available at https://github.com/EMI-Group/GeoBridge-NAS.

  • 3 authors
·
Oct 10

DCAS: Decoupling CLI Agent Scaffolding to Internalize Planning across Scaffolds

CLI-based software-engineering agents have matured rapidly, yet the open ecosystem has converged on a single training environment: trajectory datasets used to fine-tune open models are collected almost exclusively under OpenHands. Models fine-tuned on this data score well under OpenHands but degrade substantially when deployed under any non-training scaffold. Untrained base models do not show this divergence, indicating the gap is fine-tuning-induced and tied to the conventions of the training scaffold. We argue that a load-bearing scaffold-specific behavior is planning structure, in two senses this paper distinguishes: explicit planning, a pre-execution plan produced as a first-class artifact, and implicit planning, the structural conventions that shape execution throughout the agent loop. Under this hypothesis, closing the gap requires moving planning from a fixed scaffold artifact to a learned model capability. We introduce Decoupling CLI Agent Scaffolding (DCAS), a backend-substitution interception layer that routes API traffic between any CLI scaffold and any backend model without modifying the scaffold, enabling cross-scaffold evaluation and planning-aware trajectory collection. Using DCAS, a controlled plan-source intervention confirms planning quality is a high-leverage component, with gains exceeding the cross-scaffold drops we observe. A model fine-tuned on a small set of DCAS-collected planning-aware trajectories under a single scaffold gains consistently across non-training scaffolds, and the two senses of planning are empirically separable in training data.

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

Perovskite-R1: A Domain-Specialized LLM for Intelligent Discovery of Precursor Additives and Experimental Design

Perovskite solar cells (PSCs) have rapidly emerged as a leading contender in next-generation photovoltaic technologies, owing to their exceptional power conversion efficiencies and advantageous material properties. Despite these advances, challenges such as long-term stability, environmental sustainability, and scalable manufacturing continue to hinder their commercialization. Precursor additive engineering has shown promise in addressing these issues by enhancing both the performance and durability of PSCs. However, the explosive growth of scientific literature and the complex interplay of materials, processes, and device architectures make it increasingly difficult for researchers to efficiently access, organize, and utilize domain knowledge in this rapidly evolving field. To address this gap, we introduce Perovskite-R1, a specialized large language model (LLM) with advanced reasoning capabilities tailored for the discovery and design of PSC precursor additives. By systematically mining and curating 1,232 high-quality scientific publications and integrating a comprehensive library of 33,269 candidate materials, we constructed a domain-specific instruction-tuning dataset using automated question-answer generation and chain-of-thought reasoning. Fine-tuning the QwQ-32B model on this dataset resulted in Perovskite-R1, which can intelligently synthesize literature insights and generate innovative and practical solutions for defect passivation and the selection of precursor additives. Experimental validation of several model-proposed strategies confirms their effectiveness in improving material stability and performance. Our work demonstrates the potential of domain-adapted LLMs in accelerating materials discovery and provides a closed-loop framework for intelligent, data-driven advancements in perovskite photovoltaic research.

  • 6 authors
·
Jul 22, 2025

Inside the Scaffold: A Source-Code Taxonomy of Coding Agent Architectures

LLM-based coding agents can localize bugs, generate patches, and run tests with diminishing human oversight, yet the scaffolding code that surrounds the language model (the control loop, tool definitions, state management, and context strategy) remains poorly understood. Existing surveys classify agents by abstract capabilities (tool use, planning, reflection) that cannot distinguish between architecturally distinct systems, and trajectory studies observe what agents do without examining the scaffold code that determines why. This paper presents a source-code-level architectural taxonomy derived from analysis of 13 open-source coding agent scaffolds at pinned commit hashes. Each agent is characterized across 12 dimensions organized into three layers: control architecture, tool and environment interface, and resource management. The analysis reveals that scaffold architectures resist discrete classification: control strategies range from fixed pipelines to Monte Carlo Tree Search, tool counts range from 0 to 37, and context compaction spans seven distinct strategies. Five loop primitives (ReAct, generate-test-repair, plan-execute, multi-attempt retry, tree search) function as composable building blocks that agents layer in different combinations; 11 of 13 agents compose multiple primitives rather than relying on a single control structure. Dimensions converge where external constraints dominate (tool capability categories, edit formats, execution isolation) and diverge where open design questions remain (context compaction, state management, multi-model routing). All taxonomic claims are grounded in file paths and line numbers, providing a reusable reference for researchers studying agent behavior and practitioners designing new scaffolds.

  • 1 authors
·
Apr 9

OReX: Object Reconstruction from Planar Cross-sections Using Neural Fields

Reconstructing 3D shapes from planar cross-sections is a challenge inspired by downstream applications like medical imaging and geographic informatics. The input is an in/out indicator function fully defined on a sparse collection of planes in space, and the output is an interpolation of the indicator function to the entire volume. Previous works addressing this sparse and ill-posed problem either produce low quality results, or rely on additional priors such as target topology, appearance information, or input normal directions. In this paper, we present OReX, a method for 3D shape reconstruction from slices alone, featuring a Neural Field as the interpolation prior. A modest neural network is trained on the input planes to return an inside/outside estimate for a given 3D coordinate, yielding a powerful prior that induces smoothness and self-similarities. The main challenge for this approach is high-frequency details, as the neural prior is overly smoothing. To alleviate this, we offer an iterative estimation architecture and a hierarchical input sampling scheme that encourage coarse-to-fine training, allowing the training process to focus on high frequencies at later stages. In addition, we identify and analyze a ripple-like effect stemming from the mesh extraction step. We mitigate it by regularizing the spatial gradients of the indicator function around input in/out boundaries during network training, tackling the problem at the root. Through extensive qualitative and quantitative experimentation, we demonstrate our method is robust, accurate, and scales well with the size of the input. We report state-of-the-art results compared to previous approaches and recent potential solutions, and demonstrate the benefit of our individual contributions through analysis and ablation studies.

  • 3 authors
·
Nov 23, 2022

Img2CAD: Reverse Engineering 3D CAD Models from Images through VLM-Assisted Conditional Factorization

Reverse engineering 3D computer-aided design (CAD) models from images is an important task for many downstream applications including interactive editing, manufacturing, architecture, robotics, etc. The difficulty of the task lies in vast representational disparities between the CAD output and the image input. CAD models are precise, programmatic constructs that involve sequential operations combining discrete command structure with continuous attributes, making it challenging to learn and optimize in an end-to-end fashion. Concurrently, input images introduce inherent challenges such as photometric variability and sensor noise, complicating the reverse engineering process. In this work, we introduce a novel approach that conditionally factorizes the task into two sub-problems. First, we leverage vision-language foundation models (VLMs), a finetuned Llama3.2, to predict the global discrete base structure with semantic information. Second, we propose TrAssembler that, conditioned on the discrete structure with semantics, predicts the continuous attribute values. To support the training of our TrAssembler, we further constructed an annotated CAD dataset of common objects from ShapeNet. Putting all together, our approach and data demonstrate significant first steps towards CAD-ifying images in the wild. Code and data can be found in https://github.com/qq456cvb/Img2CAD.

  • 10 authors
·
Jul 19, 2024

Learning Nonlinear Responses in PET Bottle Buckling with a Hybrid DeepONet-Transolver Framework

Neural surrogates and operator networks for solving partial differential equation (PDE) problems have attracted significant research interest in recent years. However, most existing approaches are limited in their ability to generalize solutions across varying non-parametric geometric domains. In this work, we address this challenge in the context of Polyethylene Terephthalate (PET) bottle buckling analysis, a representative packaging design problem conventionally solved using computationally expensive finite element analysis (FEA). We introduce a hybrid DeepONet-Transolver framework that simultaneously predicts nodal displacement fields and the time evolution of reaction forces during top load compression. Our methodology is evaluated on two families of bottle geometries parameterized by two and four design variables. Training data is generated using nonlinear FEA simulations in Abaqus for 254 unique designs per family. The proposed framework achieves mean relative L^{2} errors of 2.5-13% for displacement fields and approximately 2.4% for time-dependent reaction forces for the four-parameter bottle family. Point-wise error analyses further show absolute displacement errors on the order of 10^{-4}-10^{-3}, with the largest discrepancies confined to localized geometric regions. Importantly, the model accurately captures key physical phenomena, such as buckling behavior, across diverse bottle geometries. These results highlight the potential of our framework as a scalable and computationally efficient surrogate, particularly for multi-task predictions in computational mechanics and applications requiring rapid design evaluation.

  • 5 authors
·
Sep 16, 2025

LighthouseGS: Indoor Structure-aware 3D Gaussian Splatting for Panorama-Style Mobile Captures

Recent advances in 3D Gaussian Splatting (3DGS) have enabled real-time novel view synthesis (NVS) with impressive quality in indoor scenes. However, achieving high-fidelity rendering requires meticulously captured images covering the entire scene, limiting accessibility for general users. We aim to develop a practical 3DGS-based NVS framework using simple panorama-style motion with a handheld camera (e.g., mobile device). While convenient, this rotation-dominant motion and narrow baseline make accurate camera pose and 3D point estimation challenging, especially in textureless indoor scenes. To address these challenges, we propose LighthouseGS, a novel framework inspired by the lighthouse-like sweeping motion of panoramic views. LighthouseGS leverages rough geometric priors, such as mobile device camera poses and monocular depth estimation, and utilizes the planar structures often found in indoor environments. We present a new initialization method called plane scaffold assembly to generate consistent 3D points on these structures, followed by a stable pruning strategy to enhance geometry and optimization stability. Additionally, we introduce geometric and photometric corrections to resolve inconsistencies from motion drift and auto-exposure in mobile devices. Tested on collected real and synthetic indoor scenes, LighthouseGS delivers photorealistic rendering, surpassing state-of-the-art methods and demonstrating the potential for panoramic view synthesis and object placement.

  • 7 authors
·
Jul 8, 2025

Learn2Fold: Structured Origami Generation with World Model Planning

The ability to transform a flat sheet into a complex three-dimensional structure is a fundamental test of physical intelligence. Unlike cloth manipulation, origami is governed by strict geometric axioms and hard kinematic constraints, where a single invalid crease or collision can invalidate the entire folding sequence. As a result, origami demands long-horizon constructive reasoning that jointly satisfies precise physical laws and high-level semantic intent. Existing approaches fall into two disjoint paradigms: optimization-based methods enforce physical validity but require dense, precisely specified inputs, making them unsuitable for sparse natural language descriptions, while generative foundation models excel at semantic and perceptual synthesis yet fail to produce long-horizon, physics-consistent folding processes. Consequently, generating valid origami folding sequences directly from text remains an open challenge. To address this gap, we introduce Learn2Fold, a neuro-symbolic framework that formulates origami folding as conditional program induction over a crease-pattern graph. Our key insight is to decouple semantic proposal from physical verification. A large language model generates candidate folding programs from abstract text prompts, while a learned graph-structured world model serves as a differentiable surrogate simulator that predicts physical feasibility and failure modes before execution. Integrated within a lookahead planning loop, Learn2Fold enables robust generation of physically valid folding sequences for complex and out-of-distribution patterns, demonstrating that effective spatial intelligence arises from the synergy between symbolic reasoning and grounded physical simulation.

  • 7 authors
·
Feb 2 1

SimpleFold: Folding Proteins is Simpler than You Think

Protein folding models have achieved groundbreaking results typically via a combination of integrating domain knowledge into the architectural blocks and training pipelines. Nonetheless, given the success of generative models across different but related problems, it is natural to question whether these architectural designs are a necessary condition to build performant models. In this paper, we introduce SimpleFold, the first flow-matching based protein folding model that solely uses general purpose transformer blocks. Protein folding models typically employ computationally expensive modules involving triangular updates, explicit pair representations or multiple training objectives curated for this specific domain. Instead, SimpleFold employs standard transformer blocks with adaptive layers and is trained via a generative flow-matching objective with an additional structural term. We scale SimpleFold to 3B parameters and train it on approximately 9M distilled protein structures together with experimental PDB data. On standard folding benchmarks, SimpleFold-3B achieves competitive performance compared to state-of-the-art baselines, in addition SimpleFold demonstrates strong performance in ensemble prediction which is typically difficult for models trained via deterministic reconstruction objectives. Due to its general-purpose architecture, SimpleFold shows efficiency in deployment and inference on consumer-level hardware. SimpleFold challenges the reliance on complex domain-specific architectures designs in protein folding, opening up an alternative design space for future progress.

  • 5 authors
·
Sep 22, 2025 5

AnalogGenie: A Generative Engine for Automatic Discovery of Analog Circuit Topologies

The massive and large-scale design of foundational semiconductor integrated circuits (ICs) is crucial to sustaining the advancement of many emerging and future technologies, such as generative AI, 5G/6G, and quantum computing. Excitingly, recent studies have shown the great capabilities of foundational models in expediting the design of digital ICs. Yet, applying generative AI techniques to accelerate the design of analog ICs remains a significant challenge due to critical domain-specific issues, such as the lack of a comprehensive dataset and effective representation methods for analog circuits. This paper proposes, AnalogGenie, a textbf{Gen}erattextbf{i}ve textbf{e}ngine for automatic design/discovery of textbf{Analog} circuit topologies--the most challenging and creative task in the conventional manual design flow of analog ICs. AnalogGenie addresses two key gaps in the field: building a foundational comprehensive dataset of analog circuit topology and developing a scalable sequence-based graph representation universal to analog circuits. Experimental results show the remarkable generation performance of AnalogGenie in broadening the variety of analog ICs, increasing the number of devices within a single design, and discovering unseen circuit topologies far beyond any prior arts. Our work paves the way to transform the longstanding time-consuming manual design flow of analog ICs to an automatic and massive manner powered by generative AI. Our source code is available at https://github.com/xz-group/AnalogGenie.

  • 4 authors
·
Feb 28, 2025

Toward smart composites: small-scale, untethered prediction and control for soft sensor/actuator systems

We present formulation and open-source tools to achieve in-material model predictive control of sensor/actuator systems using learned forward kinematics and on-device computation. Microcontroller units (MCUs) that compute the prediction and control task while colocated with the sensors and actuators enable in-material untethered behaviors. In this approach, small parameter size neural network models learn forward kinematics offline. Our open-source compiler, nn4mc, generates code to offload these predictions onto MCUs. A Newton-Raphson solver then computes the control input in real time. We first benchmark this nonlinear control approach against a PID controller on a mass-spring-damper simulation. We then study experimental results on two experimental rigs with different sensing, actuation and computational hardware: a tendon-based platform with embedded LightLace sensors and a HASEL-based platform with magnetic sensors. Experimental results indicate effective high-bandwidth tracking of reference paths (greater than or equal to 120 Hz) with a small memory footprint (less than or equal to 6.4% of flash memory). The measured path following error does not exceed 2mm in the tendon-based platform. The simulated path following error does not exceed 1mm in the HASEL-based platform. The mean power consumption of this approach in an ARM Cortex-M4f device is 45.4 mW. This control approach is also compatible with Tensorflow Lite models and equivalent on-device code. In-material intelligence enables a new class of composites that infuse autonomy into structures and systems with refined artificial proprioception.

  • 7 authors
·
May 22, 2022

1D-Bench: A Benchmark for Iterative UI Code Generation with Visual Feedback in Real-World

Design-to-code translates high-fidelity UI designs into executable front-end implementations, but progress remains hard to compare due to inconsistent datasets, toolchains, and evaluation protocols. We introduce 1D-Bench, a benchmark grounded in real e-commerce workflows, where each instance provides a reference rendering and an exported intermediate representation that may contain extraction errors. 1D is short for one day, representing the efficient completion of design-to-code tasks in less than one day. Models take both as input, using the intermediate representation as structural cues while being evaluated against the reference rendering, which tests robustness to intermediate representation defects rather than literal adherence. 1D-Bench requires generating an executable React codebase under a fixed toolchain with an explicit component hierarchy, and defines a multi-round setting in which models iteratively apply component-level edits using execution feedback. Experiments on commercial and open-weight multimodal models show that iterative editing generally improves final performance by increasing rendering success and often improving visual similarity. We further conduct a pilot study on post-training with synthetic repair trajectories and reinforcement learning based editing, and observe limited and unstable gains that may stem from sparse terminal rewards and high-variance file-level updates. The data and scripts used in this study are available in an anonymized repository at https://anonymous.4open.science/r/d2c-benchmark-A9C4/.

  • 4 authors
·
Jul 14

Arbor: Explicit Geometric Conditioning for Controllable 3D Asset Generation

Text and image conditioned 3D models now generate convincing assets, but they still offer little direct control over the space an object should occupy or avoid. In authoring, this spatial intent is often known before generation starts. A chair should fit a seating envelope, a prop should leave clearance for motion, or a part should expose a contact surface. Prompts and image views are poor carriers for such constraints, requiring the need for an explicit control interface. We present Arbor, a trainable attachment for text conditioned latent 3D generation. Arbor introduces constraint meshes as a native 3D control interface. The interface uses hull regions where geometry should exist, avoidance regions that should remain empty, and touch regions the object should contact. Unlike completion or whole object scaffold control, these meshes are not target evidence. They are local typed requirements and can include regions where no surface should appear. Arbor keeps this signal as geometry by converting constraint meshes into tokens and learning a routed attachment inside a frozen denoiser. Each latent region can therefore receive the part of the constraint that matters for its spatial location. We evaluate Arbor on automatic and artist curated control benchmarks with hull, avoidance, and touch constraints, and compare the metric trends to a user preference study. Even without dedicated compliance losses, Arbor improves constraint obedience while preserving object quality and variation under fixed constraints.

Scaffold Splits Overestimate Virtual Screening Performance

Virtual Screening (VS) of vast compound libraries guided by Artificial Intelligence (AI) models is a highly productive approach to early drug discovery. Data splitting is crucial for better benchmarking of such AI models. Traditional random data splits produce similar molecules between training and test sets, conflicting with the reality of VS libraries which mostly contain structurally distinct compounds. Scaffold split, grouping molecules by shared core structure, is widely considered to reflect this real-world scenario. However, here we show that the scaffold split also overestimates VS performance. The reason is that molecules with different chemical scaffolds are often similar, which hence introduces unrealistically high similarities between training molecules and test molecules following a scaffold split. Our study examined three representative AI models on 60 NCI-60 datasets, each with approximately 30,000 to 50,000 molecules tested on a different cancer cell line. Each dataset was split with three methods: scaffold, Butina clustering and the more accurate Uniform Manifold Approximation and Projection (UMAP) clustering. Regardless of the model, model performance is much worse with UMAP splits from the results of the 2100 models trained and evaluated for each algorithm and split. These robust results demonstrate the need for more realistic data splits to tune, compare, and select models for VS. For the same reason, avoiding the scaffold split is also recommended for other molecular property prediction problems. The code to reproduce these results is available at https://github.com/ScaffoldSplitsOverestimateVS

  • 3 authors
·
Jun 29, 2024

Fine-tuning large language models for domain adaptation: Exploration of training strategies, scaling, model merging and synergistic capabilities

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.

  • 3 authors
·
Sep 5, 2024

GRAFT: Geometric Refinement and Fitting Transformer for Human Scene Reconstruction

Reconstructing physically plausible 3D human-scene interactions (HSI) from a single image currently presents a trade-off: optimization based methods offer accurate contact but are slow (~20s), while feed-forward approaches are fast yet lack explicit interaction reasoning, producing floating and interpenetration artifacts. Our key insight is that geometry-based human--scene fitting can be amortized into fast feed-forward inference. We present GRAFT (Geometric Refinement And Fitting Transformer), a learned HSI prior that predicts Interaction Gradients: corrective parameter updates that iteratively refine human meshes by reasoning about their 3D relationship to the surrounding scene. GRAFT encodes the interaction state into compact body-anchored tokens, each grounded in the scene geometry via Geometric Probes that capture spatial relationships with nearby surfaces. A lightweight transformer recurrently updates human meshes and re-probes the scene, ensuring the final pose aligns with both learned priors and observed geometry. GRAFT operates either as an end-to-end reconstructor using image features, or with geometry alone as a transferable plug-and-play HSI prior that improves feed-forward methods without retraining. Experiments show GRAFT improves interaction quality by up to 122% over state-of-the-art feed-forward methods and matches optimization-based interaction quality at {sim}100{times} lower runtime, while generalizing seamlessly to in-the-wild multi-person scenes and being preferred in 64.8% of three-way user study. Project page: https://pradyumnaym.github.io/graft .

  • 6 authors
·
Jun 28

Smart Cellular Bricks for Decentralized Shape Classification and Damage Recovery

Biological systems possess remarkable capabilities for self-recognition and morphological regeneration, often relying solely on local interactions. Inspired by these decentralized processes, we present a novel system of physical 3D bricks--simple cubic units equipped with local communication, processing, and sensing--that are capable of inferring their global shape class and detecting structural damage. Leveraging Neural Cellular Automata (NCA), a learned, fully-distributed algorithm, our system enables each module to independently execute the same neural network without access to any global state or positioning information. We demonstrate the ability of collections of hundreds of these cellular bricks to accurately classify a variety of 3D shapes through purely local interactions. The approach shows strong robustness to out-of-distribution shape variations and high tolerance to communication faults and failed modules. In addition to shape inference, the same decentralized framework is extended to detect missing or damaged components, allowing the collective to localize structural disruptions and to guide a recovery process. This work provides a physical realization of large-scale, decentralized self-recognition and damage detection, advancing the potential of robust, adaptive, and bio-inspired modular systems. Videos and code will be made available at: https://cellularbricks.github.io/

  • 5 authors
·
Sep 24, 2025

On the Collapse of Generative Paths: A Criterion and Correction for Diffusion Steering

Inference-time steering enables pretrained diffusion/flow models to be adapted to new tasks without retraining. A widely used approach is the ratio-of-densities method, which defines a time-indexed target path by reweighting probability-density trajectories from multiple models with positive, or in some cases, negative exponents. This construction, however, harbors a critical and previously unformalized failure mode: Marginal Path Collapse, where intermediate densities become non-normalizable even though endpoints remain valid. Collapse arises systematically when composing heterogeneous models trained on different noise schedules or datasets, including a common setting in molecular design where de-novo, conformer, and pocket-conditioned models must be combined for tasks such as flexible-pose scaffold decoration. We provide a novel and complete solution for the problem. First, we derive a simple path existence criterion that predicts exactly when collapse occurs from noise schedules and exponents alone. Second, we introduce Adaptive path Correction with Exponents (ACE), which extends Feynman-Kac steering to time-varying exponents and guarantees a valid probability path. On a synthetic 2D benchmark and on flexible-pose scaffold decoration, ACE eliminates collapse and enables high-guidance compositional generation, improving distributional and docking metrics over constant-exponent baselines and even specialized task-specific scaffold decoration models. Our work turns ratio-of-densities steering with heterogeneous experts from an unstable heuristic into a reliable tool for controllable generation.

  • 9 authors
·
Dec 10, 2025

Elastoformer: Enabling Dynamic Adaptivity via Elastic Model Transformation

EdgeAI systems are increasingly employing computer vision applications to enable intelligent, on-device decision-making in real-time. However, these deployments face highly dynamic operational conditions, with fluctuating constraints on latency, power availability, and memory resources. Deep Neural Networks (DNN), which follow fixed computational execution flows, lack the flexibility to adapt to such variability, resulting in inefficient and suboptimal performance in edge scenarios. This underscores the need for architectures that are not only efficient but also dynamically scalable at runtime. In this paper, we propose Elastoformer: A framework that transforms conventional neural networks (NN) into Elastic NN capable of real-time elastic inference. Unlike the conventional bag-of-models approach, which requires maintaining multiple independent models for different operating conditions, Elastoformer offers a single, modular solution that dynamically switches between multiple modes of operation at runtime, adapting efficiently to the changing computational budgets of edge devices without the overhead of managing separate models. Experiments reveal that our framework achieves up to 85% reduction in computation FLOPs, 50% reduction in latency and 76% reduction in memory overhead, while showcasing the architecture agnostic nature of the framework across both Vision Transformers and CNNs. Our code is available at https://github.com/sudaksh14/Elastoformer.

scShapeBench: Discovering geometry from high dimensional scRNAseq data

High-dimensional point cloud data arise across many scientific domains, especially single-cell biology. The shapes or topologies of these datasets determine the types of information that can be extracted. For example, clustered data supports cell-type identification, trajectory structures support transition analysis, and archetypal structures capture continua of cellular behaviors. Existing analysis pipelines often assume a specific shape. The standard Seurat pipeline combines UMAP visualization with Louvain clustering and therefore assumes clustered data, while tools such as Monocle and SPADE assume tree-like structures, and flow-based models such as MIOFlow and Conditional Flow Matching target trajectories. Choosing which pipeline to apply is therefore often left to bioinformaticians who visually inspect datasets before selecting an analysis strategy. With the rise of agentic AI scientists, automating shape detection is increasingly important for selecting downstream analysis pipelines. To address this problem, we introduce scShapeBench, a benchmark dataset for shape detection containing both synthetic and expert-annotated single-cell datasets. Synthetic datasets are sampled from ground-truth skeleton graphs with controlled variance. Real single-cell datasets are curated from diverse sources and annotated by experts into four categories: clusters, single trajectory, multi-branching, and archetypal. We additionally introduce scReebTower, a baseline method that uses diffusion geometry to extract Reeb graphs and connect visualization with pipeline selection. We provide topology-aware evaluation metrics and compare scReebTower against PAGA and Mapper on synthetic and real data. Our results indicate that scReebTower outperforms existing baselines. Overall, our contributions span benchmarks, evaluation metrics, and a baseline for automated shape detection in single-cell data.

YaleUniversity Yale University
·
May 11

CAD-Tokenizer: Towards Text-based CAD Prototyping via Modality-Specific Tokenization

Computer-Aided Design (CAD) is a foundational component of industrial prototyping, where models are defined not by raw coordinates but by construction sequences such as sketches and extrusions. This sequential structure enables both efficient prototype initialization and subsequent editing. Text-guided CAD prototyping, which unifies Text-to-CAD generation and CAD editing, has the potential to streamline the entire design pipeline. However, prior work has not explored this setting, largely because standard large language model (LLM) tokenizers decompose CAD sequences into natural-language word pieces, failing to capture primitive-level CAD semantics and hindering attention modules from modeling geometric structure. We conjecture that a multimodal tokenization strategy, aligned with CAD's primitive and structural nature, can provide more effective representations. To this end, we propose CAD-Tokenizer, a framework that represents CAD data with modality-specific tokens using a sequence-based VQ-VAE with primitive-level pooling and constrained decoding. This design produces compact, primitive-aware representations that align with CAD's structural nature. Applied to unified text-guided CAD prototyping, CAD-Tokenizer significantly improves instruction following and generation quality, achieving better quantitative and qualitative performance over both general-purpose LLMs and task-specific baselines.

microsoft Microsoft
·
Sep 25, 2025 3

Programmable Locking Cells (PLC) for Modular Robots with High Stiffness Tunability and Morphological Adaptability

Robotic systems operating in unstructured environments require the ability to switch between compliant and rigid states to perform diverse tasks such as adaptive grasping, high-force manipulation, shape holding, and navigation in constrained spaces, among others. However, many existing variable stiffness solutions rely on complex actuation schemes, continuous input power, or monolithic designs, limiting their modularity and scalability. This paper presents the Programmable Locking Cell (PLC)-a modular, tendon-driven unit that achieves discrete stiffness modulation through mechanically interlocked joints actuated by cable tension. Each unit transitions between compliant and firm states via structural engagement, and the assembled system exhibits high stiffness variation-up to 950% per unit-without susceptibility to damage under high payload in the firm state. Multiple PLC units can be assembled into reconfigurable robotic structures with spatially programmable stiffness. We validate the design through two functional prototypes: (1) a variable-stiffness gripper capable of adaptive grasping, firm holding, and in-hand manipulation; and (2) a pipe-traversing robot composed of serial PLC units that achieves shape adaptability and stiffness control in confined environments. These results demonstrate the PLC as a scalable, structure-centric mechanism for programmable stiffness and motion, enabling robotic systems with reconfigurable morphology and task-adaptive interaction.

  • 6 authors
·
Sep 9, 2025

DeepJEB++: Foundation Model-Driven Large-Scale 3D Engineering Dataset via 2D Latent Space Augmentation

Data-driven engineering design is constrained by the lack of large-scale 3D datasets that pair geometry with physics-based performance labels. In particular, existing 3D data augmentation techniques have limitations in preserving subtle and diverse geometric variations, and it remains difficult to automate the subsequent simulation-labeling process, where boundary conditions vary depending on the generated geometry. We present DeepJEB++, a foundation-model-driven data-augmentation framework that expands a small seed set of jet engine brackets into a large, simulation-labeled 3D dataset under constrained resources. Our key idea is to augment in the data-rich 2D latent space, then transfer to 3D. In Stage 1, we fine-tune a pretrained 2D latent diffusion model on multi-view renders and synthesize novel views by latent interpolation, retaining manufacturable designs through a vision-language-model (VLM) quality filter. In Stage 2, the validated images are lifted to 3D meshes by a domain-adapted generative foundation model. In Stage 3, an automated pipeline recognizes the load and bolt interfaces on each mesh and assigns finite-element labels -- mass, stress, and displacement -- without manual intervention. We assess augmentation quality along three intrinsic axes: manufacturability, label fidelity against the SimJEB ground truth, and distributional consistency. Starting from fewer than 400 seed designs, DeepJEB++ yields 15,360 simulation-labeled 3D brackets -- a 40x expansion -- using a single GPU per stage. The dataset will be made publicly available to support reproducible engineering-AI research.

  • 7 authors
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Jun 11

YUBI: Yielding Universal Bidigital Interface for Bimanual Dexterous Manipulation at Scale

We introduce Yielding Universal Bidigital Interface (YUBI), a finger-aligned gripper designed to enable intuitive, ergonomic, and scalable data collection for bimanual dexterous manipulation. While handheld data collection systems such as Universal Manipulation Interface (UMI) enable affordable data collection, their bulky pistol-grip designs can pose ergonomic and usability challenges for fine-grained, dexterous manipulation tasks. To address this, YUBI presents a distinct design principle: yielding, finger-driven actuation that directly maps human finger movements to gripper jaw motion. Using the YUBI devices, we set up a data collection system with integrated VR-based 6 DoF tracking of the gripper, ensuring high-fidelity trajectory data acquisition. We curate a UMI-based dataset of unprecedented scale: 8,434 hours across 1.20M episodes and 119 tasks. Experiments show that YUBI offers advantages over the UMI gripper in versatility for complex bimanual tasks, dexterity, and operational efficiency. A single policy trained on the YUBI dataset transfers across multiple bimanual robots (UR, Franka, and ELEY) simply by mounting the gripper on each platform, confirming that the collected data are directly executable as policy supervision. We release the gripper hardware, data-collection software, and dataset as one integrated stack, offering the open community a reproducible path to large-scale data acquisition for advancing robotic foundation models.

  • 19 authors
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Jun 7

AniGen: Unified S^3 Fields for Animatable 3D Asset Generation

Animatable 3D assets, defined as geometry equipped with an articulated skeleton and skinning weights, are fundamental to interactive graphics, embodied agents, and animation production. While recent 3D generative models can synthesize visually plausible shapes from images, the results are typically static. Obtaining usable rigs via post-hoc auto-rigging is brittle and often produces skeletons that are topologically inconsistent with the generated geometry. We present AniGen, a unified framework that directly generates animate-ready 3D assets conditioned on a single image. Our key insight is to represent shape, skeleton, and skinning as mutually consistent S^3 Fields (Shape, Skeleton, Skin) defined over a shared spatial domain. To enable the robust learning of these fields, we introduce two technical innovations: (i) a confidence-decaying skeleton field that explicitly handles the geometric ambiguity of bone prediction at Voronoi boundaries, and (ii) a dual skin feature field that decouples skinning weights from specific joint counts, allowing a fixed-architecture network to predict rigs of arbitrary complexity. Built upon a two-stage flow-matching pipeline, AniGen first synthesizes a sparse structural scaffold and then generates dense geometry and articulation in a structured latent space. Extensive experiments demonstrate that AniGen substantially outperforms state-of-the-art sequential baselines in rig validity and animation quality, generalizing effectively to in-the-wild images across diverse categories including animals, humanoids, and machinery. Homepage: https://yihua7.github.io/AniGen-web/

  • 9 authors
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Apr 8

RigidFormer: Learning Rigid Dynamics using Transformers

Learning-based simulation of multi-object rigid-body dynamics remains difficult because contact is discontinuous and errors compound over long horizons. Most existing methods remain tied to mesh connectivity and vertex-level message passing, which limits their applicability to mesh-free inputs such as point clouds and leads to high computational cost. Efficiently modeling high-fidelity rigid-body dynamics from mesh-free representations, therefore, remains challenging. We introduce RigidFormer, an object-centric Transformer-based model that learns mesh-free rigid-body dynamics with controllable integration step sizes. RigidFormer reasons at the object level and advances each object through compact anchors; Anchor-Vertex Pooling enriches these anchors with local vertex features, retaining contact-relevant geometry without dense vertex-level interaction. We propose Anchor-based RoPE to inject anchor geometry into attention while respecting the unordered nature of objects and anchors: object-token processing is permutation-equivariant, and the mean-pooled anchor descriptor is invariant to anchor reindexing while preserving shape extent. RigidFormer further enforces rigidity by projecting updates onto the rigid-body manifold using differentiable Kabsch alignment. On standard benchmarks, RigidFormer outperforms or matches mesh-based baselines using point inputs, runs faster, generalizes to unseen point resolutions and across datasets, and scales to 200+ objects; we also show a preliminary extension to command-conditioned articulated bodies by treating body parts as interacting object-level components.

DeepFEA: Deep Learning for Prediction of Transient Finite Element Analysis Solutions

Finite Element Analysis (FEA) is a powerful but computationally intensive method for simulating physical phenomena. Recent advancements in machine learning have led to surrogate models capable of accelerating FEA. Yet there are still limitations in developing surrogates of transient FEA models that can simultaneously predict the solutions for both nodes and elements with applicability on both the 2D and 3D domains. Motivated by this research gap, this study proposes DeepFEA, a deep learning-based framework that leverages a multilayer Convolutional Long Short-Term Memory (ConvLSTM) network branching into two parallel convolutional neural networks to predict the solutions for both nodes and elements of FEA models. The proposed network is optimized using a novel adaptive learning algorithm, called Node-Element Loss Optimization (NELO). NELO minimizes the error occurring at both branches of the network enabling the prediction of solutions for transient FEA simulations. The experimental evaluation of DeepFEA is performed on three datasets in the context of structural mechanics, generated to serve as publicly available reference datasets. The results show that DeepFEA can achieve less than 3% normalized mean and root mean squared error for 2D and 3D simulation scenarios, and inference times that are two orders of magnitude faster than FEA. In contrast, relevant state-of-the-art methods face challenges with multi-dimensional output and dynamic input prediction. Furthermore, DeepFEA's robustness was demonstrated in a real-life biomedical scenario, confirming its suitability for accurate and efficient predictions of FEA simulations.

  • 4 authors
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Dec 5, 2024

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
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Sep 15, 2023

MoDec-GS: Global-to-Local Motion Decomposition and Temporal Interval Adjustment for Compact Dynamic 3D Gaussian Splatting

3D Gaussian Splatting (3DGS) has made significant strides in scene representation and neural rendering, with intense efforts focused on adapting it for dynamic scenes. Despite delivering remarkable rendering quality and speed, existing methods struggle with storage demands and representing complex real-world motions. To tackle these issues, we propose MoDecGS, a memory-efficient Gaussian splatting framework designed for reconstructing novel views in challenging scenarios with complex motions. We introduce GlobaltoLocal Motion Decomposition (GLMD) to effectively capture dynamic motions in a coarsetofine manner. This approach leverages Global Canonical Scaffolds (Global CS) and Local Canonical Scaffolds (Local CS), extending static Scaffold representation to dynamic video reconstruction. For Global CS, we propose Global Anchor Deformation (GAD) to efficiently represent global dynamics along complex motions, by directly deforming the implicit Scaffold attributes which are anchor position, offset, and local context features. Next, we finely adjust local motions via the Local Gaussian Deformation (LGD) of Local CS explicitly. Additionally, we introduce Temporal Interval Adjustment (TIA) to automatically control the temporal coverage of each Local CS during training, allowing MoDecGS to find optimal interval assignments based on the specified number of temporal segments. Extensive evaluations demonstrate that MoDecGS achieves an average 70% reduction in model size over stateoftheart methods for dynamic 3D Gaussians from realworld dynamic videos while maintaining or even improving rendering quality.

  • 6 authors
·
Jan 7, 2025 2

Learning From Design Procedure To Generate CAD Programs for Data Augmentation

Large Language Models (LLMs) have demonstrated impressive capabilities in a wide range of code generation tasks. However, generating code for certain domains remains challenging. One such domain is Computer-Aided Design (CAD) program, where the goal is to produce scripted parametric models that define object geometry for precise design and manufacturing applications. A key challenge in LLM-based CAD program generation is the limited geometric complexity of generated shapes compared to those found in real-world industrial designs. This shortfall is in part due to the lack of diversity in the available CAD program training data. To address this, we propose a novel data augmentation paradigm that prompts an LLM to generate CAD programs conditioned on a reference surface program and a modeling procedure - an idea inspired by practices in industrial design. By varying the reference surface using a collection of organic shapes, our method enriches the geometric distribution of generated CAD models. In particular, it introduces edges and faces defined by spline-based curvature, which are typically missing or underrepresented in existing open-source CAD program datasets. Experiments show that our method produces CAD samples with significantly greater geometric diversity and a higher resemblance to industry-grade CAD designs in terms of the proportion of organic shape primitives. This enhancement makes our CAD data augmentation approach a useful tool for training LLMs and other deep learning models in CAD generation.

  • 6 authors
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Mar 5

Why Registration Quality Matters: Enhancing sCT Synthesis with IMPACT-Based Registration

We participated in the SynthRAD2025 challenge (Tasks 1 and 2) with a unified pipeline for synthetic CT (sCT) generation from MRI and CBCT, implemented using the KonfAI framework. Our model is a 2.5D U-Net++ with a ResNet-34 encoder, trained jointly across anatomical regions and fine-tuned per region. The loss function combined pixel-wise L1 loss with IMPACT-Synth, a perceptual loss derived from SAM and TotalSegmentator to enhance structural fidelity. Training was performed using AdamW (initial learning rate = 0.001, halved every 25k steps) on patch-based, normalized, body-masked inputs (320x320 for MRI, 256x256 for CBCT), with random flipping as the only augmentation. No post-processing was applied. Final predictions leveraged test-time augmentation and five-fold ensembling. The best model was selected based on validation MAE. Two registration strategies were evaluated: (i) Elastix with mutual information, consistent with the challenge pipeline, and (ii) IMPACT, a feature-based similarity metric leveraging pretrained segmentation networks. On the local test sets, IMPACT-based registration achieved more accurate and anatomically consistent alignments than mutual-information-based registration, resulting in improved sCT synthesis with lower MAE and more realistic anatomical structures. On the public validation set, however, models trained with Elastix-aligned data achieved higher scores, reflecting a registration bias favoring alignment strategies consistent with the evaluation pipeline. This highlights how registration errors can propagate into supervised learning, influencing both training and evaluation, and potentially inflating performance metrics at the expense of anatomical fidelity. By promoting anatomically consistent alignment, IMPACT helps mitigate this bias and supports the development of more robust and generalizable sCT synthesis models.

  • 4 authors
·
Oct 24, 2025

A Tale of Two Sides of Wafer: Physical Implementation and Block-Level PPA on Flip FET with Dual-sided Signals

As the conventional scaling of logic devices comes to an end, functional wafer backside and 3D transistor stacking are consensus for next-generation logic technology, offering considerable design space extension for powers, signals or even devices on the wafer backside. The Flip FET (FFET), a novel transistor architecture combining 3D transistor stacking and fully functional wafer backside, was recently proposed. With symmetric dual-sided standard cell design, the FFET can deliver around 12.5% cell area scaling and faster but more energy-efficient libraries beyond other stacked transistor technologies such as CFET. Besides, thanks to the novel cell design with dual-sided pins, the FFET supports dual-sided signal routing, delivering better routability and larger backside design space. In this work, we demonstrated a comprehensive FFET evaluation framework considering physical implementation and block-level power-performance-area (PPA) assessment for the first time, in which key functions are dual-sided routing and dual-sided RC extraction. A 32-bit RISC-V core was used for the evaluation here. Compared to the CFET with single-sided signals, the FFET with single-sided signals achieved 23.3% post-P&R core area reduction, 25.0% higher frequency and 11.9% lower power at the same utilization, and 16.0 % higher frequency at the same core area. Meanwhile, the FFET supports dual-sided signals, which can further benefit more from flexible allocation of cell input pins on both sides. By optimizing the input pin density and BEOL routing layer number on each side, 10.6% frequency gain was realized without power degradation compared to the one with single-sided signal routing. Moreover, the routability and power efficiency of FFET barely degrades even with the routing layer number reduced from 12 to 5 on each side, validating the great space for cost-friendly design enabled by FFET.

  • 10 authors
·
Jan 25, 2025

Vitruvion: A Generative Model of Parametric CAD Sketches

Parametric computer-aided design (CAD) tools are the predominant way that engineers specify physical structures, from bicycle pedals to airplanes to printed circuit boards. The key characteristic of parametric CAD is that design intent is encoded not only via geometric primitives, but also by parameterized constraints between the elements. This relational specification can be viewed as the construction of a constraint program, allowing edits to coherently propagate to other parts of the design. Machine learning offers the intriguing possibility of accelerating the design process via generative modeling of these structures, enabling new tools such as autocompletion, constraint inference, and conditional synthesis. In this work, we present such an approach to generative modeling of parametric CAD sketches, which constitute the basic computational building blocks of modern mechanical design. Our model, trained on real-world designs from the SketchGraphs dataset, autoregressively synthesizes sketches as sequences of primitives, with initial coordinates, and constraints that reference back to the sampled primitives. As samples from the model match the constraint graph representation used in standard CAD software, they may be directly imported, solved, and edited according to downstream design tasks. In addition, we condition the model on various contexts, including partial sketches (primers) and images of hand-drawn sketches. Evaluation of the proposed approach demonstrates its ability to synthesize realistic CAD sketches and its potential to aid the mechanical design workflow.

  • 4 authors
·
Sep 28, 2021

CADBench: A Multimodal Benchmark for AI-Assisted CAD Program Generation

Recovering editable CAD programs from images or 3D observations is central to AI-assisted design, but progress is difficult to measure because existing evaluations are fragmented across datasets, modalities, and metrics. We introduce CADBench, a unified benchmark for multimodal CAD program generation. CADBench contains 18,000 evaluation samples spanning six benchmark families derived from DeepCAD, Fusion 360, ABC, MCB, and Objaverse; five input modalities including clean meshes, noisy meshes, single-view renders, photorealistic renders, and multi-view renders; and six metrics covering geometric fidelity, executability, and program compactness. STEP-based families are stratified by B-rep face count and all families are diversity-sampled to support controlled analysis across complexity and object variation. We benchmark eleven CAD-specialized and general-purpose vision-language systems, generating more than 1.4 million CAD programs. Under idealized inputs, specialized mesh-to-CAD models substantially outperform code-generating VLMs, which remain far from reliable CAD program reconstruction. CADBench further reveals three recurring failure modes: reconstruction quality degrades with geometric complexity, CAD-specialized models can be brittle under modality shift, and model rankings change across metrics. Together, these results position CADBench as a diagnostic testbed for measuring progress in editable 3D reconstruction and multimodal CAD understanding. The benchmark is publicly available at https://huggingface.co/datasets/DeCoDELab/CADBench.

  • 6 authors
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May 10

LMBuild: Evaluating LLM Agents for Generating Buildable and Functional Structures

LLM-based agents are increasingly capable of generating complex 3D structures, with the potential to reshape how objects are designed and realized in the physical world. Yet, producing elegant geometry is fundamentally different from producing objects that can be built and perform their intended functions. Existing evaluations largely focus on geometric quality while overlooking physical realizability. We introduce LMBuild, a benchmark for evaluating LLM agents on generating buildable and functional structures. LMBuild represents generated objects as assembled structures comprising part decompositions, joints, materials, and sequences. To support reproducible evaluation, we provide a unified framework consisting of: (1) an interactive environment in which agents can use tools to retrieve, create, and place components to construct objects; (2) a curated benchmark that repurposes established CAD datasets and augments them with knowledge from Wikipedia; and (3) a evaluation framework covering structural soundness, functional affordance, design quality, and physical realization. Evaluations across 30 systems reveal several intriguing findings: (a) Soundness and alignment are no longer the primary bottlenecks for frontier closed-source models, while functional affordance and physical operability remain substantially more challenging; (b) stronger models more effectively create new components, whereas weaker models tend to rely on retrieval; and (c) providing functional specifications substantially improves part completeness, kinematics, and physical operability. These results show that generating real-world structures requires deeper reasoning about functional affordances, mechanics, and designing and creating novel components. We expect LMBuild to provide a foundation for measuring progress and incentivizing research toward agents that generate buildable and functional structures.

InvDesMobility: a reliability-gated first-principles feedback framework for closed-loop materials discovery

Inverse materials design starts from target functionality and searches for structures that can realize it. Its value in closed-loop discovery depends not only on prediction performance, but also on whether expensive first-principles results are independently validated, provenance-recorded, and admitted as feedback only when evidence is sufficient. This is especially important for composite properties such as carrier mobility, where a final scalar value hides intermediate quantities, fit quality, convergence history, and workflow assumptions. Here we present InvDesMobility, a reliability-gated first-principles feedback framework that integrates multi-agent automated DFT, evidence stratification, generative structure proposal, acquisition ranking, and auditable release. Using 516 2DMatPedia-derived candidates, the workflow produced 280 QC-passed materials and 573 retained carrier-direction seed channels after channel-level reliability gating. These records were split into two feedback objects: relaxed structures updated the generative model, while retained mobility channels trained the acquisition model and set validation priority. Over multiple iterations, InvDesMobility screened 2.4 x 10^6 structures, submitted 102 candidates for DFT validation, and retained 86 reliability-gated generated channels across 41 formulas. Overall, the main contribution is not a fixed list of high-mobility materials, but a transferable feedback contract that makes closed-loop inverse design both useful and auditable when learning from expensive calculated properties. All source data, retained feedback records, and workflows are available at https://github.com/DreamLufei/invDesMobility, with an accompanying evidence website at https://dreamlufei.github.io/invDesMobility/.

  • 5 authors
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Jun 14

SchGen: PCB Schematic Generation with Semantic-Grounded Code Representations

Printed circuit board (PCB) schematic design defines nearly all electronic hardware, but it remains manual and expertise-intensive. While generative AI has advanced digital and analog IC design, PCB schematic generation from natural-language intent is largely unexplored. This paper presents SchGen, the first large language model that generates editable PCB schematics from natural-language requests. The key challenge lies in the lack of an LLM-suited representation and a large-scale dataset. Current schematic formats are dominated by verbose, tool-specific syntax and geometry-heavy descriptions, making them difficult to generate reliably. We introduce a semantically grounded code representation that encodes schematic editing primitives with relative placement and pin-name-based wiring, transforming a geometry-driven generation problem into a semantics-driven matching task amenable to LLMs. We further construct a large-scale dataset of PCB schematics paired with user prompts via a human-agent collaborative pipeline that converts open-source hardware designs into our representation. Experiments show that SchGen significantly outperforms alternative representations and even larger general-purpose LLMs on wire connectivity accuracy and functional correctness. Our results highlight the critical role of representation design in enabling generative models for complex hardware design tasks.

  • 4 authors
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May 27

Microscale stress-geometry interactions in an additively manufactured NiTi cardiovascular stent: A synchrotron dual imaging tomography and diffraction study

This study explores cardiovascular stents fabricated using laser powder bed fusion (LPBF); an emerging method to offer patient-specific customisable parts. Here, the shape memory alloy NiTi, in a near equiatomic composition, was investigated to deconvolve the material response from macroscopic component effects. Specifically, stress-geometry interactions were revealed, in-situ, for a minaturised cardiovascular stent subjected to an externally applied cylindrical stress whilst acquiring synchrotron X-ray imaging and diffraction data. The approach enabled the collection of spatially resolved micromechanical deformation data; the formation of stress-induced martensite and R-phase was evident, occurring in locations near junctions between stent ligaments where stress concentrations exist. In the as-fabricated condition, hardness maps were obtained through nanoindentation, demonstrating that the localised deformation and deformation patterning is further controlled by porosity and microstructural heterogeneity. Electron backscatter diffraction (EBSD) supported these observations, showing a finer grain structure near stent junctions with higher associated lattice curvature. These features, combined with stress concentrations when loaded will initiate localised phase transformations. If the stent was subjected to repeated loading, representing in-vivo conditions, these regions would be susceptible to cyclic damage through transformation memory loss, leading to premature component failure. This study highlights the challenges that must be addressed for the post-processing treatment of LABF-processed stents for healthcare-related applications.

  • 11 authors
·
Dec 12, 2023

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

GIFT: Bootstrapping Image-to-CAD Program Synthesis via Geometric Feedback

Generating executable CAD programs from images requires alignment between visual geometry and symbolic program representations, a capability that current methods fail to learn reliably as design complexity increases. Existing fine-tuning approaches rely on either limited supervised datasets or expensive post-training pipelines, resulting in brittle systems that restrict progress in generative CAD design. We argue that the primary bottleneck lies not in model or algorithmic capacity, but in the scarcity of diverse training examples that align visual geometry with program syntax. This limitation is especially acute because the collection of diverse and verified engineering datasets is both expensive and difficult to scale, constraining the development of robust generative CAD models. We introduce Geometric Inference Feedback Tuning (GIFT), a data augmentation framework that leverages geometric feedback to turn test-time compute into a bootstrapped set of high-quality training samples. GIFT combines two mechanisms: Soft-Rejection Sampling (GIFT-REJECT), which retains diverse high-fidelity programs beyond exact ground-truth matches, and Failure-Driven Augmentation (GIFT-FAIL), which converts near-miss predictions into synthetic training examples that improve robustness on challenging geometries. By amortizing inference-time search into the model parameters, GIFT captures the benefits of test-time scaling while reducing inference compute by 80%. It improves mean IoU by 12% over a strong supervised baseline and remains competitive with more complex multimodal systems, without requiring additional human annotation or specialized architectures.

  • 6 authors
·
Mar 27

MedShapeNet -- A Large-Scale Dataset of 3D Medical Shapes for Computer Vision

Prior to the deep learning era, shape was commonly used to describe the objects. Nowadays, state-of-the-art (SOTA) algorithms in medical imaging are predominantly diverging from computer vision, where voxel grids, meshes, point clouds, and implicit surface models are used. This is seen from numerous shape-related publications in premier vision conferences as well as the growing popularity of ShapeNet (about 51,300 models) and Princeton ModelNet (127,915 models). For the medical domain, we present a large collection of anatomical shapes (e.g., bones, organs, vessels) and 3D models of surgical instrument, called MedShapeNet, created to facilitate the translation of data-driven vision algorithms to medical applications and to adapt SOTA vision algorithms to medical problems. As a unique feature, we directly model the majority of shapes on the imaging data of real patients. As of today, MedShapeNet includes 23 dataset with more than 100,000 shapes that are paired with annotations (ground truth). Our data is freely accessible via a web interface and a Python application programming interface (API) and can be used for discriminative, reconstructive, and variational benchmarks as well as various applications in virtual, augmented, or mixed reality, and 3D printing. Exemplary, we present use cases in the fields of classification of brain tumors, facial and skull reconstructions, multi-class anatomy completion, education, and 3D printing. In future, we will extend the data and improve the interfaces. The project pages are: https://medshapenet.ikim.nrw/ and https://github.com/Jianningli/medshapenet-feedback

  • 157 authors
·
Aug 30, 2023

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

Zero-to-CAD: Agentic Synthesis of Interpretable CAD Programs at Million-Scale Without Real Data

Computer-Aided Design (CAD) models are defined by their construction history: a parametric recipe that encodes design intent. However, existing large-scale 3D datasets predominantly consist of boundary representations (B-Reps) or meshes, stripping away this critical procedural information. To address this scarcity, we introduce Zero-to-CAD, a scalable framework for synthesizing executable CAD construction sequences. We frame synthesis as an agentic search problem: by embedding a large language model (LLM) within a feedback-driven CAD environment, our system iteratively generates, executes, and validates code using tools and documentation lookup to promote geometric validity and operation diversity. This agentic approach enables the synthesis of approximately one million executable, readable, editable CAD sequences, covering a rich vocabulary of operations beyond sketch-and-extrude workflows. We also release a curated subset of 100,000 high-quality models selected for geometric diversity. To demonstrate the dataset's utility, we fine-tune a vision-language model on our synthetic data to reconstruct editable CAD programs from multi-view images, outperforming strong baselines, including GPT-5.2, and effectively bootstrapping sequence generation capabilities without real construction-history training data. Zero-to-CAD bridges the gap between geometric scale and parametric interpretability, offering a vital resource for the next generation of CAD AI.

  • 4 authors
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Apr 26 1

Self-Improving CAD Generation Agents with Finite Element Analysis as Feedback

Computer-aided design (CAD) is the backbone of modern industrial design, yet learned CAD generators still fall short of real engineering pipelines: they neither iterate like engineers nor evaluate what engineering requires. Prior work has treated CAD generation as two disjoint steps, part synthesis and assembly, where the former is graded by proximity to a gold reference and the latter, when handled at all, is reduced to a separate constraint solving step. In this work, we introduce a more industry-native task formulation that requires a model to produce a fully assembled multi-part STEP file from a free-form engineering brief, which is then validated via finite element analysis (FEA). FEA validation reveals that Codex (GPT-5.5) and Claude Code (Opus-4.7) agents do not produce a single strict-passing artifact in the main first-attempt sweep, with the best configuration meeting only about 20% of typed requirements on average. Moreover, we introduce two additional supervision signals, a novel text-only blueprint schema and a 21-view image renderer that aids the agent's visual inspection, that better align the generation loop with how engineers iterate in practice. On S2O and Fusion360, the same feedback tools improve geometric reconstruction, with GPT-5.5/xhigh rising from 0.444 to 0.592 Box-IoU on S2O and from 0.397 to 0.505 on Fusion360. Together these signals move CAD programs toward artifacts that are not only visually plausible but also checked against physical and structural requirements.

AutoResearch at Production Scale: Failure Modes and a Multi-Agent Framework

Optimizing embedding systems for production recommendation pipelines demands systematic exploration that consumes disproportionate engineering effort at scale. We apply Andrej Karpathy's AutoResearch paradigm -- a large language model that iteratively edits a training script and retains modifications that improve a held-out scalar metric -- to automate this exploration. We report on twelve weeks of running this paradigm at production scale, where iterations consume hours of multi-GPU compute, evaluation involves competing criteria, and campaigns span weeks across many training jobs. Across two independently developed representation-learning systems for a book recommendation pipeline, we ran 220+ experiments and observed five recurring failure modes absent from the original setting: infrastructure fragility, agent memory decay, search-direction stagnation, iteration-cost asymmetry, and metric fixation. We contribute a three-principle scaffolding design -- prevent, persist, redirect -- that maps each failure mode to a structural remedy and whose instantiation scales with iteration cost. The framework produced a 1.82x Recall@6 lift and a 2.1x coherence lift over hand-tuned baselines, and the agent autonomously designed a text-only fallback that expanded catalog coverage by 5.8x. The two systems span nearly three orders of magnitude in per-iteration cost yet exhibit the same failure modes, suggesting these are structural properties of production-scale autonomous research rather than artifacts of either application.

amazon Amazon
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Sep 23 2

Modeling and design of heterogeneous hierarchical bioinspired spider web structures using generative deep learning and additive manufacturing

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.

  • 3 authors
·
Apr 11, 2023

From Density to Geometry: YOLOv8 Instance Segmentation for Reverse Engineering of Optimized Structures

This paper introduces YOLOv8-TO, a novel approach for reverse engineering of topology-optimized structures into interpretable geometric parameters using the YOLOv8 instance segmentation model. Density-based topology optimization methods require post-processing to convert the optimal density distribution into a parametric representation for design exploration and integration with CAD tools. Traditional methods such as skeletonization struggle with complex geometries and require manual intervention. YOLOv8-TO addresses these challenges by training a custom YOLOv8 model to automatically detect and reconstruct structural components from binary density distributions. The model is trained on a diverse dataset of both optimized and random structures generated using the Moving Morphable Components method. A custom reconstruction loss function based on the dice coefficient of the predicted geometry is used to train the new regression head of the model via self-supervised learning. The method is evaluated on test sets generated from different topology optimization methods, including out-of-distribution samples, and compared against a skeletonization approach. Results show that YOLOv8-TO significantly outperforms skeletonization in reconstructing visually and structurally similar designs. The method showcases an average improvement of 13.84% in the Dice coefficient, with peak enhancements reaching 20.78%. The method demonstrates good generalization to complex geometries and fast inference times, making it suitable for integration into design workflows using regular workstations. Limitations include the sensitivity to non-max suppression thresholds. YOLOv8-TO represents a significant advancement in topology optimization post-processing, enabling efficient and accurate reverse engineering of optimized structures for design exploration and manufacturing.

  • 4 authors
·
Apr 29, 2024

GraphAgents: Knowledge Graph-Guided Agentic AI for Cross-Domain Materials Design

Large Language Models (LLMs) promise to accelerate discovery by reasoning across the expanding scientific landscape. Yet, the challenge is no longer access to information but connecting it in meaningful, domain-spanning ways. In materials science, where innovation demands integrating concepts from molecular chemistry to mechanical performance, this is especially acute. Neither humans nor single-agent LLMs can fully contend with this torrent of information, with the latter often prone to hallucinations. To address this bottleneck, we introduce a multi-agent framework guided by large-scale knowledge graphs to find sustainable substitutes for per- and polyfluoroalkyl substances (PFAS)-chemicals currently under intense regulatory scrutiny. Agents in the framework specialize in problem decomposition, evidence retrieval, design parameter extraction, and graph traversal, uncovering latent connections across distinct knowledge pockets to support hypothesis generation. Ablation studies show that the full multi-agent pipeline outperforms single-shot prompting, underscoring the value of distributed specialization and relational reasoning. We demonstrate that by tailoring graph traversal strategies, the system alternates between exploitative searches focusing on domain-critical outcomes and exploratory searches surfacing emergent cross-connections. Illustrated through the exemplar of biomedical tubing, the framework generates sustainable PFAS-free alternatives that balance tribological performance, thermal stability, chemical resistance, and biocompatibility. This work establishes a framework combining knowledge graphs with multi-agent reasoning to expand the materials design space, showcasing several initial design candidates to demonstrate the approach.

Benchmarking in Manipulation Research: The YCB Object and Model Set and Benchmarking Protocols

In this paper we present the Yale-CMU-Berkeley (YCB) Object and Model set, intended to be used to facilitate benchmarking in robotic manipulation, prosthetic design and rehabilitation research. The objects in the set are designed to cover a wide range of aspects of the manipulation problem; it includes objects of daily life with different shapes, sizes, textures, weight and rigidity, as well as some widely used manipulation tests. The associated database provides high-resolution RGBD scans, physical properties, and geometric models of the objects for easy incorporation into manipulation and planning software platforms. In addition to describing the objects and models in the set along with how they were chosen and derived, we provide a framework and a number of example task protocols, laying out how the set can be used to quantitatively evaluate a range of manipulation approaches including planning, learning, mechanical design, control, and many others. A comprehensive literature survey on existing benchmarks and object datasets is also presented and their scope and limitations are discussed. The set will be freely distributed to research groups worldwide at a series of tutorials at robotics conferences, and will be otherwise available at a reasonable purchase cost. It is our hope that the ready availability of this set along with the ground laid in terms of protocol templates will enable the community of manipulation researchers to more easily compare approaches as well as continually evolve benchmarking tests as the field matures.

  • 6 authors
·
Feb 9, 2015

Configurable Foundation Models: Building LLMs from a Modular Perspective

Advancements in LLMs have recently unveiled challenges tied to computational efficiency and continual scalability due to their requirements of huge parameters, making the applications and evolution of these models on devices with limited computation resources and scenarios requiring various abilities increasingly cumbersome. Inspired by modularity within the human brain, there is a growing tendency to decompose LLMs into numerous functional modules, allowing for inference with part of modules and dynamic assembly of modules to tackle complex tasks, such as mixture-of-experts. To highlight the inherent efficiency and composability of the modular approach, we coin the term brick to represent each functional module, designating the modularized structure as configurable foundation models. In this paper, we offer a comprehensive overview and investigation of the construction, utilization, and limitation of configurable foundation models. We first formalize modules into emergent bricks - functional neuron partitions that emerge during the pre-training phase, and customized bricks - bricks constructed via additional post-training to improve the capabilities and knowledge of LLMs. Based on diverse functional bricks, we further present four brick-oriented operations: retrieval and routing, merging, updating, and growing. These operations allow for dynamic configuration of LLMs based on instructions to handle complex tasks. To verify our perspective, we conduct an empirical analysis on widely-used LLMs. We find that the FFN layers follow modular patterns with functional specialization of neurons and functional neuron partitions. Finally, we highlight several open issues and directions for future research. Overall, this paper aims to offer a fresh modular perspective on existing LLM research and inspire the future creation of more efficient and scalable foundational models.

openbmb OpenBMB
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Sep 4, 2024 2

ATLAS: Scaffold-Free Algorithm Synthesis by LLMs via Embedding-Guided Quality-Diversity Search

Most LLM-based automated algorithm design methods optimize a designated component within a human-specified scaffold, fixing overall organization and component interactions. We present ATLAS, an embedding-guided quality-diversity framework for scaffold-free full-algorithm synthesis in combinatorial optimization. The problem specification supplies objectives and constraints; a minimal I/O interface fixes only instance and solution formats; the LLM chooses and restructures components, interactions, and control flow. This freedom enlarges the search space, risking invalid candidates and premature convergence to one design region. ATLAS independently detects execution, interface, and feasibility failures, recomputes objectives, and applies error-conditioned repair; similarity-based archive management preserves algorithms across embedding-space regions to counter premature convergence. Its three-layer search refines the best design, gives other regions dedicated refinement opportunities, and performs cross-region synthesis to recombine components and their interactions. Across four NP-hard problems, ATLAS outperforms several state-of-the-art component-synthesis methods and a matched full-synthesis baseline while remaining competitive with strong human-designed algorithms. One ATLAS run retains several algorithms with comparable performance from distinct embedding-space regions rather than a single design. Code inspection finds that these multi-component designs differ in their primary construction or global-search backbone. Our results suggest that embedding-guided quality-diversity search can make the enlarged full-algorithm design space practically searchable. Source code and exact executable prompts are available at <https://github.com/Danial-Yazdani/ATLAS>.

  • 5 authors
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Aug 15

Tailor3D: Customized 3D Assets Editing and Generation with Dual-Side Images

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.

  • 10 authors
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Jul 8, 2024 1

Integrating Large Language Models for Automated Structural Analysis

Automated analysis for engineering structures offers considerable potential for boosting efficiency by minimizing repetitive tasks. Although AI-driven methods are increasingly common, no systematic framework yet leverages Large Language Models (LLMs) for automatic structural analysis. To address this gap, we propose a novel framework that integrates LLMs with structural analysis software. LLMs serve as the core engine: they parse structural descriptions from text and translate them into executable Python scripts. Moreover, the framework integrates the generative capabilities of LLMs with code-based finite element (FE) tools like OpenSeesPy. It employs domain-specific prompt design and in-context learning strategies to enhance the LLM's problem-solving capabilities and generative stability, enabling fully automated structural analysis from descriptive text to model outputs. In our experiments, we introduce a well-curated small-scale benchmark dataset of 20 structural analysis word problems (SAWPs) with ground-truth solutions and evaluate the performance of different LLMs within our framework in solving these SAWPs. The role of system instructions, crafted by structural engineers, is also investigated to understand their impact on LLM-driven structural analysis. Additionally, the generative stability of our framework is examined. Through multiple validation experiments on the benchmark, our results demonstrate that the proposed framework can substantially increase the level of automation in solving SAWPs compared to traditional methods. Quantitatively, the framework, built on GPT-4o, achieved 100% accuracy, surpassing GPT-4 (85%), Gemini 1.5 Pro (80%), and Llama-3.3 (30%) on the test examples. Furthermore, integrating domain-specific instructions enhanced performance by 30% on problems with asymmetrical structural configurations.

  • 3 authors
·
Apr 13, 2025

MeLM, a generative pretrained language modeling framework that solves forward and inverse mechanics problems

We report a flexible multi-modal mechanics language model, MeLM, applied to solve various nonlinear forward and inverse problems, that can deal with a set of instructions, numbers and microstructure data. The framework is applied to various examples including bio-inspired hierarchical honeycomb design, carbon nanotube mechanics, and protein unfolding. In spite of the flexible nature of the model-which allows us to easily incorporate diverse materials, scales, and mechanical features-it performs well across disparate forward and inverse tasks. Based on an autoregressive attention-model, MeLM effectively represents a large multi-particle system consisting of hundreds of millions of neurons, where the interaction potentials are discovered through graph-forming self-attention mechanisms that are then used to identify relationships from emergent structures, while taking advantage of synergies discovered in the training data. We show that the model can solve complex degenerate mechanics design problems and determine novel material architectures across a range of hierarchical levels, providing an avenue for materials discovery and analysis. Looking beyond the demonstrations reported in this paper, we discuss other opportunities in applied mechanics and general considerations about the use of large language models in modeling, design, and analysis that can span a broad spectrum of material properties from mechanical, thermal, optical, to electronic.

  • 1 authors
·
Jun 30, 2023

LapidaryEngine: Fully Conversational Crystal Generation

The emergence of Large Language Models (LLMs) has inspired the vision of generating bespoke crystal materials directly from natural-language instructions, enabling users to design materials through intuitive, conversational interaction. Existing text-to-crystal generative models represent important early steps toward this goal, but they suffer from two critical limitations: (i) restricted input formats that require highly structured descriptions (e.g., chemical formulas), and (ii) one-directional generation, where models can map text to crystal but cannot perform the inverse. These limitations prevent fully conversational workflows and hinder alignment with users' inherently ambiguous and evolving desiderata. We address these challenges with LapidaryEngine, the first model to support fully conversational crystal generation. LapidaryEngine accepts free-form natural-language requests and performs iterative refinement and editing in a dialogue-like manner. The key innovation is a pivot representation, a third, intermediate form that enables bidirectional translation between text and crystal structures despite the absence of direct paired datasets. Leveraging this pivot allows robust interpretation of user feedback and precise structural control. We demonstrate LapidaryEngine across diverse tasks, including insulator discovery, stability optimization, compositional modification, and structural editing, showcasing its ability to align generated materials with user intent in an interactive manner.

  • 4 authors
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Jun 11

Generative Inverse Design of Metamaterials with Functional Responses by Interpretable Learning

Metamaterials with functional responses can exhibit varying properties under different conditions (e.g., wave-based responses or deformation-induced property variation). This work addresses the rapid inverse design of such metamaterials to meet target qualitative functional behaviors, a challenge due to its intractability and non-unique solutions. Unlike data-intensive and non-interpretable deep-learning-based methods, we propose the Random-forest-based Interpretable Generative Inverse Design (RIGID), a single-shot inverse design method for fast generation of metamaterial designs with on-demand functional behaviors. RIGID leverages the interpretability of a random forest-based "designrightarrowresponse" forward model, eliminating the need for a more complex "responserightarrowdesign" inverse model. Based on the likelihood of target satisfaction derived from the trained random forest, one can sample a desired number of design solutions using Markov chain Monte Carlo methods. We validate RIGID on acoustic and optical metamaterial design problems, each with fewer than 250 training samples. Compared to the genetic algorithm-based design generation approach, RIGID generates satisfactory solutions that cover a broader range of the design space, allowing for better consideration of additional figures of merit beyond target satisfaction. This work offers a new perspective on solving on-demand inverse design problems, showcasing the potential for incorporating interpretable machine learning into generative design under small data constraints.

  • 5 authors
·
Dec 7, 2023

INSIGHT: Universal Neural Simulator for Analog Circuits Harnessing Autoregressive Transformers

Analog front-end design heavily relies on specialized human expertise and costly trial-and-error simulations, which motivated many prior works on analog design automation. However, efficient and effective exploration of the vast and complex design space remains constrained by the time-consuming nature of SPICE simulations, making effective design automation a challenging endeavor. In this paper, we introduce INSIGHT, a GPU-powered, technology-agnostic, effective universal neural simulator in the analog front-end design automation loop. INSIGHT accurately predicts the performance metrics of analog circuits across various technologies with just a few microseconds of inference time. Notably, its autoregressive capabilities enable INSIGHT to accurately predict simulation-costly critical transient specifications leveraging less expensive performance metric information. The low cost and high fidelity feature make INSIGHT a good substitute for standard simulators in analog front-end optimization frameworks. INSIGHT is compatible with any optimization framework, facilitating enhanced design space exploration for sample efficiency through sophisticated offline learning and adaptation techniques. Our experiments demonstrate that INSIGHT-M, a model-based batch reinforcement learning sizing framework with INSIGHT as the accurate surrogate, only requires < 20 real-time simulations with 100-1000x lower simulation costs and significant speedup over existing sizing methods.

  • 6 authors
·
Jul 9, 2024

Higher-Order Knowledge Representations for Agentic Scientific Reasoning

Scientific inquiry requires systems-level reasoning that integrates heterogeneous experimental data, cross-domain knowledge, and mechanistic evidence into coherent explanations. While Large Language Models (LLMs) offer inferential capabilities, they often depend on retrieval-augmented contexts that lack structural depth. Traditional Knowledge Graphs (KGs) attempt to bridge this gap, yet their pairwise constraints fail to capture the irreducible higher-order interactions that govern emergent physical behavior. To address this, we introduce a methodology for constructing hypergraph-based knowledge representations that faithfully encode multi-entity relationships. Applied to a corpus of ~1,100 manuscripts on biocomposite scaffolds, our framework constructs a global hypergraph of 161,172 nodes and 320,201 hyperedges, revealing a scale-free topology (power law exponent ~1.23) organized around highly connected conceptual hubs. This representation prevents the combinatorial explosion typical of pairwise expansions and explicitly preserves the co-occurrence context of scientific formulations. We further demonstrate that equipping agentic systems with hypergraph traversal tools, specifically using node-intersection constraints, enables them to bridge semantically distant concepts. By exploiting these higher-order pathways, the system successfully generates grounded mechanistic hypotheses for novel composite materials, such as linking cerium oxide to PCL scaffolds via chitosan intermediates. This work establishes a "teacherless" agentic reasoning system where hypergraph topology acts as a verifiable guardrail, accelerating scientific discovery by uncovering relationships obscured by traditional graph methods.

  • 2 authors
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Jan 8

Meshy T2: Fast Native Mesh Generation with Flow Matching

Polygonal meshes are the standard surface representation of modern 3D pipelines, and generating high-quality meshes with artist-style topology is essential for film, gaming, and interactive 3D applications. Mainstream approaches serialize a mesh into a token sequence and decode it autoregressively, which is slow at inference and sensitive to error accumulation, making them impractical for interactive asset creation. We present Meshy T2, a fast native mesh generation framework built on flow matching. At its core is a vertex-set mesh VAE that encodes a mesh into one continuous latent token per vertex and decodes vertices, edge connectivity, and face winding order in a single pass, preserving high-precision geometry and artist-authored topology without vertex quantization or welding. Generation proceeds as a coarse-to-fine cascade of two flow-matching models: an image-conditioned voxel flow first sketches the overall shape as a coarse occupancy scaffold, and a mesh flow then populates the scaffold with per-vertex latent tokens, conditioned on the image, the scaffold, and a requested vertex budget. This design delivers three practical capabilities: interactive generation speed through parallel flow-based synthesis; effective face-count control through the requested vertex budget; and native support for multi-part assets, whose components emerge directly from the generated connectivity. In our experiments, Meshy T2 achieves state-of-the-art geometric fidelity and completes end-to-end image-to-mesh generation within a median of 6 seconds, over an order of magnitude faster than autoregressive baselines. Code and weights will be available at https://github.com/meshy-dev/meshy-t2.

meshy-ai-team Meshy
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Jul 27 1