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Feb 16

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

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

  • 3 authors
·
Jul 3, 2023

Trace is the New AutoDiff -- Unlocking Efficient Optimization of Computational Workflows

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

  • 3 authors
·
Jun 23, 2024 1

Learning to Optimize: A Primer and A Benchmark

Learning to optimize (L2O) is an emerging approach that leverages machine learning to develop optimization methods, aiming at reducing the laborious iterations of hand engineering. It automates the design of an optimization method based on its performance on a set of training problems. This data-driven procedure generates methods that can efficiently solve problems similar to those in the training. In sharp contrast, the typical and traditional designs of optimization methods are theory-driven, so they obtain performance guarantees over the classes of problems specified by the theory. The difference makes L2O suitable for repeatedly solving a certain type of optimization problems over a specific distribution of data, while it typically fails on out-of-distribution problems. The practicality of L2O depends on the type of target optimization, the chosen architecture of the method to learn, and the training procedure. This new paradigm has motivated a community of researchers to explore L2O and report their findings. This article is poised to be the first comprehensive survey and benchmark of L2O for continuous optimization. We set up taxonomies, categorize existing works and research directions, present insights, and identify open challenges. We also benchmarked many existing L2O approaches on a few but representative optimization problems. For reproducible research and fair benchmarking purposes, we released our software implementation and data in the package Open-L2O at https://github.com/VITA-Group/Open-L2O.

  • 7 authors
·
Mar 23, 2021

BODex: Scalable and Efficient Robotic Dexterous Grasp Synthesis Using Bilevel Optimization

Robotic dexterous grasping is important for interacting with the environment. To unleash the potential of data-driven models for dexterous grasping, a large-scale, high-quality dataset is essential. While gradient-based optimization offers a promising way for constructing such datasets, previous works suffer from limitations, such as inefficiency, strong assumptions in the grasp quality energy, or limited object sets for experiments. Moreover, the lack of a standard benchmark for comparing different methods and datasets hinders progress in this field. To address these challenges, we develop a highly efficient synthesis system and a comprehensive benchmark with MuJoCo for dexterous grasping. We formulate grasp synthesis as a bilevel optimization problem, combining a novel lower-level quadratic programming (QP) with an upper-level gradient descent process. By leveraging recent advances in CUDA-accelerated robotic libraries and GPU-based QP solvers, our system can parallelize thousands of grasps and synthesize over 49 grasps per second on a single 3090 GPU. Our synthesized grasps for Shadow, Allegro, and Leap hands all achieve a success rate above 75% in simulation, with a penetration depth under 1 mm, outperforming existing baselines on nearly all metrics. Compared to the previous large-scale dataset, DexGraspNet, our dataset significantly improves the performance of learning models, with a success rate from around 40% to 80% in simulation. Real-world testing of the trained model on the Shadow Hand achieves an 81% success rate across 20 diverse objects. The codes and datasets are released on our project page: https://pku-epic.github.io/BODex.

  • 3 authors
·
Dec 21, 2024

ComposeAnyone: Controllable Layout-to-Human Generation with Decoupled Multimodal Conditions

Building on the success of diffusion models, significant advancements have been made in multimodal image generation tasks. Among these, human image generation has emerged as a promising technique, offering the potential to revolutionize the fashion design process. However, existing methods often focus solely on text-to-image or image reference-based human generation, which fails to satisfy the increasingly sophisticated demands. To address the limitations of flexibility and precision in human generation, we introduce ComposeAnyone, a controllable layout-to-human generation method with decoupled multimodal conditions. Specifically, our method allows decoupled control of any part in hand-drawn human layouts using text or reference images, seamlessly integrating them during the generation process. The hand-drawn layout, which utilizes color-blocked geometric shapes such as ellipses and rectangles, can be easily drawn, offering a more flexible and accessible way to define spatial layouts. Additionally, we introduce the ComposeHuman dataset, which provides decoupled text and reference image annotations for different components of each human image, enabling broader applications in human image generation tasks. Extensive experiments on multiple datasets demonstrate that ComposeAnyone generates human images with better alignment to given layouts, text descriptions, and reference images, showcasing its multi-task capability and controllability.

  • 9 authors
·
Jan 21, 2025

DSO: Aligning 3D Generators with Simulation Feedback for Physical Soundness

Most 3D object generators focus on aesthetic quality, often neglecting physical constraints necessary in applications. One such constraint is that the 3D object should be self-supporting, i.e., remains balanced under gravity. Prior approaches to generating stable 3D objects used differentiable physics simulators to optimize geometry at test-time, which is slow, unstable, and prone to local optima. Inspired by the literature on aligning generative models to external feedback, we propose Direct Simulation Optimization (DSO), a framework to use the feedback from a (non-differentiable) simulator to increase the likelihood that the 3D generator outputs stable 3D objects directly. We construct a dataset of 3D objects labeled with a stability score obtained from the physics simulator. We can then fine-tune the 3D generator using the stability score as the alignment metric, via direct preference optimization (DPO) or direct reward optimization (DRO), a novel objective, which we introduce, to align diffusion models without requiring pairwise preferences. Our experiments show that the fine-tuned feed-forward generator, using either DPO or DRO objective, is much faster and more likely to produce stable objects than test-time optimization. Notably, the DSO framework works even without any ground-truth 3D objects for training, allowing the 3D generator to self-improve by automatically collecting simulation feedback on its own outputs.

  • 4 authors
·
Mar 28, 2025 2

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

HandRefiner: Refining Malformed Hands in Generated Images by Diffusion-based Conditional Inpainting

Diffusion models have achieved remarkable success in generating realistic images but suffer from generating accurate human hands, such as incorrect finger counts or irregular shapes. This difficulty arises from the complex task of learning the physical structure and pose of hands from training images, which involves extensive deformations and occlusions. For correct hand generation, our paper introduces a lightweight post-processing solution called HandRefiner. HandRefiner employs a conditional inpainting approach to rectify malformed hands while leaving other parts of the image untouched. We leverage the hand mesh reconstruction model that consistently adheres to the correct number of fingers and hand shape, while also being capable of fitting the desired hand pose in the generated image. Given a generated failed image due to malformed hands, we utilize ControlNet modules to re-inject such correct hand information. Additionally, we uncover a phase transition phenomenon within ControlNet as we vary the control strength. It enables us to take advantage of more readily available synthetic data without suffering from the domain gap between realistic and synthetic hands. Experiments demonstrate that HandRefiner can significantly improve the generation quality quantitatively and qualitatively. The code is available at https://github.com/wenquanlu/HandRefiner .

  • 5 authors
·
Nov 29, 2023

Hierarchical Reinforcement Learning for Articulated Tool Manipulation with Multifingered Hand

Manipulating articulated tools, such as tweezers or scissors, has rarely been explored in previous research. Unlike rigid tools, articulated tools change their shape dynamically, creating unique challenges for dexterous robotic hands. In this work, we present a hierarchical, goal-conditioned reinforcement learning (GCRL) framework to improve the manipulation capabilities of anthropomorphic robotic hands using articulated tools. Our framework comprises two policy layers: (1) a low-level policy that enables the dexterous hand to manipulate the tool into various configurations for objects of different sizes, and (2) a high-level policy that defines the tool's goal state and controls the robotic arm for object-picking tasks. We employ an encoder, trained on synthetic pointclouds, to estimate the tool's affordance states--specifically, how different tool configurations (e.g., tweezer opening angles) enable grasping of objects of varying sizes--from input point clouds, thereby enabling precise tool manipulation. We also utilize a privilege-informed heuristic policy to generate replay buffer, improving the training efficiency of the high-level policy. We validate our approach through real-world experiments, showing that the robot can effectively manipulate a tweezer-like tool to grasp objects of diverse shapes and sizes with a 70.8 % success rate. This study highlights the potential of RL to advance dexterous robotic manipulation of articulated tools.

  • 4 authors
·
Jul 9, 2025

CADCrafter: Generating Computer-Aided Design Models from Unconstrained Images

Creating CAD digital twins from the physical world is crucial for manufacturing, design, and simulation. However, current methods typically rely on costly 3D scanning with labor-intensive post-processing. To provide a user-friendly design process, we explore the problem of reverse engineering from unconstrained real-world CAD images that can be easily captured by users of all experiences. However, the scarcity of real-world CAD data poses challenges in directly training such models. To tackle these challenges, we propose CADCrafter, an image-to-parametric CAD model generation framework that trains solely on synthetic textureless CAD data while testing on real-world images. To bridge the significant representation disparity between images and parametric CAD models, we introduce a geometry encoder to accurately capture diverse geometric features. Moreover, the texture-invariant properties of the geometric features can also facilitate the generalization to real-world scenarios. Since compiling CAD parameter sequences into explicit CAD models is a non-differentiable process, the network training inherently lacks explicit geometric supervision. To impose geometric validity constraints, we employ direct preference optimization (DPO) to fine-tune our model with the automatic code checker feedback on CAD sequence quality. Furthermore, we collected a real-world dataset, comprised of multi-view images and corresponding CAD command sequence pairs, to evaluate our method. Experimental results demonstrate that our approach can robustly handle real unconstrained CAD images, and even generalize to unseen general objects.

  • 11 authors
·
Apr 7, 2025

GraspXL: Generating Grasping Motions for Diverse Objects at Scale

Human hands possess the dexterity to interact with diverse objects such as grasping specific parts of the objects and/or approaching them from desired directions. More importantly, humans can grasp objects of any shape without object-specific skills. Recent works synthesize grasping motions following single objectives such as a desired approach heading direction or a grasping area. Moreover, they usually rely on expensive 3D hand-object data during training and inference, which limits their capability to synthesize grasping motions for unseen objects at scale. In this paper, we unify the generation of hand-object grasping motions across multiple motion objectives, diverse object shapes and dexterous hand morphologies in a policy learning framework GraspXL. The objectives are composed of the graspable area, heading direction during approach, wrist rotation, and hand position. Without requiring any 3D hand-object interaction data, our policy trained with 58 objects can robustly synthesize diverse grasping motions for more than 500k unseen objects with a success rate of 82.2%. At the same time, the policy adheres to objectives, which enables the generation of diverse grasps per object. Moreover, we show that our framework can be deployed to different dexterous hands and work with reconstructed or generated objects. We quantitatively and qualitatively evaluate our method to show the efficacy of our approach. Our model, code, and the large-scale generated motions are available at https://eth-ait.github.io/graspxl/.

  • 5 authors
·
Mar 28, 2024 1

Evolution Gym: A Large-Scale Benchmark for Evolving Soft Robots

Both the design and control of a robot play equally important roles in its task performance. However, while optimal control is well studied in the machine learning and robotics community, less attention is placed on finding the optimal robot design. This is mainly because co-optimizing design and control in robotics is characterized as a challenging problem, and more importantly, a comprehensive evaluation benchmark for co-optimization does not exist. In this paper, we propose Evolution Gym, the first large-scale benchmark for co-optimizing the design and control of soft robots. In our benchmark, each robot is composed of different types of voxels (e.g., soft, rigid, actuators), resulting in a modular and expressive robot design space. Our benchmark environments span a wide range of tasks, including locomotion on various types of terrains and manipulation. Furthermore, we develop several robot co-evolution algorithms by combining state-of-the-art design optimization methods and deep reinforcement learning techniques. Evaluating the algorithms on our benchmark platform, we observe robots exhibiting increasingly complex behaviors as evolution progresses, with the best evolved designs solving many of our proposed tasks. Additionally, even though robot designs are evolved autonomously from scratch without prior knowledge, they often grow to resemble existing natural creatures while outperforming hand-designed robots. Nevertheless, all tested algorithms fail to find robots that succeed in our hardest environments. This suggests that more advanced algorithms are required to explore the high-dimensional design space and evolve increasingly intelligent robots -- an area of research in which we hope Evolution Gym will accelerate progress. Our website with code, environments, documentation, and tutorials is available at http://evogym.csail.mit.edu.

  • 5 authors
·
Jan 24, 2022

OptiBench Meets ReSocratic: Measure and Improve LLMs for Optimization Modeling

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

  • 10 authors
·
Jul 13, 2024

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

G-LNS: Generative Large Neighborhood Search for LLM-Based Automatic Heuristic Design

While Large Language Models (LLMs) have recently shown promise in Automated Heuristic Design (AHD), existing approaches typically formulate AHD around constructive priority rules or parameterized local search guidance, thereby restricting the search space to fixed heuristic forms. Such designs offer limited capacity for structural exploration, making it difficult to escape deep local optima in complex Combinatorial Optimization Problems (COPs). In this work, we propose G-LNS, a generative evolutionary framework that extends LLM-based AHD to the automated design of Large Neighborhood Search (LNS) operators. Unlike prior methods that evolve heuristics in isolation, G-LNS leverages LLMs to co-evolve tightly coupled pairs of destroy and repair operators. A cooperative evaluation mechanism explicitly captures their interaction, enabling the discovery of complementary operator logic that jointly performs effective structural disruption and reconstruction. Extensive experiments on challenging COP benchmarks, such as Traveling Salesman Problems (TSP) and Capacitated Vehicle Routing Problems (CVRP), demonstrate that G-LNS significantly outperforms LLM-based AHD methods as well as strong classical solvers. The discovered heuristics not only achieve near-optimal solutions with reduced computational budgets but also exhibit robust generalization across diverse and unseen instance distributions.

  • 3 authors
·
Feb 8 3

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

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

  • 3 authors
·
May 18, 2023

DEsignBench: Exploring and Benchmarking DALL-E 3 for Imagining Visual Design

We introduce DEsignBench, a text-to-image (T2I) generation benchmark tailored for visual design scenarios. Recent T2I models like DALL-E 3 and others, have demonstrated remarkable capabilities in generating photorealistic images that align closely with textual inputs. While the allure of creating visually captivating images is undeniable, our emphasis extends beyond mere aesthetic pleasure. We aim to investigate the potential of using these powerful models in authentic design contexts. In pursuit of this goal, we develop DEsignBench, which incorporates test samples designed to assess T2I models on both "design technical capability" and "design application scenario." Each of these two dimensions is supported by a diverse set of specific design categories. We explore DALL-E 3 together with other leading T2I models on DEsignBench, resulting in a comprehensive visual gallery for side-by-side comparisons. For DEsignBench benchmarking, we perform human evaluations on generated images in DEsignBench gallery, against the criteria of image-text alignment, visual aesthetic, and design creativity. Our evaluation also considers other specialized design capabilities, including text rendering, layout composition, color harmony, 3D design, and medium style. In addition to human evaluations, we introduce the first automatic image generation evaluator powered by GPT-4V. This evaluator provides ratings that align well with human judgments, while being easily replicable and cost-efficient. A high-resolution version is available at https://github.com/design-bench/design-bench.github.io/raw/main/designbench.pdf?download=

  • 5 authors
·
Oct 23, 2023 2

DesignPref: Capturing Personal Preferences in Visual Design Generation

Generative models, such as large language models and text-to-image diffusion models, are increasingly used to create visual designs like user interfaces (UIs) and presentation slides. Finetuning and benchmarking these generative models have often relied on datasets of human-annotated design preferences. Yet, due to the subjective and highly personalized nature of visual design, preference varies widely among individuals. In this paper, we study this problem by introducing DesignPref, a dataset of 12k pairwise comparisons of UI design generation annotated by 20 professional designers with multi-level preference ratings. We found that among trained designers, substantial levels of disagreement exist (Krippendorff's alpha = 0.25 for binary preferences). Natural language rationales provided by these designers indicate that disagreements stem from differing perceptions of various design aspect importance and individual preferences. With DesignPref, we demonstrate that traditional majority-voting methods for training aggregated judge models often do not accurately reflect individual preferences. To address this challenge, we investigate multiple personalization strategies, particularly fine-tuning or incorporating designer-specific annotations into RAG pipelines. Our results show that personalized models consistently outperform aggregated baseline models in predicting individual designers' preferences, even when using 20 times fewer examples. Our work provides the first dataset to study personalized visual design evaluation and support future research into modeling individual design taste.

  • 3 authors
·
Nov 25, 2025

Fast and Accurate Bayesian Optimization with Pre-trained Transformers for Constrained Engineering Problems

Bayesian Optimization (BO) is a foundational strategy in the field of engineering design optimization for efficiently handling black-box functions with many constraints and expensive evaluations. This paper introduces a fast and accurate BO framework that leverages Pre-trained Transformers for Bayesian Optimization (PFN4sBO) to address constrained optimization problems in engineering. Unlike traditional BO methods that rely heavily on Gaussian Processes (GPs), our approach utilizes Prior-data Fitted Networks (PFNs), a type of pre-trained transformer, to infer constraints and optimal solutions without requiring any iterative retraining. We demonstrate the effectiveness of PFN-based BO through a comprehensive benchmark consisting of fifteen test problems, encompassing synthetic, structural, and engineering design challenges. Our findings reveal that PFN-based BO significantly outperforms Constrained Expected Improvement and Penalty-based GP methods by an order of magnitude in speed while also outperforming them in accuracy in identifying feasible, optimal solutions. This work showcases the potential of integrating machine learning with optimization techniques in solving complex engineering challenges, heralding a significant leap forward for optimization methodologies, opening up the path to using PFN-based BO to solve other challenging problems, such as enabling user-guided interactive BO, adaptive experiment design, or multi-objective design optimization. Additionally, we establish a benchmark for evaluating BO algorithms in engineering design, offering a robust platform for future research and development in the field. This benchmark framework for evaluating new BO algorithms in engineering design will be published at https://github.com/rosenyu304/BOEngineeringBenchmark.

  • 4 authors
·
Apr 6, 2024

EngiBench: A Framework for Data-Driven Engineering Design Research

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

  • 12 authors
·
Jun 2, 2025 1

Prompt Optimization with Human Feedback

Large language models (LLMs) have demonstrated remarkable performances in various tasks. However, the performance of LLMs heavily depends on the input prompt, which has given rise to a number of recent works on prompt optimization. However, previous works often require the availability of a numeric score to assess the quality of every prompt. Unfortunately, when a human user interacts with a black-box LLM, attaining such a score is often infeasible and unreliable. Instead, it is usually significantly easier and more reliable to obtain preference feedback from a human user, i.e., showing the user the responses generated from a pair of prompts and asking the user which one is preferred. Therefore, in this paper, we study the problem of prompt optimization with human feedback (POHF), in which we aim to optimize the prompt for a black-box LLM using only human preference feedback. Drawing inspiration from dueling bandits, we design a theoretically principled strategy to select a pair of prompts to query for preference feedback in every iteration, and hence introduce our algorithm named automated POHF (APOHF). We apply our APOHF algorithm to various tasks, including optimizing user instructions, prompt optimization for text-to-image generative models, and response optimization with human feedback (i.e., further refining the response using a variant of our APOHF). The results demonstrate that our APOHF can efficiently find a good prompt using a small number of preference feedback instances. Our code can be found at https://github.com/xqlin98/APOHF.

  • 6 authors
·
May 27, 2024

AnyRefill: A Unified, Data-Efficient Framework for Left-Prompt-Guided Vision Tasks

In this paper, we present a novel Left-Prompt-Guided (LPG) paradigm to address a diverse range of reference-based vision tasks. Inspired by the human creative process, we reformulate these tasks using a left-right stitching formulation to construct contextual input. Building upon this foundation, we propose AnyRefill, an extension of LeftRefill, that effectively adapts Text-to-Image (T2I) models to various vision tasks. AnyRefill leverages the inpainting priors of advanced T2I model based on the Diffusion Transformer (DiT) architecture, and incorporates flexible components to enhance its capabilities. By combining task-specific LoRAs with the stitching input, AnyRefill unlocks its potential across diverse tasks, including conditional generation, visual perception, and image editing, without requiring additional visual encoders. Meanwhile, AnyRefill exhibits remarkable data efficiency, requiring minimal task-specific fine-tuning while maintaining high generative performance. Through extensive ablation studies, we demonstrate that AnyRefill outperforms other image condition injection methods and achieves competitive results compared to state-of-the-art open-source methods. Notably, AnyRefill delivers results comparable to advanced commercial tools, such as IC-Light and SeedEdit, even in challenging scenarios. Comprehensive experiments and ablation studies across versatile tasks validate the strong generation of the proposed simple yet effective LPG formulation, establishing AnyRefill as a unified, highly data-efficient solution for reference-based vision tasks.

  • 6 authors
·
Feb 16, 2025

Stroke3D: Lifting 2D strokes into rigged 3D model via latent diffusion models

Rigged 3D assets are fundamental to 3D deformation and animation. However, existing 3D generation methods face challenges in generating animatable geometry, while rigging techniques lack fine-grained structural control over skeleton creation. To address these limitations, we introduce Stroke3D, a novel framework that directly generates rigged meshes from user inputs: 2D drawn strokes and a descriptive text prompt. Our approach pioneers a two-stage pipeline that separates the generation into: 1) Controllable Skeleton Generation, we employ the Skeletal Graph VAE (Sk-VAE) to encode the skeleton's graph structure into a latent space, where the Skeletal Graph DiT (Sk-DiT) generates a skeletal embedding. The generation process is conditioned on both the text for semantics and the 2D strokes for explicit structural control, with the VAE's decoder reconstructing the final high-quality 3D skeleton; and 2) Enhanced Mesh Synthesis via TextuRig and SKA-DPO, where we then synthesize a textured mesh conditioned on the generated skeleton. For this stage, we first enhance an existing skeleton-to-mesh model by augmenting its training data with TextuRig: a dataset of textured and rigged meshes with captions, curated from Objaverse-XL. Additionally, we employ a preference optimization strategy, SKA-DPO, guided by a skeleton-mesh alignment score, to further improve geometric fidelity. Together, our framework enables a more intuitive workflow for creating ready to animate 3D content. To the best of our knowledge, our work is the first to generate rigged 3D meshes conditioned on user-drawn 2D strokes. Extensive experiments demonstrate that Stroke3D produces plausible skeletons and high-quality meshes.

PosterLLaVa: Constructing a Unified Multi-modal Layout Generator with LLM

Layout generation is the keystone in achieving automated graphic design, requiring arranging the position and size of various multi-modal design elements in a visually pleasing and constraint-following manner. Previous approaches are either inefficient for large-scale applications or lack flexibility for varying design requirements. Our research introduces a unified framework for automated graphic layout generation, leveraging the multi-modal large language model (MLLM) to accommodate diverse design tasks. In contrast, our data-driven method employs structured text (JSON format) and visual instruction tuning to generate layouts under specific visual and textual constraints, including user-defined natural language specifications. We conducted extensive experiments and achieved state-of-the-art (SOTA) performance on public multi-modal layout generation benchmarks, demonstrating the effectiveness of our method. Moreover, recognizing existing datasets' limitations in capturing the complexity of real-world graphic designs, we propose two new datasets for much more challenging tasks (user-constrained generation and complicated poster), further validating our model's utility in real-life settings. Marking by its superior accessibility and adaptability, this approach further automates large-scale graphic design tasks. The code and datasets will be publicly available on https://github.com/posterllava/PosterLLaVA.

  • 6 authors
·
Jun 4, 2024 2

GeoSDF: Plane Geometry Diagram Synthesis via Signed Distance Field

Plane Geometry Diagram Synthesis has been a crucial task in computer graphics, with applications ranging from educational tools to AI-driven mathematical reasoning. Traditionally, we rely on manual tools (e.g., Matplotlib and GeoGebra) to generate precise diagrams, but this usually requires huge, complicated calculations. Recently, researchers start to work on model-based methods (e.g., Stable Diffusion and GPT5) to automatically generate diagrams, saving operational cost but usually suffering from limited realism and insufficient accuracy. In this paper, we propose a novel framework GeoSDF, to automatically generate diagrams efficiently and accurately with Signed Distance Field (SDF). Specifically, we first represent geometric elements (e.g., points, segments, and circles) in the SDF, then construct a series of constraint functions to represent geometric relationships. Next, we optimize those constructed constraint functions to get an optimized field of both elements and constraints. Finally, by rendering the optimized field, we can obtain the synthesized diagram. In our GeoSDF, we define a symbolic language to represent geometric elements and constraints, and our synthesized geometry diagrams can be self-verified in the SDF, ensuring both mathematical accuracy and visual plausibility. In experiments, through both qualitative and quantitative analysis, GeoSDF synthesized both normal high-school level and IMO-level geometry diagrams. We achieve 88.67\% synthesis accuracy by human evaluation in the IMO problem set. Furthermore, we obtain a very high accuracy of solving geometry problems (over 95\% while the current SOTA accuracy is around 75%) by leveraging our self-verification property. All of these demonstrate the advantage of GeoSDF, paving the way for more sophisticated, accurate, and flexible generation of geometric diagrams for a wide array of applications.

  • 7 authors
·
Jun 16, 2025

Aligning Optimization Trajectories with Diffusion Models for Constrained Design Generation

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and engineering to accelerate the design process and reduce the reliance on iterative optimization, challenges remain. Specifically, engineering optimization methods based on physics still outperform generative models when dealing with constrained environments where data is scarce and precision is paramount. To address these challenges, we introduce Diffusion Optimization Models (DOM) and Trajectory Alignment (TA), a learning framework that demonstrates the efficacy of aligning the sampling trajectory of diffusion models with the optimization trajectory derived from traditional physics-based methods. This alignment ensures that the sampling process remains grounded in the underlying physical principles. Our method allows for generating feasible and high-performance designs in as few as two steps without the need for expensive preprocessing, external surrogate models, or additional labeled data. We apply our framework to structural topology optimization, a fundamental problem in mechanical design, evaluating its performance on in- and out-of-distribution configurations. Our results demonstrate that TA outperforms state-of-the-art deep generative models on in-distribution configurations and halves the inference computational cost. When coupled with a few steps of optimization, it also improves manufacturability for out-of-distribution conditions. By significantly improving performance and inference efficiency, DOM enables us to generate high-quality designs in just a few steps and guide them toward regions of high performance and manufacturability, paving the way for the widespread application of generative models in large-scale data-driven design.

  • 4 authors
·
May 29, 2023

The Unreasonable Effectiveness of Eccentric Automatic Prompts

Large Language Models (LLMs) have demonstrated remarkable problem-solving and basic mathematics abilities. However, their efficacy is highly contingent on the formulation of the prompt. This study endeavors to quantify the influence of incorporating "positive thinking" into the system message of the prompt, then compare that to systematic prompt optimization. We assess the performance of 60 combinations of system message snippets, tested with and without Chain of Thought prompting, across three models with parameters ranging from 7 to 70 billion on the GSM8K dataset. Our findings reveal that results do not universally generalize across models. In most instances, the inclusion of "positive thinking" prompts positively affected model performance. Notably, however, Llama2-70B exhibited an exception when not utilizing Chain of Thought, as the optimal system message was found to be none at all. Given the combinatorial complexity, and thus computation time, of experimenting with hand-tuning prompts for large black-box models, we then compared the performance of the best "positive thinking" prompt against the output of systematic prompt optimization. We show that employing an automated prompt optimizer emerges as the most effective method for enhancing performance, even when working with smaller open-source models. Additionally, our findings reveal that the highest-scoring, automatically-optimized prompt exhibits a degree of peculiarity far beyond expectations.

  • 2 authors
·
Feb 9, 2024 1

UGG: Unified Generative Grasping

Dexterous grasping aims to produce diverse grasping postures with a high grasping success rate. Regression-based methods that directly predict grasping parameters given the object may achieve a high success rate but often lack diversity. Generation-based methods that generate grasping postures conditioned on the object can often produce diverse grasping, but they are insufficient for high grasping success due to lack of discriminative information. To mitigate, we introduce a unified diffusion-based dexterous grasp generation model, dubbed the name UGG, which operates within the object point cloud and hand parameter spaces. Our all-transformer architecture unifies the information from the object, the hand, and the contacts, introducing a novel representation of contact points for improved contact modeling. The flexibility and quality of our model enable the integration of a lightweight discriminator, benefiting from simulated discriminative data, which pushes for a high success rate while preserving high diversity. Beyond grasp generation, our model can also generate objects based on hand information, offering valuable insights into object design and studying how the generative model perceives objects. Our model achieves state-of-the-art dexterous grasping on the large-scale DexGraspNet dataset while facilitating human-centric object design, marking a significant advancement in dexterous grasping research. Our project page is https://jiaxin-lu.github.io/ugg/ .

  • 7 authors
·
Nov 28, 2023

Eureka: Human-Level Reward Design via Coding Large Language Models

Large Language Models (LLMs) have excelled as high-level semantic planners for sequential decision-making tasks. However, harnessing them to learn complex low-level manipulation tasks, such as dexterous pen spinning, remains an open problem. We bridge this fundamental gap and present Eureka, a human-level reward design algorithm powered by LLMs. Eureka exploits the remarkable zero-shot generation, code-writing, and in-context improvement capabilities of state-of-the-art LLMs, such as GPT-4, to perform evolutionary optimization over reward code. The resulting rewards can then be used to acquire complex skills via reinforcement learning. Without any task-specific prompting or pre-defined reward templates, Eureka generates reward functions that outperform expert human-engineered rewards. In a diverse suite of 29 open-source RL environments that include 10 distinct robot morphologies, Eureka outperforms human experts on 83% of the tasks, leading to an average normalized improvement of 52%. The generality of Eureka also enables a new gradient-free in-context learning approach to reinforcement learning from human feedback (RLHF), readily incorporating human inputs to improve the quality and the safety of the generated rewards without model updating. Finally, using Eureka rewards in a curriculum learning setting, we demonstrate for the first time, a simulated Shadow Hand capable of performing pen spinning tricks, adeptly manipulating a pen in circles at rapid speed.

  • 9 authors
·
Oct 19, 2023 3

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

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

  • 7 authors
·
Aug 13, 2025

LLM-driven Indoor Scene Layout Generation via Scaled Human-aligned Data Synthesis and Multi-Stage Preference Optimization

Automatic indoor layout generation has attracted increasing attention due to its potential in interior design, virtual environment construction, and embodied AI. Existing methods fall into two categories: prompt-driven approaches that leverage proprietary LLM services (e.g., GPT APIs) and learning-based methods trained on layout data upon diffusion-based models. Prompt-driven methods often suffer from spatial inconsistency and high computational costs, while learning-based methods are typically constrained by coarse relational graphs and limited datasets, restricting their generalization to diverse room categories. In this paper, we revisit LLM-based indoor layout generation and present 3D-SynthPlace, a large-scale dataset that combines synthetic layouts generated via a 'GPT synthesize, Human inspect' pipeline, upgraded from the 3D-Front dataset. 3D-SynthPlace contains nearly 17,000 scenes, covering four common room types -- bedroom, living room, kitchen, and bathroom -- enriched with diverse objects and high-level spatial annotations. We further introduce OptiScene, a strong open-source LLM optimized for indoor layout generation, fine-tuned based on our 3D-SynthPlace dataset through our two-stage training. For the warum-up stage I, we adopt supervised fine-tuning (SFT), which is taught to first generate high-level spatial descriptions then conditionally predict concrete object placements. For the reinforcing stage II, to better align the generated layouts with human design preferences, we apply multi-turn direct preference optimization (DPO), which significantly improving layout quality and generation success rates. Extensive experiments demonstrate that OptiScene outperforms traditional prompt-driven and learning-based baselines. Moreover, OptiScene shows promising potential in interactive tasks such as scene editing and robot navigation.

  • 8 authors
·
Jun 9, 2025

Anyprefer: An Agentic Framework for Preference Data Synthesis

High-quality preference data is essential for aligning foundation models with human values through preference learning. However, manual annotation of such data is often time-consuming and costly. Recent methods often adopt a self-rewarding approach, where the target model generates and annotates its own preference data, but this can lead to inaccuracies since the reward model shares weights with the target model, thereby amplifying inherent biases. To address these issues, we propose Anyprefer, a framework designed to synthesize high-quality preference data for aligning the target model. Anyprefer frames the data synthesis process as a cooperative two-player Markov Game, where the target model and the judge model collaborate together. Here, a series of external tools are introduced to assist the judge model in accurately rewarding the target model's responses, mitigating biases in the rewarding process. In addition, a feedback mechanism is introduced to optimize prompts for both models, enhancing collaboration and improving data quality. The synthesized data is compiled into a new preference dataset, Anyprefer-V1, consisting of 58K high-quality preference pairs. Extensive experiments show that Anyprefer significantly improves model alignment performance across four main applications, covering 21 datasets, achieving average improvements of 18.55% in five natural language generation datasets, 3.66% in nine vision-language understanding datasets, 30.05% in three medical image analysis datasets, and 16.00% in four visuo-motor control tasks.

  • 16 authors
·
Apr 27, 2025

carps: A Framework for Comparing N Hyperparameter Optimizers on M Benchmarks

Hyperparameter Optimization (HPO) is crucial to develop well-performing machine learning models. In order to ease prototyping and benchmarking of HPO methods, we propose carps, a benchmark framework for Comprehensive Automated Research Performance Studies allowing to evaluate N optimizers on M benchmark tasks. In this first release of carps, we focus on the four most important types of HPO task types: blackbox, multi-fidelity, multi-objective and multi-fidelity-multi-objective. With 3 336 tasks from 5 community benchmark collections and 28 variants of 9 optimizer families, we offer the biggest go-to library to date to evaluate and compare HPO methods. The carps framework relies on a purpose-built, lightweight interface, gluing together optimizers and benchmark tasks. It also features an analysis pipeline, facilitating the evaluation of optimizers on benchmarks. However, navigating a huge number of tasks while developing and comparing methods can be computationally infeasible. To address this, we obtain a subset of representative tasks by minimizing the star discrepancy of the subset, in the space spanned by the full set. As a result, we propose an initial subset of 10 to 30 diverse tasks for each task type, and include functionality to re-compute subsets as more benchmarks become available, enabling efficient evaluations. We also establish a first set of baseline results on these tasks as a measure for future comparisons. With carps (https://www.github.com/automl/CARP-S), we make an important step in the standardization of HPO evaluation.

  • 17 authors
·
Jun 6, 2025

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

CHORD: Category-level Hand-held Object Reconstruction via Shape Deformation

In daily life, humans utilize hands to manipulate objects. Modeling the shape of objects that are manipulated by the hand is essential for AI to comprehend daily tasks and to learn manipulation skills. However, previous approaches have encountered difficulties in reconstructing the precise shapes of hand-held objects, primarily owing to a deficiency in prior shape knowledge and inadequate data for training. As illustrated, given a particular type of tool, such as a mug, despite its infinite variations in shape and appearance, humans have a limited number of 'effective' modes and poses for its manipulation. This can be attributed to the fact that humans have mastered the shape prior of the 'mug' category, and can quickly establish the corresponding relations between different mug instances and the prior, such as where the rim and handle are located. In light of this, we propose a new method, CHORD, for Category-level Hand-held Object Reconstruction via shape Deformation. CHORD deforms a categorical shape prior for reconstructing the intra-class objects. To ensure accurate reconstruction, we empower CHORD with three types of awareness: appearance, shape, and interacting pose. In addition, we have constructed a new dataset, COMIC, of category-level hand-object interaction. COMIC contains a rich array of object instances, materials, hand interactions, and viewing directions. Extensive evaluation shows that CHORD outperforms state-of-the-art approaches in both quantitative and qualitative measures. Code, model, and datasets are available at https://kailinli.github.io/CHORD.

  • 9 authors
·
Aug 21, 2023

OPT-Engine: Benchmarking the Limits of LLMs in Optimization Modeling via Complexity Scaling

Large Language Models (LLMs) have demonstrated impressive progress in optimization modeling, fostering a rapid expansion of new methodologies and evaluation benchmarks. However, the boundaries of their capabilities in automated formulation and problem solving remain poorly understood, particularly when extending to complex, real-world tasks. To bridge this gap, we propose OPT-ENGINE, an extensible benchmark framework designed to evaluate LLMs on optimization modeling with controllable and scalable difficulty levels. OPT-ENGINE spans 10 canonical tasks across operations research, with five Linear Programming and five Mixed-Integer Programming. Utilizing OPT-ENGINE, we conduct an extensive study of LLMs' reasoning capabilities, addressing two critical questions: 1.) Do LLMs' performance remain robust when generalizing to out-of-distribution optimization tasks that scale in complexity beyond current benchmark levels? and 2.) At what stage, from problem interpretation to solution generation, do current LLMs encounter the most significant bottlenecks? Our empirical results yield two key insights: first, tool-integrated reasoning with external solvers exhibits significantly higher robustness as task complexity escalates, while pure-text reasoning reaches a ceiling; second, the automated formulation of constraints constitutes the primary performance bottleneck. These findings provide actionable guidance for developing next-generation LLMs for advanced optimization. Our code is publicly available at blue{https://github.com/Cardinal-Operations/OPTEngine}.

  • 5 authors
·
Jan 9

Behavior Alignment via Reward Function Optimization

Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task. This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn behavior alignment reward functions. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality -- some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.

  • 5 authors
·
Oct 29, 2023 1

FORGE: Foundational Optimization Representations from Graph Embeddings

Combinatorial optimization problems are ubiquitous in science and engineering. Still, learning-based approaches to accelerate combinatorial optimization often require solving a large number of difficult instances to collect training data, incurring significant computational cost. Existing learning-based methods require training dedicated models for each problem distribution, for each downstream task, severely limiting their scalability and generalization. We introduce Forge: Foundational Optimization Representations from Graph Embeddings, a framework that pre-trains a vector-quantized graph autoencoder on a large, diverse collection of mixed-integer programming (MIP) instances in an unsupervised manner, without relying on optimization solvers or optimal solutions. Vector quantization produces discrete code assignments that serve as a vocabulary for representing optimization instances. We evaluate Forge in both unsupervised and supervised settings. In the unsupervised setting, Forge embeddings effectively cluster unseen instances across problem domains and sizes. In the supervised setting, we fine-tune Forge embeddings and show that a single pre-trained model helps predicting both the integrality gap for cut-generation and variable hints for search guidance across multiple problem and size distributions. In both tasks, we improve the performance of a commercial optimization solver and outperform state-of-the-art learning-based methods. Finally, we open-source our training code, pre-trained Forge weights, and embeddings for multiple MIP distributions to foster further research in representation learning for optimization problems.

  • 2 authors
·
Aug 27, 2025

Automated Design of Agentic Systems

Researchers are investing substantial effort in developing powerful general-purpose agents, wherein Foundation Models are used as modules within agentic systems (e.g. Chain-of-Thought, Self-Reflection, Toolformer). However, the history of machine learning teaches us that hand-designed solutions are eventually replaced by learned solutions. We formulate a new research area, Automated Design of Agentic Systems (ADAS), which aims to automatically create powerful agentic system designs, including inventing novel building blocks and/or combining them in new ways. We further demonstrate that there is an unexplored yet promising approach within ADAS where agents can be defined in code and new agents can be automatically discovered by a meta agent programming ever better ones in code. Given that programming languages are Turing Complete, this approach theoretically enables the learning of any possible agentic system: including novel prompts, tool use, control flows, and combinations thereof. We present a simple yet effective algorithm named Meta Agent Search to demonstrate this idea, where a meta agent iteratively programs interesting new agents based on an ever-growing archive of previous discoveries. Through extensive experiments across multiple domains including coding, science, and math, we show that our algorithm can progressively invent agents with novel designs that greatly outperform state-of-the-art hand-designed agents. Importantly, we consistently observe the surprising result that agents invented by Meta Agent Search maintain superior performance even when transferred across domains and models, demonstrating their robustness and generality. Provided we develop it safely, our work illustrates the potential of an exciting new research direction toward automatically designing ever-more powerful agentic systems to benefit humanity.

  • 3 authors
·
Aug 15, 2024 3

CoDA: Coordinated Diffusion Noise Optimization for Whole-Body Manipulation of Articulated Objects

Synthesizing whole-body manipulation of articulated objects, including body motion, hand motion, and object motion, is a critical yet challenging task with broad applications in virtual humans and robotics. The core challenges are twofold. First, achieving realistic whole-body motion requires tight coordination between the hands and the rest of the body, as their movements are interdependent during manipulation. Second, articulated object manipulation typically involves high degrees of freedom and demands higher precision, often requiring the fingers to be placed at specific regions to actuate movable parts. To address these challenges, we propose a novel coordinated diffusion noise optimization framework. Specifically, we perform noise-space optimization over three specialized diffusion models for the body, left hand, and right hand, each trained on its own motion dataset to improve generalization. Coordination naturally emerges through gradient flow along the human kinematic chain, allowing the global body posture to adapt in response to hand motion objectives with high fidelity. To further enhance precision in hand-object interaction, we adopt a unified representation based on basis point sets (BPS), where end-effector positions are encoded as distances to the same BPS used for object geometry. This unified representation captures fine-grained spatial relationships between the hand and articulated object parts, and the resulting trajectories serve as targets to guide the optimization of diffusion noise, producing highly accurate interaction motion. We conduct extensive experiments demonstrating that our method outperforms existing approaches in motion quality and physical plausibility, and enables various capabilities such as object pose control, simultaneous walking and manipulation, and whole-body generation from hand-only data.

  • 4 authors
·
May 27, 2025 2

Deep Reinforcement Learning from Hierarchical Weak Preference Feedback

Reward design is a fundamental, yet challenging aspect of practical reinforcement learning (RL). For simple tasks, researchers typically handcraft the reward function, e.g., using a linear combination of several reward factors. However, such reward engineering is subject to approximation bias, incurs large tuning cost, and often cannot provide the granularity required for complex tasks. To avoid these difficulties, researchers have turned to reinforcement learning from human feedback (RLHF), which learns a reward function from human preferences between pairs of trajectory sequences. By leveraging preference-based reward modeling, RLHF learns complex rewards that are well aligned with human preferences, allowing RL to tackle increasingly difficult problems. Unfortunately, the applicability of RLHF is limited due to the high cost and difficulty of obtaining human preference data. In light of this cost, we investigate learning reward functions for complex tasks with less human effort; simply by ranking the importance of the reward factors. More specifically, we propose a new RL framework -- HERON, which compares trajectories using a hierarchical decision tree induced by the given ranking. These comparisons are used to train a preference-based reward model, which is then used for policy learning. We find that our framework can not only train high performing agents on a variety of difficult tasks, but also provide additional benefits such as improved sample efficiency and robustness. Our code is available at https://github.com/abukharin3/HERON.

  • 5 authors
·
Sep 5, 2023

Discovering Temporally-Aware Reinforcement Learning Algorithms

Recent advancements in meta-learning have enabled the automatic discovery of novel reinforcement learning algorithms parameterized by surrogate objective functions. To improve upon manually designed algorithms, the parameterization of this learned objective function must be expressive enough to represent novel principles of learning (instead of merely recovering already established ones) while still generalizing to a wide range of settings outside of its meta-training distribution. However, existing methods focus on discovering objective functions that, like many widely used objective functions in reinforcement learning, do not take into account the total number of steps allowed for training, or "training horizon". In contrast, humans use a plethora of different learning objectives across the course of acquiring a new ability. For instance, students may alter their studying techniques based on the proximity to exam deadlines and their self-assessed capabilities. This paper contends that ignoring the optimization time horizon significantly restricts the expressive potential of discovered learning algorithms. We propose a simple augmentation to two existing objective discovery approaches that allows the discovered algorithm to dynamically update its objective function throughout the agent's training procedure, resulting in expressive schedules and increased generalization across different training horizons. In the process, we find that commonly used meta-gradient approaches fail to discover such adaptive objective functions while evolution strategies discover highly dynamic learning rules. We demonstrate the effectiveness of our approach on a wide range of tasks and analyze the resulting learned algorithms, which we find effectively balance exploration and exploitation by modifying the structure of their learning rules throughout the agent's lifetime.

  • 6 authors
·
Feb 8, 2024

VTON-HandFit: Virtual Try-on for Arbitrary Hand Pose Guided by Hand Priors Embedding

Although diffusion-based image virtual try-on has made considerable progress, emerging approaches still struggle to effectively address the issue of hand occlusion (i.e., clothing regions occluded by the hand part), leading to a notable degradation of the try-on performance. To tackle this issue widely existing in real-world scenarios, we propose VTON-HandFit, leveraging the power of hand priors to reconstruct the appearance and structure for hand occlusion cases. Firstly, we tailor a Handpose Aggregation Net using the ControlNet-based structure explicitly and adaptively encoding the global hand and pose priors. Besides, to fully exploit the hand-related structure and appearance information, we propose Hand-feature Disentanglement Embedding module to disentangle the hand priors into the hand structure-parametric and visual-appearance features, and customize a masked cross attention for further decoupled feature embedding. Lastly, we customize a hand-canny constraint loss to better learn the structure edge knowledge from the hand template of model image. VTON-HandFit outperforms the baselines in qualitative and quantitative evaluations on the public dataset and our self-collected hand-occlusion Handfit-3K dataset particularly for the arbitrary hand pose occlusion cases in real-world scenarios. The Code and dataset will be available at https://github.com/VTON-HandFit/VTON-HandFit.

  • 8 authors
·
Aug 22, 2024

Self-NPO: Data-Free Diffusion Model Enhancement via Truncated Diffusion Fine-Tuning

Diffusion models have demonstrated remarkable success in various visual generation tasks, including image, video, and 3D content generation. Preference optimization (PO) is a prominent and growing area of research that aims to align these models with human preferences. While existing PO methods primarily concentrate on producing favorable outputs, they often overlook the significance of classifier-free guidance (CFG) in mitigating undesirable results. Diffusion-NPO addresses this gap by introducing negative preference optimization (NPO), training models to generate outputs opposite to human preferences and thereby steering them away from unfavorable outcomes through CFG. However, prior NPO approaches rely on costly and fragile procedures for obtaining explicit preference annotations (e.g., manual pairwise labeling or reward model training), limiting their practicality in domains where such data are scarce or difficult to acquire. In this work, we propose Self-NPO, specifically truncated diffusion fine-tuning, a data-free approach of negative preference optimization by directly learning from the model itself, eliminating the need for manual data labeling or reward model training. This data-free approach is highly efficient (less than 1% training cost of Diffusion-NPO) and achieves comparable performance to Diffusion-NPO in a data-free manner. We demonstrate that Self-NPO integrates seamlessly into widely used diffusion models, including SD1.5, SDXL, and CogVideoX, as well as models already optimized for human preferences, consistently enhancing both their generation quality and alignment with human preferences. Code is available at https://github.com/G-U-N/Diffusion-NPO.

  • 7 authors
·
May 16, 2025

Re-HOLD: Video Hand Object Interaction Reenactment via adaptive Layout-instructed Diffusion Model

Current digital human studies focusing on lip-syncing and body movement are no longer sufficient to meet the growing industrial demand, while human video generation techniques that support interacting with real-world environments (e.g., objects) have not been well investigated. Despite human hand synthesis already being an intricate problem, generating objects in contact with hands and their interactions presents an even more challenging task, especially when the objects exhibit obvious variations in size and shape. To tackle these issues, we present a novel video Reenactment framework focusing on Human-Object Interaction (HOI) via an adaptive Layout-instructed Diffusion model (Re-HOLD). Our key insight is to employ specialized layout representation for hands and objects, respectively. Such representations enable effective disentanglement of hand modeling and object adaptation to diverse motion sequences. To further improve the generation quality of HOI, we design an interactive textural enhancement module for both hands and objects by introducing two independent memory banks. We also propose a layout adjustment strategy for the cross-object reenactment scenario to adaptively adjust unreasonable layouts caused by diverse object sizes during inference. Comprehensive qualitative and quantitative evaluations demonstrate that our proposed framework significantly outperforms existing methods. Project page: https://fyycs.github.io/Re-HOLD.

  • 9 authors
·
Mar 21, 2025

BIGS: Bimanual Category-agnostic Interaction Reconstruction from Monocular Videos via 3D Gaussian Splatting

Reconstructing 3Ds of hand-object interaction (HOI) is a fundamental problem that can find numerous applications. Despite recent advances, there is no comprehensive pipeline yet for bimanual class-agnostic interaction reconstruction from a monocular RGB video, where two hands and an unknown object are interacting with each other. Previous works tackled the limited hand-object interaction case, where object templates are pre-known or only one hand is involved in the interaction. The bimanual interaction reconstruction exhibits severe occlusions introduced by complex interactions between two hands and an object. To solve this, we first introduce BIGS (Bimanual Interaction 3D Gaussian Splatting), a method that reconstructs 3D Gaussians of hands and an unknown object from a monocular video. To robustly obtain object Gaussians avoiding severe occlusions, we leverage prior knowledge of pre-trained diffusion model with score distillation sampling (SDS) loss, to reconstruct unseen object parts. For hand Gaussians, we exploit the 3D priors of hand model (i.e., MANO) and share a single Gaussian for two hands to effectively accumulate hand 3D information, given limited views. To further consider the 3D alignment between hands and objects, we include the interacting-subjects optimization step during Gaussian optimization. Our method achieves the state-of-the-art accuracy on two challenging datasets, in terms of 3D hand pose estimation (MPJPE), 3D object reconstruction (CDh, CDo, F10), and rendering quality (PSNR, SSIM, LPIPS), respectively.

  • 7 authors
·
Apr 12, 2025

Multi-fidelity Bayesian Optimization in Engineering Design

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

  • 2 authors
·
Nov 21, 2023

Faithful Bi-Directional Model Steering via Distribution Matching and Distributed Interchange Interventions

Intervention-based model steering offers a lightweight and interpretable alternative to prompting and fine-tuning. However, by adapting strong optimization objectives from fine-tuning, current methods are susceptible to overfitting and often underperform, sometimes generating unnatural outputs. We hypothesize that this is because effective steering requires the faithful identification of internal model mechanisms, not the enforcement of external preferences. To this end, we build on the principles of distributed alignment search (DAS), the standard for causal variable localization, to propose a new steering method: Concept DAS (CDAS). While we adopt the core mechanism of DAS, distributed interchange intervention (DII), we introduce a novel distribution matching objective tailored for the steering task by aligning intervened output distributions with counterfactual distributions. CDAS differs from prior work in two main ways: first, it learns interventions via weak-supervised distribution matching rather than probability maximization; second, it uses DIIs that naturally enable bi-directional steering and allow steering factors to be derived from data, reducing the effort required for hyperparameter tuning and resulting in more faithful and stable control. On AxBench, a large-scale model steering benchmark, we show that CDAS does not always outperform preference-optimization methods but may benefit more from increased model scale. In two safety-related case studies, overriding refusal behaviors of safety-aligned models and neutralizing a chain-of-thought backdoor, CDAS achieves systematic steering while maintaining general model utility. These results indicate that CDAS is complementary to preference-optimization approaches and conditionally constitutes a robust approach to intervention-based model steering. Our code is available at https://github.com/colored-dye/concept_das.

  • 10 authors
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Feb 4

RT-Sketch: Goal-Conditioned Imitation Learning from Hand-Drawn Sketches

Natural language and images are commonly used as goal representations in goal-conditioned imitation learning (IL). However, natural language can be ambiguous and images can be over-specified. In this work, we propose hand-drawn sketches as a modality for goal specification in visual imitation learning. Sketches are easy for users to provide on the fly like language, but similar to images they can also help a downstream policy to be spatially-aware and even go beyond images to disambiguate task-relevant from task-irrelevant objects. We present RT-Sketch, a goal-conditioned policy for manipulation that takes a hand-drawn sketch of the desired scene as input, and outputs actions. We train RT-Sketch on a dataset of paired trajectories and corresponding synthetically generated goal sketches. We evaluate this approach on six manipulation skills involving tabletop object rearrangements on an articulated countertop. Experimentally we find that RT-Sketch is able to perform on a similar level to image or language-conditioned agents in straightforward settings, while achieving greater robustness when language goals are ambiguous or visual distractors are present. Additionally, we show that RT-Sketch has the capacity to interpret and act upon sketches with varied levels of specificity, ranging from minimal line drawings to detailed, colored drawings. For supplementary material and videos, please refer to our website: http://rt-sketch.github.io.

  • 13 authors
·
Mar 5, 2024 1

Self-Supervised Prompt Optimization

Well-designed prompts are crucial for enhancing Large language models' (LLMs) reasoning capabilities while aligning their outputs with task requirements across diverse domains. However, manually designed prompts require expertise and iterative experimentation. While existing prompt optimization methods aim to automate this process, they rely heavily on external references such as ground truth or by humans, limiting their applicability in real-world scenarios where such data is unavailable or costly to obtain. To address this, we propose Self-Supervised Prompt Optimization (SPO), a cost-efficient framework that discovers effective prompts for both closed and open-ended tasks without requiring external reference. Motivated by the observations that prompt quality manifests directly in LLM outputs and LLMs can effectively assess adherence to task requirements, we derive evaluation and optimization signals purely from output comparisons. Specifically, SPO selects superior prompts through pairwise output comparisons evaluated by an LLM evaluator, followed by an LLM optimizer that aligns outputs with task requirements. Extensive experiments demonstrate that SPO outperforms state-of-the-art prompt optimization methods, achieving comparable or superior results with significantly lower costs (e.g., 1.1% to 5.6% of existing methods) and fewer samples (e.g., three samples). The code is available at https://github.com/geekan/MetaGPT.

  • 9 authors
·
Feb 7, 2025 1

Dexonomy: Synthesizing All Dexterous Grasp Types in a Grasp Taxonomy

Generalizable dexterous grasping with suitable grasp types is a fundamental skill for intelligent robots. Developing such skills requires a large-scale and high-quality dataset that covers numerous grasp types (i.e., at least those categorized by the GRASP taxonomy), but collecting such data is extremely challenging. Existing automatic grasp synthesis methods are often limited to specific grasp types or object categories, hindering scalability. This work proposes an efficient pipeline capable of synthesizing contact-rich, penetration-free, and physically plausible grasps for any grasp type, object, and articulated hand. Starting from a single human-annotated template for each hand and grasp type, our pipeline tackles the complicated synthesis problem with two stages: optimize the object to fit the hand template first, and then locally refine the hand to fit the object in simulation. To validate the synthesized grasps, we introduce a contact-aware control strategy that allows the hand to apply the appropriate force at each contact point to the object. Those validated grasps can also be used as new grasp templates to facilitate future synthesis. Experiments show that our method significantly outperforms previous type-unaware grasp synthesis baselines in simulation. Using our algorithm, we construct a dataset containing 10.7k objects and 9.5M grasps, covering 31 grasp types in the GRASP taxonomy. Finally, we train a type-conditional generative model that successfully performs the desired grasp type from single-view object point clouds, achieving an 82.3% success rate in real-world experiments. Project page: https://pku-epic.github.io/Dexonomy.

  • 4 authors
·
Apr 26, 2025

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

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

  • 2 authors
·
Sep 8, 2024 2

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

Beyond One-Preference-Fits-All Alignment: Multi-Objective Direct Preference Optimization

A single language model (LM), despite aligning well with an average labeler through reinforcement learning from human feedback (RLHF), may not universally suit diverse human preferences. Recent approaches therefore opt for customization by collecting multi-dimensional feedback and creating distinct reward models (RMs) for each dimension (e.g., helpfulness, harmlessness, or honesty). Different LMs can then be optimized for different preferences using multi-objective RLHF (MORLHF) with different reward weightings. Yet, RL fine-tuning is unstable and resource-heavy, especially for MORLHF with diverse and usually conflicting objectives. In this paper, we present Multi-Objective Direct Preference Optimization (MODPO), an RL-free algorithm that extends Direct Preference Optimization (DPO) for multiple alignment objectives with minimal overheads. Essentially, MODPO folds language modeling directly into reward modeling, training LMs as implicit collective reward models (cRMs) that combine all objectives with specific weightings. While theoretically guaranteed to produce the same optimal solutions as MORLHF, MODPO is practically more stable and computationally efficient. Empirical results from safety alignment and long-form question answering confirm that MODPO matches or outperforms existing methods, consistently producing a Pareto front of LMs that cater to diverse preferences with 3 times less computational resources compared to MORLHF.

  • 8 authors
·
Oct 5, 2023