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Mark Fuge

Mark Fuge contributes to research discovery and scholarly infrastructure.

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Published work

8 published item(s)

preprint2026arXiv

Beyond Inference-Time Search: Reinforcement Learning Synthesizes Reusable Solvers

Large language models (LLMs) typically approach combinatorial optimization as an inference-time procedure, solving each instance separately through sampling, search, or repeated prompting. We ask whether reinforcement learning can instead shift part of this reasoning cost into the weights of a code LLM, so that the model synthesizes a reusable solver for an entire problem family. We study this question on Synergistic Dependency Selection (SDS), a controlled variant of constrained Quadratic Knapsack designed to expose a specific failure mode: local signals and strict feasibility constraints make greedy heuristics attractive but unreliable. Under identical scaffolding, Best-of-64 base-model sampling saturates at an approximately 28.7% gap to the global Virtual Best Solver (VBS); code audits show that the base model often retrieves Simulated Annealing templates but misimplements the Metropolis acceptance rule. We fine-tune Qwen2.5-Coder-14B-Instruct with Group Relative Policy Optimization (GRPO) using a feasibility-gated reward and light structural scaffolding. The resulting policy converges to a constraint-aware Simulated Annealing template in 99.8% of feasible SDS outputs, achieves a 5.0% gap to that VBS, and is 91 times cheaper in post-generation execution/search cost than cumulative Best-of-64 evaluation. A compile-once check shows that one best frozen solver per seed remains highly competitive when reused unchanged across the SDS test set, while an additional-domain evaluation on Job Shop Scheduling provides narrower but positive evidence that the scaffold transfers beyond SDS. Negative ablations reveal the limits of this recipe: standard stabilizers degrade performance, a soft feasibility gate fails, and results remain sensitive to reward normalization and domain-specific design choices.

preprint2026arXiv

EngiAI: A Multi-Agent Framework and Benchmark Suite for LLM-Driven Engineering Design

Large Language Model (LLM) agents are increasingly applied to engineering design tasks, yet existing evaluation frameworks do not adequately address multi-agent systems that combine simulation, retrieval, and manufacturing preparation. We introduce a benchmark suite with three evaluation dimensions: (1) a workflow benchmark with seven prompt styles targeting distinct cognitive demands-including direct tool use, semantic disambiguation, conditional branching, and working-memory tasks; (2) a Retrieval-Augmented Generation (RAG) benchmark with gated scoring isolating retrieval contributions to parameter selection; and (3) an High Performance Computing (HPC) benchmark evaluating end-to-end ML training orchestration on a SLURM cluster. Alongside the benchmark we present EngiAI, a Multi-Agent System (MAS) reference implementation built on LangGraph that operationalizes the benchmark by coordinating seven specialized agents through a supervisor architecture, unifying topology optimization, document retrieval, HPC job orchestration, and 3D printer control. Across four LLM backends and two EngiBench problems, proprietary models achieve 96-97% average task completion on Beams2D, while open-source 4B-parameter models reach 55-78%, with clear generational improvement. Conditional branching proves most challenging, with task completion dropping to 20-53% for the conditional style on Photonics2D. RAG gating confirms near-perfect retrieval-augmented scores ($\approx 1.0$) versus near-zero without retrieval, validating the evaluation design. On HPC orchestration, one model completes all pipeline steps in 100% of runs while another drops to 50%, revealing that multi-step instruction following degrades over long-running workflows.

preprint2022arXiv

IH-GAN: A Conditional Generative Model for Implicit Surface-Based Inverse Design of Cellular Structures

Variable-density cellular structures can overcome connectivity and manufacturability issues of topologically optimized structures, particularly those represented as discrete density maps. However, the optimization of such cellular structures is challenging due to the multiscale design problem. Past work addressing this problem generally either only optimizes the volume fraction of single-type unit cells but ignores the effects of unit cell geometry on properties, or considers the geometry-property relation but builds this relation via heuristics. In contrast, we propose a simple yet more principled way to accurately model the property to geometry mapping using a conditional deep generative model, named Inverse Homogenization Generative Adversarial Network (IH-GAN). It learns the conditional distribution of unit cell geometries given properties and can realize the one-to-many mapping from properties to geometries. We further reduce the complexity of IH-GAN by using the implicit function parameterization to represent unit cell geometries. Results show that our method can 1) generate various unit cells that satisfy given material properties with high accuracy ($R^2$-scores between target properties and properties of generated unit cells $>98\%$) and 2) improve the optimized structural performance over the conventional variable-density single-type structure. In the minimum compliance example, our IH-GAN generated structure achieves a $79.7\%$ reduction in concentrated stress and an extra $3.03\%$ reduction in displacement. In the target deformation examples, our IH-GAN generated structure reduces the target matching error by $86.4\%$ and $79.6\%$ for two test cases, respectively. We also demonstrated that the connectivity issue for multi-type unit cells can be solved by transition layer blending.

preprint2021arXiv

BézierGAN: Automatic Generation of Smooth Curves from Interpretable Low-Dimensional Parameters

Many real-world objects are designed by smooth curves, especially in the domain of aerospace and ship, where aerodynamic shapes (e.g., airfoils) and hydrodynamic shapes (e.g., hulls) are designed. To facilitate the design process of those objects, we propose a deep learning based generative model that can synthesize smooth curves. The model maps a low-dimensional latent representation to a sequence of discrete points sampled from a rational Bézier curve. We demonstrate the performance of our method in completing both synthetic and real-world generative tasks. Results show that our method can generate diverse and realistic curves, while preserving consistent shape variation in the latent space, which is favorable for latent space design optimization or design space exploration.

preprint2020arXiv

Adaptive Expansion Bayesian Optimization for Unbounded Global Optimization

Bayesian optimization is normally performed within fixed variable bounds. In cases like hyperparameter tuning for machine learning algorithms, setting the variable bounds is not trivial. It is hard to guarantee that any fixed bounds will include the true global optimum. We propose a Bayesian optimization approach that only needs to specify an initial search space that does not necessarily include the global optimum, and expands the search space when necessary. However, over-exploration may occur during the search space expansion. Our method can adaptively balance exploration and exploitation in an expanding space. Results on a range of synthetic test functions and an MLP hyperparameter optimization task show that the proposed method out-performs or at least as good as the current state-of-the-art methods.

preprint2020arXiv

Airfoil Design Parameterization and Optimization using Bézier Generative Adversarial Networks

Global optimization of aerodynamic shapes usually requires a large number of expensive computational fluid dynamics simulations because of the high dimensionality of the design space. One approach to combat this problem is to reduce the design space dimension by obtaining a new representation. This requires a parametric function that compactly and sufficiently describes useful variation in shapes. We propose a deep generative model, Bézier-GAN, to parameterize aerodynamic designs by learning from shape variations in an existing database. The resulted new parameterization can accelerate design optimization convergence by improving the representation compactness while maintaining sufficient representation capacity. We use the airfoil design as an example to demonstrate the idea and analyze Bézier-GAN's representation capacity and compactness. Results show that Bézier-GAN both (1) learns smooth and realistic shape representations for a wide range of airfoils and (2) empirically accelerates optimization convergence by at least two times compared to state-of-the-art parameterization methods.

preprint2020arXiv

An Algorithm for Multi-Attribute Diverse Matching

Bipartite b-matching, where agents on one side of a market are matched to one or more agents or items on the other, is a classical model that is used in myriad application areas such as healthcare, advertising, education, and general resource allocation. Traditionally, the primary goal of such models is to maximize a linear function of the constituent matches (e.g., linear social welfare maximization) subject to some constraints. Recent work has studied a new goal of balancing whole-match diversity and economic efficiency, where the objective is instead a monotone submodular function over the matching. Basic versions of this problem are solvable in polynomial time. In this work, we prove that the problem of simultaneously maximizing diversity along several features (e.g., country of citizenship, gender, skills) is NP-hard. To address this problem, we develop the first combinatorial algorithm that constructs provably-optimal diverse b-matchings in pseudo-polynomial time. We also provide a Mixed-Integer Quadratic formulation for the same problem and show that our method guarantees optimal solutions and takes less computation time for a reviewer assignment application.

preprint2020arXiv

Forming Diverse Teams from Sequentially Arriving People

Collaborative work often benefits from having teams or organizations with heterogeneous members. In this paper, we present a method to form such diverse teams from people arriving sequentially over time. We define a monotone submodular objective function that combines the diversity and quality of a team and propose an algorithm to maximize the objective while satisfying multiple constraints. This allows us to balance both how diverse the team is and how well it can perform the task at hand. Using crowd experiments, we show that, in practice, the algorithm leads to large gains in team diversity. Using simulations, we show how to quantify the additional cost of forming diverse teams and how to address the problem of simultaneously maximizing diversity for several attributes (e.g., country of origin, gender). Our method has applications in collaborative work ranging from team formation, the assignment of workers to teams in crowdsourcing, and reviewer allocation to journal papers arriving sequentially. Our code is publicly accessible for further research.