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Cyril Picard

Publications and source records attributed to Cyril Picard.

13 recordsLinked to original sources

BOCoDe: Engineering-Centered Benchmarking for Bayesian Optimization

Bayesian optimization (BO) is a sample-efficient, surrogate-based approach to black-box optimization (BBO), but its evaluation remains dominated by synthetic functions and hyperparameter optimization (HPO) tasks that are typically low-dimensional and single-objective. Engineering design poses a substantially different regime: problems are physics-based, often high-dimensional, constrained by requirements such as cost and manufacturability, and may involve multiple objectives or mixed variables. To close this benchmarking gap, we introduce BOCoDe, an open-source, PyTorch-native benchmark comprising 307 BBO problems, including 159 engineering design tasks and widely used synthetic and HPO benchmarks. Each problem includes cited provenance and machine-readable metadata that supports programmatic discovery, including by LLM-based agents, and all tasks are exposed through a unified API compatible with open-source BO libraries. We evaluate 31 BO and evolutionary algorithms across five problem classes spanning single- and multi-objective optimization, constrained and unconstrained settings, and mixed-variable search spaces. Analyses of problem structure show that engineering tasks uniquely span constrained and multi-objective settings that synthetic and HPO suites rarely cover, while embeddings from a tabular foundation model separate them most clearly from HPO tasks. Algorithm rankings also vary substantially across domains; in several problem classes, rankings obtained on standard benchmarks do not transfer to engineering tasks. BOCoDe establishes a reproducible and extensible foundation for developing and evaluating BO methods that better reflect the demands of engineering design. Code & data can be found at https://github.com/rosenyu304/BOCoDe

cs.CE

Engineering Regression Without Real-Data Training: Domain Adaptation for Tabular Foundation Models Using Multi-Dataset Embeddings

Predictive modeling in engineering applications has long been dominated by bespoke models and small, siloed tabular datasets, limiting the applicability of large-scale learning approaches. Despite recent progress in tabular foundation models, the resulting synthetic training distributions used for pre-training may not reflect the statistical structure of engineering data, limiting transfer to engineering regression. We introduce TREDBench, a curated collection of 83 real-world tabular regression datasets with expert engineering/non-engineering labels, and use TabPFN 2.5's dataset-level embedding to study domain structure in a common representation space. We find that engineering datasets are partially distinguishable from non-engineering datasets, while standard procedurally generated datasets are highly distinguishable from engineering datasets, revealing a substantial synthetic-real domain gap. To bridge this gap without training on real engineering samples, we propose an embedding-guided synthetic data curation method: we generate and identify "engineering-like" synthetic datasets, and perform continued pre-training of TabPFN 2.5 using only the selected synthetic tasks. Across 35 engineering regression datasets, this synthetic-only adaptation improves predictive accuracy and data efficiency, outperforming TabPFN 2.5 on 29/35 datasets and AutoGluon on 27/35, with mean multiplicative data-efficiency gains of 1.75x and 4.44x, respectively. More broadly, our results indicate that principled synthetic data curation can convert procedural generators into domain-relevant "data engines," enabling foundation models to improve in data-sparse scientific and industrial domains where real data collection is the primary bottleneck.

cs.LG

Optimize Any Topology: A Foundation Model for Shape- and Resolution-Free Structural Topology Optimization

Structural topology optimization (TO) is central to engineering design but remains computationally intensive due to complex physics and hard constraints. Existing deep-learning methods are limited to fixed square grids, a few hand-coded boundary conditions, and post-hoc optimization, preventing general deployment. We introduce Optimize Any Topology (OAT), a foundation-model framework that directly predicts minimum-compliance layouts for arbitrary aspect ratios, resolutions, volume fractions, loads, and fixtures. OAT combines a resolution- and shape-agnostic autoencoder with an implicit neural-field decoder and a conditional latent-diffusion model trained on OpenTO, a new corpus of 2.2 million optimized structures covering 2 million unique boundary-condition configurations. On four public benchmarks and two challenging unseen tests, OAT lowers mean compliance up to 90% relative to the best prior models and delivers sub-1 second inference on a single GPU across resolutions from 64 x 64 to 256 x 256 and aspect ratios as high as 10:1. These results establish OAT as a general, fast, and resolution-free framework for physics-aware topology optimization and provide a large-scale dataset to spur further research in generative modeling for inverse design. Code & data can be found at https://github.com/ahnobari/OptimizeAnyTopology.

cs.LG

GIT-BO: High-Dimensional Bayesian Optimization with Tabular Foundation Models

Bayesian optimization (BO) struggles in high dimensions, where Gaussian-process surrogates demand heavy retraining and brittle assumptions, slowing progress on real engineering and design problems. We introduce GIT-BO, a Gradient-Informed BO framework that couples TabPFN v2, a tabular foundation model that performs zero-shot Bayesian inference in context, with an active-subspace mechanism computed from the model's own predictive-mean gradients. This aligns exploration to an intrinsic low-dimensional subspace via a Fisher-information estimate and selects queries with a UCB acquisition, requiring no online retraining. Across 60 problem variants spanning 20 benchmarks-nine scalable synthetic families and ten real-world tasks (e.g., power systems, Rover, MOPTA08, Mazda)-up to 500 dimensions, GIT-BO delivers a stronger performance-time trade-off than state-of-the-art GP-based methods (SAASBO, TuRBO, Vanilla BO, BAxUS), ranking highest in performance and with runtime advantages that grow with dimensionality. Limitations include memory footprint and dependence on the capacity of the underlying TFM.

cs.CE

Generative Optimization: A Perspective on AI-Enhanced Problem Solving in Engineering

The field of engineering is shaped by the tools and methods used to solve problems. Optimization is one such class of powerful, robust, and effective engineering tools proven over decades of use. Within just a few years, generative artificial intelligence (GenAI) has risen as another promising tool for general-purpose problem-solving. While optimization shines at precisely identifying highly-optimal solutions, GenAI excels at inferring problem requirements, bridging solution domains, handling mixed data modalities, and rapidly generating copious numbers of solutions. These differing attributes also make the two frameworks complementary. Hybrid `generative optimization' algorithms have gained traction across a few engineering applications and now comprise an emerging paradigm for engineering problem-solving. We expect significant developments in the near future around generative optimization, leading to changes in how engineers solve problems using computational tools. We offer our perspective on existing methods, areas of promise, and key research questions.

cs.CE

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.

cs.CE

Fast and Accurate Zero-Training Classification for Tabular Engineering Data

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

cs.CE

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

Engineering design is undergoing a transformative shift with the advent of AI, marking a new era in how we approach product, system, and service planning. Large language models have demonstrated impressive capabilities in enabling this shift. Yet, with text as their only input modality, they cannot leverage the large body of visual artifacts that engineers have used for centuries and are accustomed to. This gap is addressed with the release of multimodal vision-language models (VLMs), such as GPT-4V, enabling AI to impact many more types of tasks. Our work presents a comprehensive evaluation of VLMs across a spectrum of engineering design tasks, categorized into four main areas: Conceptual Design, System-Level and Detailed Design, Manufacturing and Inspection, and Engineering Education Tasks. Specifically in this paper, we assess the capabilities of two VLMs, GPT-4V and LLaVA 1.6 34B, in design tasks such as sketch similarity analysis, CAD generation, topology optimization, manufacturability assessment, and engineering textbook problems. Through this structured evaluation, we not only explore VLMs' proficiency in handling complex design challenges but also identify their limitations in complex engineering design applications. Our research establishes a foundation for future assessments of vision language models. It also contributes a set of benchmark testing datasets, with more than 1000 queries, for ongoing advancements and applications in this field.

cs.AI

DATED: Guidelines for Creating Synthetic Datasets for Engineering Design Applications

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

cs.LG

Probing the concept of line tension down to the nanoscale

A novel mechanical approach is developed to explore by means of atom-scale simulation the concept of line tension at a solid-liquid-vapor contact line as well as its dependence on temperature, confinement, and solid/fluid interactions. More precisely, by estimating the stresses exerted along and normal to a straight contact line formed within a partially wet pore, the line tension can be estimated while avoiding the pitfalls inherent to the geometrical scaling methodology based on hemispherical drops. The line tension for Lennard-Jones fluids is found to follow a generic behavior with temperature and chemical potential effects that are all included in a simple contact angle parameterization. Former discrepancies between theoretical modeling and molecular simulation are resolved, and the line tension concept is shown to be robust down to molecular confinements. The same qualitative behavior is observed for water but the line tension at the wetting transition diverges or converges towards a finite value depending on the range of the solid/fluid interactions at play.

cond-mat.mes-hall

Wall slip of complex fluids: interfacial friction or slip length?

Using a dynamic Surface Force Apparatus, we demonstrate that the notion of slip length used to describe the boundary flow of simple liquids, is not appropriate for viscoelastic liquids. Rather, the appropriate description lies in the original Navier's partial slip boundary condition, formulated in terms of an interfacial friction coefficient. We establish an exact analytical expression to extract the interfacial friction coefficient from oscillatory drainage forces between a sphere and a plane, suitable for dynamic SFA or Atomic Force Microscopy non-contact measurements. We use this model to investigate the boundary friction of viscoelastic polymer solutions over 5 decades of film thicknesses and one decade in frequency. The proper use of the original Navier's condition describes accurately the complex hydrodynamic force up to scales of tens of micrometers, with a simple "Newtonian-like" friction coefficient, not frequency dependent, and reflecting closely the dynamics of an interfacial depletion layer at the solution/solid interface.

cond-mat.soft

Boundary flow of viscoelastic polyelectrolyte solutions

We report an investigation of the equilibrium and dynamic properties of polyelectrolyte solutions confined between platinum surfaces with a dynamic Surface Force Apparatus. The polyelectrolyte adsorbs on the surfaces in a dense compact layer bearing a surface charge in good agreement with the theoretical predictions. The flow of the solution on this charged adsorbed layer is probed over four decades of spatial scales and one decade of frequency by dynamic measurements. At distances larger than the hundredth of nanometers, the flow of the viscoelastic solution is well described by a partial slip boundary condition. We show that the wall slip is quantitatively described by an interfacial friction coefficient, according to the original Navier's formulation, and not by a slip length. At smaller distance the partial slip model overestimates the solution mobility, and we observe the presence of a low viscosity layer coating the surfaces. The viscosity and thickness of this boundary layer are directly resolved, and found to be independent on shear-rate, frequency, and confinement. We discuss the thickness of the low viscosity layer in terms of the structural length of the semi-dilute solution and the Debye length screening the adsorbed layer charge.

cond-mat.soft

Giant osmotic pressure in the forced wetting of hydrophobic nanopores

The forced intrusion of water in hydrophobic nanoporous pulverulent material is of interest for quick storage of energy. With nanometric pores the energy storage capacity is controlled by interfacial phenomena. With subnanometric pores, we demonstrate that a breakdown occurs with the emergence of molecular exclusion as a leading contribution. This bulk exclusion effect leads to an osmotic contribution to the pressure that can reach levels never previously sustained. We illustrate on various electrolytes and different microporous materials, that a simple osmotic pressure law accounts quantitatively for the enhancement of the intrusion and extrusion pressures governing the forced wetting and spontaneous drying of the nanopores. Using electrolyte solutions, energy storage and power capacities can be widely enhanced.

cond-mat.soft