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Cheng-Hau Yang

Publications and source records attributed to Cheng-Hau Yang.

12 recordsLinked to original sources

Wrong but Useful: Trajectory Value Beyond Answer Correctness in Multi-Agent Messages

Multi-agent reasoning systems often use agreement, confidence, or automated scores to decide which messages should shape a final answer. Such filtering assumes that a message likely to be correct is also worth keeping. Yet a wrong answer can contain a useful decomposition, constraint, or scientific principle. We test this distinction with Diverse Hypothesis Deliberation (DHD), a controlled measurement protocol that caches five independently generated messages and replays the same downstream solver, called the integrator, with each message available or hidden. The replay comparison measures a message's trajectory value: whether making the message available helps or harms subsequent reasoning. Across five mathematics and science benchmarks and two openly available model families, gpt-oss-120b and gemma-4-31B-it, wrong-helpful messages appear in every benchmark-model combination. Among wrong-answer messages that change final correctness, more than four in ten changes are helpful in each model. Controlled repeats show that the number of repeatable message effects is unlikely to arise from replay variation alone (p=0.0002). A focused intervention on repeatable wrong-helpful messages finds that the complete message works best, while retaining its reasoning preserves more success than retaining only its answer; the source of the complete-message advantage remains open. Within the same problem, repeated trajectory-value evidence also identifies a better keep-or-remove choice than answer correctness alone. Answer correctness is therefore informative but does not determine trajectory value. DHD measures this missing property and produces reusable labels for learning when agents should listen.

cs.AI

LLMs Can Predict Failure Risk, But Struggle to Predict Which Collaboration Protocol Pays Off: Cost-Aware Protocol Routing Across Reasoning Tasks

Multi-agent large language model (LLM) systems can improve reasoning by spending more computation, but deployment requires deciding when extra collaboration is worth its cost. We isolate this decision by running every problem under four protocols while holding the solver fixed within each setting: direct solving (Baseline), iterative self-correction (Single), planner-executor-reviewer collaboration (PER), and multi-agent deliberation (Broadcast). The primary benchmark comprises 4,181 competition-level math problems; paired robustness checks cover four benchmarks spanning competition math, biology, and broader science with two solver families. Across fixed policies, trained routers, and frozen LLM routers, conservative policies under-escalate, whereas higher-solve frozen routers often over-escalate. A post-answer, pre-collaboration gpt-oss-120b probe ranks Baseline failures with 0.8847 AUROC (4,151 parseable cases; 95% CI [0.8732, 0.8955]). The same score remains informative for predicting whether any collaboration helps (0.7683 AUPRC), but is much weaker for identifying PER- or Broadcast-specific value (0.1674 and 0.1041 AUPRC). Separately, the pre-answer self-confidence gate reaches 78.0% solve at 45K tokens, compared with 73.8% at 71.3K for a frozen gpt-oss-120b router and 92.4% for a retrospective fixed-order oracle. Across 10 paired model-condition settings, the oracle adds 23.2-58.3 points of retrospective coverage over Baseline, but protocol profiles vary by task. In the six settings with held-out router evaluations, oracle gaps remain 18.5-28.9 points. Confidence can therefore support initial escalation, while protocol-specific cost-aware routing remains unresolved.

cs.AI

Precise but Uncoupled: Reviewer Precision Does Not Guarantee Critique Uptake in Multi-Agent Math Reasoning

Many math- and science-oriented agent systems use hierarchical designs with specialized reviewer roles, assuming that a dedicated review stage should help turn wrong candidates into correct ones. We test this assumption on 4,181 verifier-grounded Omni-MATH problems using matched gpt-oss-120b actors. Collaboration adds little on the easiest tiers, but from tier 4 onward the gains open sharply; in this harder regime, broadcast-style peer discussion reaches higher final accuracy than a planner-executor-reviewer pipeline (PER). We ask whether this gap is explained by reviewer quality or by whether critique changes the next answer the protocol carries forward. It is not explained by reviewer precision alone: PER's reviewer is more precise than broadcast's (0.861 vs. 0.644), yet evaluator-verified useful critique is much less likely to change the next candidate and produces lower reviewer-guided repair. These results show that reviewer detection quality and critique uptake are empirically separable. Within matched PER interventions, forcing explicit acknowledgment lowers final accuracy, while embedding reviewer guidance directly in the solver's working context partially improves follow-through without closing the gap. Overall, reviewer-centric evaluation can overstate system quality: a protocol may spot errors well yet still fail to solve more problems if it does not act on those critiques.

cs.AI

Neural-Network-based Viscosity Closure for Non-Newtonian Multiphase Flows

Materials used in polymer-based additive manufacturing processes, such as Digital Light Processing (DLP) and direct ink writing (DIW), typically exhibit non-Newtonian rheology. Carreau-Yasuda and power-law models describe basic shear-thinning and shear-thickening behavior well, but applying them to a new material requires choosing a functional form, deriving it, and re-implementing it inside the flow solver. We present a deployment workflow in which a neural network trained on experimental rheometry data serves as the viscosity closure inside a Cahn-Hilliard-Navier-Stokes (CHNS) finite element solver. The learned closure is generalized Newtonian: viscosity depends only on the local shear rate at the current instant. Lipschitz regularization during training produces smooth viscosity predictions, and the trained network is exported in the Open Neural Network Exchange (ONNX) format and queried by the solver at runtime via the ONNX runtime, without solver modification or network reimplementation. The framework is built on a parallel octree-based adaptive mesh refinement infrastructure that concentrates resolution at the fluid interface. We validate the CHNS solver against benchmark shear-thinning bubble-rise cases from the literature, reproducing reported bubble shapes across varying power-law indices and Weber numbers. We characterized two silicone ink formulations, recorded their rise dynamics in perfluorodecalin on high-speed video, and used the resulting data to test the full workflow. Simulated rise velocities fall within the experimentally measured spread, and the simulated steady-state droplet shape agrees with the observed one. This work contributes to a growing body of literature on integrating neural constitutive closures into multiphysics simulations, and demonstrates a practical path for deploying experimentally trained rheological surrogates inside finite element solvers.

physics.flu-dyn

A Shifted Cohesive-Zone Method for Non-Interface-Fitted Meshes with Applications to Crystal Plasticity

The accurate simulation of interface-dominated solid mechanics problems on complex microstructures remains challenging, particularly when interface-fitted quadrilateral or hexahedral meshes are difficult to generate. We extend the shifted boundary method (SBM) to cohesive-zone formulations and introduce the Shifted Cohesive Zone Method (SCZM), with applications to crystal plasticity on non-interface-fitted meshes. By shifting the enforcement of traction-separation laws from the true interface to a nearby surrogate interface, SCZM enables the use of standard finite element spaces while avoiding the meshing burden associated with interface-conformal discretizations. We present a simplified SCZM weak form defined on the surrogate interface, leading to a straightforward implementation of the nonlinear residual and consistent tangent matrix. The method is implemented in the open-source MOOSE framework and coupled with constitutive models from NEML2, enabling simulations with linear elasticity, multiple traction-separation laws, and history-dependent crystal plasticity. We further develop a geometry-aware, PCA-enhanced point classification algorithm to accelerate surrogate-domain construction. Verification and benchmark studies in two and three dimensions demonstrate that SCZM achieves first-order convergence for non-interface-fitted interface problems and closely matches interface-fitted reference solutions in terms of reaction forces, surface energy release, deformation, stress fields, and damage evolution. These results indicate that SCZM provides an accurate and efficient framework for modeling interface mechanics in complex microstructures without requiring interface-fitted meshes.

math.NA

Direct Flow Simulations with Implicit Neural Representation of Complex Geometry

Implicit neural representations have emerged as a powerful approach for encoding complex geometries as continuous functions. These implicit models are widely used in computer vision and 3D content creation, but their integration into scientific computing workflows, such as finite element or finite volume simulations, remains limited. One reason is that conventional simulation pipelines require explicit geometric inputs (meshes), forcing INR-based shapes to be converted to meshes--a step that introduces approximation errors, computational overhead, and significant manual effort. Immersed boundary methods partially alleviate this issue by allowing simulations on background grids without body-fitted meshes. However, they still require an explicit boundary description and can suffer from numerical artifacts, such as sliver cut cells. The shifted boundary method (SBM) eliminates the need for explicit geometry by using grid-aligned surrogate boundaries, making it inherently compatible with implicit shape representations. Here, we present a framework that directly couples neural implicit geometries with SBM to perform high-fidelity fluid flow simulations without any intermediate mesh generation. By leveraging neural network inference, our approach computes the surrogate boundary and distance vectors required by SBM on-the-fly directly from the INR, thus completely bypassing traditional geometry processing. We demonstrate this approach on canonical 2D and 3D flow benchmarks (lid-driven cavity flows) and complex geometries (gyroids, the Stanford bunny, and AI-generated shapes), achieving simulation accuracy comparable to conventional mesh-based methods. This work highlights a novel pathway for integrating AI-driven geometric representations into computational physics, establishing INRs as a versatile and scalable tool for simulations and removing a long-standing bottleneck in geometry handling.

cs.GR

MPFBench: A Large Scale Dataset for SciML of Multi-Phase-Flows: Droplet and Bubble Dynamics

Multiphase fluid dynamics, such as falling droplets and rising bubbles, are critical to many industrial applications. However, simulating these phenomena efficiently is challenging due to the complexity of instabilities, wave patterns, and bubble breakup. This paper investigates the potential of scientific machine learning (SciML) to model these dynamics using neural operators and foundation models. We apply sequence-to-sequence techniques on a comprehensive dataset generated from 11,000 simulations, comprising 1 million time snapshots, produced with a well-validated Lattice Boltzmann method (LBM) framework. The results demonstrate the ability of machine learning models to capture transient dynamics and intricate fluid interactions, paving the way for more accurate and computationally efficient SciML-based solvers for multiphase applications.

physics.flu-dyn

A Shifted Boundary Method for Thermal Flows

This paper presents an incomplete Octree mesh implementation of the Shifted Boundary Method (Octree-SBM) for multiphysics simulations of coupled flow and heat transfer. Specifically, a semi-implicit formulation of the thermal Navier-Stokes equations is used to accelerate the simulations while maintaining accuracy. The SBM enables precise enforcement of field and derivative boundary conditions on cut (intercepted) elements, allowing for accurate flux calculations near complex geometries, when using non-boundary fitted meshes. Both Dirichlet and Neumann boundary conditions are implemented within the SBM framework, with results demonstrating that the SBM ensures precise enforcement of Neumann boundary conditions on Octree-based meshes. We illustrate this approach by simulating flows across different regimes, spanning several orders of magnitude in both the Rayleigh number ($Ra \sim 10^3$--$10^9$) and the Reynolds number ($Re \sim 10^0$--$10^4$), and covering the laminar, transitional, and turbulent flow regimes. Coupled thermal-flow phenomena and their statistics across all these regimes are accurately captured without any additional numerical treatments, beyond a Residual-based Variational Multiscale formulation (RB-VMS). This approach offers a reliable and efficient solution for complex geometries, boundary conditions and flow regimes in computational multiphysics simulations.

physics.flu-dyn

Simulating incompressible flows over complex geometries using the shifted boundary method with incomplete adaptive octree meshes

We extend the shifted boundary method (SBM) to the simulation of incompressible fluid flow using immersed octree meshes. Previous work on SBM for fluid flow primarily utilized two- or three-dimensional unstructured tetrahedral grids. Recently, octree grids have become an essential component of immersed CFD solvers, and this work addresses this gap and the associated computational challenges. We leverage an optimal (approximate) surrogate boundary constructed efficiently on incomplete and adaptive octree meshes. The resulting framework enables the simulation of the incompressible Navier-Stokes equations in complex geometries without requiring boundary-fitted grids. Simulations of benchmark tests in two and three dimensions demonstrate that the Octree-SBM framework is a robust, accurate, and efficient approach to simulating fluid dynamics problems with complex geometries.

physics.flu-dyn

FlowBench: A Large Scale Benchmark for Flow Simulation over Complex Geometries

Simulating fluid flow around arbitrary shapes is key to solving various engineering problems. However, simulating flow physics across complex geometries remains numerically challenging and computationally resource-intensive, particularly when using conventional PDE solvers. Machine learning methods offer attractive opportunities to create fast and adaptable PDE solvers. However, benchmark datasets to measure the performance of such methods are scarce, especially for flow physics across complex geometries. We introduce FlowBench, a dataset for neural simulators with over 10K samples, which is currently larger than any publicly available flow physics dataset. FlowBench contains flow simulation data across complex geometries (\textit{parametric vs. non-parametric}), spanning a range of flow conditions (\textit{Reynolds number and Grashoff number}), capturing a diverse array of flow phenomena (\textit{steady vs. transient; forced vs. free convection}), and for both 2D and 3D. FlowBench contains over 10K data samples, with each sample the outcome of a fully resolved, direct numerical simulation using a well-validated simulator framework designed for modeling transport phenomena in complex geometries. For each sample, we include velocity, pressure, and temperature field data at 3 different resolutions and several summary statistics features of engineering relevance (such as coefficients of lift and drag, and Nusselt numbers). %Additionally, we include masks and signed distance fields for each shape. We envision that FlowBench will enable evaluating the interplay between complex geometry, coupled flow phenomena, and data sufficiency on the performance of current, and future, neural PDE solvers. We enumerate several evaluation metrics to help rank order the performance of neural PDE solvers. We benchmark the performance of several baseline methods including FNO, CNO, WNO, and DeepONet.

physics.flu-dyn

Optimal Surrogate Boundary Selection and Scalability Studies for the Shifted Boundary Method on Octree Meshes

The accurate and efficient simulation of Partial Differential Equations (PDEs) in and around arbitrarily defined geometries is critical for many application domains. Immersed boundary methods (IBMs) alleviate the usually laborious and time-consuming process of creating body-fitted meshes around complex geometry models (described by CAD or other representations, e.g., STL, point clouds), especially when high levels of mesh adaptivity are required. In this work, we advance the field of IBM in the context of the recently developed Shifted Boundary Method (SBM). In the SBM, the location where boundary conditions are enforced is shifted from the actual boundary of the immersed object to a nearby surrogate boundary, and boundary conditions are corrected utilizing Taylor expansions. This approach allows choosing surrogate boundaries that conform to a Cartesian mesh without losing accuracy or stability. Our contributions in this work are as follows: (a) we show that the SBM numerical error can be greatly reduced by an optimal choice of the surrogate boundary, (b) we mathematically prove the optimal convergence of the SBM for this optimal choice of the surrogate boundary, (c) we deploy the SBM on massively parallel octree meshes, including algorithmic advances to handle incomplete octrees, and (d) we showcase the applicability of these approaches with a wide variety of simulations involving complex shapes, sharp corners, and different topologies. Specific emphasis is given to Poisson's equation and the linear elasticity equations.

math.NA

Generating Finite Element Codes combining Adaptive Octrees with Complex Geometries

We present a high-level domain-specific language (DSL) interface to drive an adaptive incomplete $k$-d tree-based framework for finite element (FEM) solutions to PDEs. This DSL provides three key advances: (a) it abstracts out the complexity of implementing non-trivial FEM formulations, (b) it simplifies deploying these formulations on arbitrarily complicated and adaptively refined meshes, and (c) it exhibits good parallel performance. Taken together, the DSL interface allows end-users to rapidly and efficiently prototype new mathematical approaches, and deploy them on large clusters for solving practical problems. We illustrate this DSL by implementing a workflow for solving PDEs using the recently developed shifted boundary method (SBM). The SBM requires approximating relatively complicated integrals over boundary surfaces. Using a high-level DSL greatly simplifies this process and allows rapid exploration of variations. We demonstrate these tools on a variety of 2-D and 3-D configurations. With fewer than 20 lines of input, we can produce a parallel code that scales well to thousands of processes. This generated code is made accessible and readable to be easily modified and hand-tuned, making this tool useful even to experts with the target software.

cs.CE