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新论文 · v1arXiv:2611.17258

JOINTS:可重复使用混凝土构件可拆卸干连接分类与解析评估

JOINTS: Classification and analytical evaluation of detachable dry connections for reusable concrete elements

Julius Fründt, Vladislav Gudžulić, Günther Meschke, Roger A. Sauer

AI 速读 基于摘要

提出可拆卸干连接的五维分类体系JOINTS并加入评分维度,对三种后张预应力下的代表性节点构型进行解析评估。

cs.CE

查看原文摘要

This paper presents a systematic classification for detachable dry joints suitable for the structural reuse of reinforced concrete elements, together with an analytical evaluation of representative configurations. The classification, named JOINTS and applicable to concrete connections beyond the reuse context, organizes the design space along five categories whose initials spell JOINT: the Juxtaposition (spatial arrangement of the paired elements), the Origin (their prior structural function), the Interface geometry, the Newly introduced materials at the joint, and the force-Transfer mechanism. A sixth category, the Score, completes the acronym and evaluates each configuration for sustainability, cost-efficiency, and mechanical performance. From this design space, three representative configurations are evaluated analytically under active post-tensioning, differing in both their joint geometry (planar, stepped, and angled) and their tendon inclination. The evaluation covers failure of the anchorage of the post-tensioning member, the contact limit of the interface, and the material limit of the concrete adjacent to the interface. Although complex joint geometries theoretically enhance interlocking, their benefit is limited by the compressive-shear strength of the concrete. The reinforcement of the reused elements may be damaged near the cut, and the splitting reinforcement that a conventional design would require is not guaranteed to exist. The present analysis therefore conservatively assumes that the concrete at the joint face alone resists the combined compression and shear, neglecting any residual contribution from the existing reinforcement. This analytical evaluation represents a first step toward quantifying the score over a parametric range of connections, here focusing on the mechanical criterion.

新论文 · v1arXiv:2611.17226

面向协同过滤的LightGCN层论启发式结构化评分扩展

Sheaf-Inspired Structured Scoring Extensions of LightGCN for Collaborative Filtering

Ksenia Belkovskaya, Timur Lidzhiev, Maria Stebliy, Alexander Tarakanov

AI 速读 基于摘要

在固定三层LightGCN骨干上比较多种成对结构化评分器,考察其对排序质量与目录覆盖度的影响。

cs.IR · cs.CE · cs.CG · cs.LG

查看原文摘要

Graph-based collaborative filtering learns user and item representations by propagating embeddings over a user--item interaction graph. We investigate a modular, sheaf-inspired scoring extension placed on top of a three-layer LightGCN backbone. The motivation comes from cellular sheaves, where local vector spaces are related by linear restriction maps; here, this idea motivates structured, pair-dependent transformations of user and item embeddings rather than a change to graph propagation. We compare the identity inner-product scorer, diagonal, rank-one low-rank, and full matrix residual scorers, and a parameter-matched residual MLP baseline (\texttt{mlp\_full}) on Amazon-Book, Gowalla, MovieLens-1M, and Yelp2018. We report ranking quality and catalog coverage at cutoffs 10 and 20. The selected structured variants show modest, dataset-dependent changes in ranking quality and sometimes substantial changes in coverage. Our method is inspired by sheaf geometry but does not construct a cellular sheaf or implement sheaf-Laplacian diffusion; the experiments therefore do not establish a causal benefit from sheaf geometry itself.

新论文 · v1arXiv:2611.17156

面向颗粒流动力学高效粒子分辨预测的分层图神经网络

A hierarchical graph neural network for efficient particle-resolved prediction of granular flow dynamics

Kuang Shi, Qingqi Zhao, Teng Man, Sergio Andres Galindo-Torres, Yimin Lu

AI 速读 基于摘要

作者提出分层粗粒化图神经网络HCG-GNN,在粗图与粒子图上联合传递信息,以较低计算成本实现颗粒流动力学的粒子级预测。

cs.CE

查看原文摘要

Graph neural surrogates for granular flow can resolve the motion of individual grains, but propagating information across a large amount of grains requires repeated, costly updates on the full particle graph. This study introduce a Hierarchical Coarse-Grained Graph Neural Network (HCG-GNN) that couples direct interactions between neighboring grains with information exchange on two coarser graphs of occupied spatial cells. In discrete element method (DEM) benchmarks of granular flows down incline planes, HCG-GNN captured key flow characteristics, including front propagation, lateral spreading, deposition morphology, free surface evolution, internal shear behavior, and energy conversion. Results also show that preserving grain-specific features as coarse information returned to the particle graph and integrating predicted accelerations to advance particle motion both improved multi-step accuracy. With 5 of its 7 message-passing steps performed on coarse graphs, HCG-GNN achieved accuracy comparable to a conventional particle-level GNN with a 6.47-fold training speedup and 46.2% lower GPU memory use. A model trained on up to 5000 grains predicted a 2 s release of 10000 grains in 31 s, compared with 2000 s for DEM under the benchmark conditions. This combination of speed and grain-scale resolution supports particle-resolved inverse design, with prescribed runout or discharge targets guiding the search for suitable geometries and grain dynamics revealing the basis for differences in performance.

新论文 · v1arXiv:2611.17152

AeroZoo:面向空气动力学基础模型的良定流动问题基准

AeroZoo: A Benchmark of Well-Posed Flow Problems for Foundation Models of Aerodynamics

Peter Sharpe, Carmelo Gonzales, Corey Adams, Mehdi Ataei, Sanjay Choudhry

AI 速读 基于摘要

作者提出 AeroZoo 基准与训练语料,用 3,815 个 RANS 时均解覆盖多几何族、多外罩配置与宽雷诺数范围,并设计按几何族、外罩、边界条件布局和雷诺数范围留出的冻结划分,以检验空气动力学基础模型的跨分布泛化能力。

cs.LG · cs.CE · physics.flu-dyn

查看原文摘要

Neural surrogates for computational fluid dynamics (CFD) are trained and ranked on datasets that each vary one design family in one flow domain. Such datasets cannot test the least that an aerodynamic foundation model must do: predict CFD-quality incompressible flow in seconds for new shapes in new enclosures. On DrivAerML, larger models and longer training barely lower Transolver's error; doubling the training cases cuts it by about 12% up to 400 cases, exhausting the dataset. We introduce AeroZoo, a benchmark and training corpus of 3,815 time-mean solutions to the unsteady Reynolds-averaged Navier--Stokes (RANS) equations with a transition model, across seven geometry families, eight enclosure configurations and Reynolds numbers from $10^3$ to $10^8$. Each sample poses a well-posed PDE problem in the form a solver receives it: the boundary meshes grouped by condition type, the prescribed values and the fluid properties. The 2,816 samples with a stable time mean form the canonical benchmark: two tasks, engineering metrics and 22 frozen splits, disjoint in geometry, that hold out geometry families, enclosures, boundary-condition layouts and Reynolds ranges. On the random split, boundary-condition tokens cut GeoTransolver's median velocity error from 76.9% to 8.4% of the inlet speed in single-seed runs (uniform inlet flow: 11.0%). ISLA, a transformer for boundary-driven PDEs, reaches 5.3% over four seeds, about 4 times the change from a finer mesh. On the same test samples, a held-out geometry family barely changes ISLA's error relative to uniform flow, and a held-out enclosure or boundary-condition layout raises it 2.4 to 9.2 times. The data and the scoring code will be released.

新论文 · v1arXiv:2611.17141

ISLA:面向边界驱动 PDE 的无坐标、测度加权 Transformer

ISLA: A Coordinate-Free, Measure-Weighted Transformer for Boundary-Driven PDEs

Peter Sharpe

AI 速读 基于摘要

提出一种切片注意力 Transformer,通过去除坐标输入、以边界测度做求积,使代理模型对刚体运动、反射、单位与网格细化具备不变性,并在气动基准上降低误差。

cs.LG · cs.CE · math-ph · physics.flu-dyn

查看原文摘要

A foundational principle of physics is that all coordinate systems are equally valid: the behavior of a PDE-governed system does not depend on the origin or orientation of the frame, nor on the units or mesh used to write it down, and neither should a surrogate model. Yet the neural surrogates with the lowest errors on today's aerodynamics benchmarks lack these invariances and fail under simple transformations of the same problem: for models trained on PDEs of cars in one pose (i.e., translation and rotation) and from one mesher, rotating the full PDE raises the surface-pressure error from 4% to more than 100%, and re-sampling its boundary raises it to about 30%. We introduce ISLA (Invariant Slice Attention), a slice-attention transformer for steady, boundary-driven PDEs in which no learned operation receives a coordinate and every sum over the boundary is a quadrature. Positions enter only as distances and relative angles to learned slice anchors, lengths are measured in a unit computed from the boundary, and interior points query the boundary through a tree-accelerated learned kernel without influencing one another. With every boundary cell a token and an exact boundary read, ISLA is equivariant to rigid motions and reflections, invariant to the units of its declared data, and consistent under mesh refinement, while at every setting each query is independent of all other queries. On AeroZoo, 2,816 flows that vary in shape, size, speed, and boundary conditions, its mean reference-scaled velocity and pressure errors are at least 3.1 and 3.3 times lower than any baseline's. On AirfRANS its errors are second only to those of a boundary-integral model (GLOBE) and at least 1.6 times lower than those of Transolver and GeoTransolver.

新论文 · v1arXiv:2611.16874

Stochastic Kernel Mode Decomposition: Information, Uncertainty, and Conditional Regime Inference

Boumediene Hamzi, Houman Owhadi

原文摘要

When do mode energies preserve regime information as measurement quality changes? Stochastic Kernel Mode Decomposition (sKMD) fits joint regime laws on signed KMD mode coordinates and transfers the reference mode posterior to regime probabilities and conditional reconstructions. For centered Gaussian regimes with independently varying known noise variances, fixed coordinate energies retain the full regime posterior precisely when all classes share their cross-covariances and class variances can differ only at isolated vertices of the covariance graph. We extend the characterization to nonzero means and show that freely varying correlated noise forces a fixed linear log-odds decoder to retain the full quadratic feature span even for two distinct centered regimes. At fixed quality, a three-regime example has no sufficient two-energy basis. Its smallest Bayes log-loss gap over bases of condition number at most $κ$ has sharp order $κ^{-1}$. Exact Bayes energy posteriors supply numerical gap estimates for specified bases. Additional bounds relate feature compression, independently learned mode spans and sensor-noise error to log loss. Two controlled experiments with 64 independent panels each show that signed information can improve prediction over energy summaries, while integration gives small gains over strong signed controls and depends on how the competing point rule is calibrated and how accurately observation noise is measured.

stat.ML · cs.CE · cs.LG · math.DS · nlin.PS

版本更新 · v2arXiv:2610.31996

Multi-Material Topology Optimization for Targeted Structural Dynamic Vibration Attenuation

Bir Bahadur Chaudhary, Bidhan Pandey, Bin Ouyang, Shiguang Deng

原文摘要

Resonance-induced structural vibrations can compromise the performance, reliability, and service life of engineering structures. Multi-material topology optimization (MMTO) offers a promising approach to vibration attenuation by tailoring the spatial distributions of material constituents to optimize structural stiffness, mass, and natural frequencies. However, existing eigenfrequency-based MMTO methods face several challenges, including the need for flexible interpolation of multiple material properties, non-smooth optimization objectives associated with mode switching and repeated eigenvalues, and numerical difficulties in imposing differentiable constraints to exclude natural frequencies from prescribed operating frequency ranges. To address these challenges, we propose a novel MMTO framework for structural vibration attenuation based on several innovations: (1) a novel multivariate weight-based multi-material interpolation scheme to simultaneously represent material stiffness and mass density, (2) a bound-based optimization formulation to improve the smoothness and stability of gradient-based optimization by addressing mode switching, and (3) a smooth frequency-band formulation to smoothly approximate the discontinuous Heaviside function while enabling differentiable frequency-band constraints. Additionally, we systematically investigate and compare three different topology optimization formulations for dynamic vibration attenuation, including maximizing the fundamental eigenfrequency, maximizing the gap between adjacent eigenfrequencies, and excluding natural frequencies from prescribed frequency bands. Furthermore, we present the detailed derivation of analytical design sensitivities for the three formulations.

cs.CE

新论文 · v1arXiv:2611.16798

Transverse impact of a Hertzian sphere with an infinite Rayleigh beam

Saranya Biswas, Anindya Chatterjee

原文摘要

We study the impact of a Hertzian sphere on an infinite Rayleigh beam, which presents both interesting possibilities for numerical approximation as well as new insights in the multiple-contact-event regime. Here, Galerkin projection using an abstract continuous variable replaces the history-dependent convolution in the impact equations by a system of local-in-time ordinary differential equations. The corresponding approximate solutions are validated against direct numerical solution of the convolution-based formulation and show agreement. Unlike the corresponding Euler-Bernoulli beam impact problem, which is governed by a single nondimensional parameter, the Rayleigh beam impact dynamics is governed by two nondimensional parameters. A parametric study reveals three distinct impact regimes: one regime with a single contact followed by permanent separation, a second regime with a single contact that is sustained thereafter, and an intervening regime with initial separation followed by multiple contact events with diminishing amplitudes, leading eventually to sustained contact. Short- and long-time asymptotic analyses are used to characterize the boundaries between the permanent separation and the re-contact regimes in different parameter regimes. The three significant new aspects of this paper are the system itself (Rayleigh beam instead of Euler Bernoulli beam), the model order reduction achieved through Galerkin projection in an abstract domain, and the detailed parametric study leading to a simple qualitative picture of possible behaviours.

cs.CE

版本更新 · v2arXiv:2610.11522

A joint error metric for scoring CFD against wind tunnel data, scaled by the robust spread of the participants (AutoCFD5 Case 2)

Hendrik Hetmann, Charles Mockett

原文摘要

Case 2 of the 5th Automotive CFD Prediction Workshop (AutoCFD5) compares the participants' CFD results with wind tunnel measurements of surface pressure, velocity profiles and force coefficients. To place each run on a diagram of error against computational cost, these quantities must be combined into one number. This note defines that number, the joint error. Following the practice of interlaboratory proficiency testing (ISO 13528), every deviation from the experiment is expressed in units of the spread of the participants' results at that point, estimated robustly with the standard's Algorithm A. The point-wise spreads are pooled into one scale per component, so that every measurement point carries equal weight within its component. Configurations 2a and 2b share these scales and are compared only on the measurements both have, so that their errors can be shown on one diagram. The joint error is a fixed weighted sum of five component errors. The scales are computed once from all AutoCFD5 submissions received by 28 October 2026 and then frozen, so that scores are reproducible and comparable across workshops.

cs.CE

新论文 · v1arXiv:2611.16357

Optimal Seat Movement Strategies Among Modular Bus Units

Shiyue Wang, Yuhao Liu, Zhibin Chen, Mingyang Pei, Changhong Lu

原文摘要

Movable seats enable passengers to transfer between coupled modular bus units while remaining seated, but require physical reconfiguration that existing modular transit models largely abstract away. We model seat reconfiguration as a colored generalized sliding-tile puzzle on the physical track graph, capturing simultaneous movements, seat indistinguishability within destination groups, and vertex, edge, and corner-following conflicts. A lexicographic objective minimizes makespan first and then the sum of costs (SoC), which penalizes movements and waiting at non-target positions. We develop an exact time-expanded mixed-integer linear programming formulation and a Boundary-Sequence Dynamic Programming (BSDP) algorithm. BSDP decomposes the problem at single-edge module interfaces and coordinates local schedules through compressed boundary-crossing sequences, provably preserving feasibility and optimal costs. On two- and three-module benchmarks, BSDP achieves mean per-instance speedups of 3.24x and 6.30x over Gurobi, respectively. In fixed-horizon tests with four to seven modules, both methods start from identical greedy schedules and receive a 300 s budget. BSDP obtains lower final SoC than Gurobi on 197 of 200 instances and ties on three, reducing mean final SoC by 17.93%-69.07% across the four size classes. Geometry sensitivity and ablation studies further clarify the contribution of boundary compression to computational performance. The framework links seat reconfiguration to the timing and operational cost of modular bus decoupling.

cs.CE · math.OC

新论文 · v1arXiv:2611.16197

Mechanical behaviour of the intact brain-skull interface under tension, compression and shear

Sajjad Arzemanzadeh, Karol Miller, Ron Kikinis, Adam Wittek

原文摘要

The brain-skull interface governs the boundary/contact conditions of the brain in computational head models, yet its mechanical behaviour remains poorly characterised experimentally. We characterised the brain-skull interface by testing brain-skull complex samples (skull bone, meninges and brain tissue in their native arrangement) excised from 19 sheep cadaver heads under uniaxial tension and compression at strain rates of 0.002, 0.02 and 0.2 s$^{-1}$ and simple shear at 0.02 s$^{-1}$. Histology confirmed that the meningeal layers remained intact and attached to the brain and skull after excision. We acquired magnetic resonance images of every sample, reconstructed their geometry and developed a sample-specific finite element model of each experiment. We represented the brain tissue using a second-order Ogden hyperelastic model and the brain-skull interface using a cohesive zone model. Using inverse finite element analysis, we first calibrated the brain tissue parameters for each subject. Keeping these parameters fixed, we then identified the interface parameters from the corresponding brain-skull complex specimen. The brain tissue shear modulus increased with strain rate from 0.94 $\pm$ 0.16 kPa at 0.002 s$^{-1}$ to 1.60 $\pm$ 0.30 kPa at 0.2 s$^{-1}$. In contrast, the interface properties (maximum normal traction 2.35 $\pm$ 0.81 kPa, maximum tangential traction 4.14 $\pm$ 0.97 kPa, and fracture energy 0.35 $\pm$ 0.14 N m$^{-1}$) showed no significant dependence on strain rate or loading mode. In all samples, failure occurred within the subarachnoid space. Neither a rigid brain-skull connection nor frictionless sliding contact with separation reproduced the measured mechanical response or failure mode of the brain-skull interface. Our experimentally derived cohesive zone model provides a realistic representation of the brain-skull interface for computational head models.

cs.CE

版本更新 · v2arXiv:2606.31248

Scaling Storm-Resolving Atmospheric AI Simulation to the Entire Planet

Zeyuan Hu, Akshay Subramaniam, Noel Keen, Tao Ge, Jaideep Pathak, Mohammad Shoaib Abbas, Suman Ravuri, Karthik Kashinath 等 12 位作者

原文摘要

Kilometer-scale convection shapes precipitation extremes, tropical organization, and cloud feedbacks, but most global atmospheric models approximate these processes at 25-100 km resolution. Global storm-resolving physics models resolve convective systems explicitly, but at a cost (roughly one MWh per simulated day on exascale supercomputers) that limits long-duration simulation. We introduce STRATA (Storm-resolving Tile-based autoRegressive Atmosphere Transformer Architecture), the first autoregressive AI emulator for global storm-resolving atmospheric dynamics. STRATA is trained on the highest-resolution atmospheric dataset yet used for global AI emulation: 17 days of SCREAM physics-model output at 4.9-km resolution (~25 million grid cells) sampled every 10 minutes. Our central premise is that on 10-minute timescales atmospheric dynamics are predominantly local, so training on small spatial tiles trades scarce global temporal samples for abundant local spatial samples and enables global rollout via overlapping-tile blending. STRATA combines 3D patch embedding and local 3D neighborhood attention, a novel Stereographic Rotary Position Embedding (StereoRoPE) for grid-invariant encoding, and a pixel-space de-aliasing decoder that suppresses patch-scale rollout artifacts. An iso-FLOP scaling study reveals that km-scale emulation requires ~10x more FLOPs per grid point than coarse-resolution AI weather models, consistent with the higher information density of convective-scale dynamics. Trained on only 17 days of data, STRATA produces stable 24-hour global rollouts with realistic km-scale dynamics across diverse regimes, though large-scale biases develop with lead time. It achieves 48 simulated days per megawatt-hour (more than 50 times better energy efficiency than the SCREAM physics model) and 741 simulated days per wall-clock day at 512 H100 GPUs.

physics.ao-ph · cs.CE · cs.LG

新论文 · v1arXiv:2611.15950

Modeling the Travel Time-Pollution Exposure Trade-off in Urban Route Choice

Cafer Avci, Zhaoyao Bao, Maximilian Dittgen, Danni Lu, Alireza Yazdiani, Mohammad Tayarani, H. Oliver Gao

原文摘要

Traffic-related air pollution is a major contributor to respiratory and cardiovascular disease, and travel time disproportionately drives daily exposure. Conventional routing algorithms minimize time or distance, ignoring street-level pollutant variability and leaving travelers exposed to avoidable risk. We develop a bi-objective routing framework that couples a high-resolution AERMOD-based PM2.5 dispersion surface with a shortest-path algorithm. The algorithm uses a deterministic, gradient-based weight-update scheme to enumerate Pareto-optimal paths along the time-exposure frontier. We apply the framework to 790,000 origin-destination pairs on New York City's road network, covering 1.48 million daily commuters. Link-level concentrations differed by a factor of two or more between adjacent parallel streets. Exposure-aware routes reduced cumulative exposure by about 38% at a median travel time increase of about 28%. The algorithm ran in 30 milliseconds per query and recovered more frontier paths than uniform weight sampling (4.5 vs. 2.4). These results show that exposure-aware routing is computationally practical at metropolitan scale and suitable for real-time navigation and infrastructure planning.

cs.CE · cs.CY

新论文 · v1arXiv:2611.15924

The Distributed Run Manager A C++ Library for Distributed Processing

Brian Harrawood

原文摘要

The DistributedRunManager (DRM) is a C++ library for distributing a computing task among a number of computer systems for parallel processing on a network. The library was originally designed to accelerate synthetic image production for tomographic images, but is also a general solution for distributing a software task across diverse, multiple hardware platforms. The DRM self-configures using a novel C++ class, the ElectionManager. This class selects a server cooperatively at runtime and eliminates the need for a priori distribution configuration. All communication, logging, and fault-tolerance mechanisms are encapsulated by the DRM, providing a "black-box" interface to the application developer.

cs.CE

新论文 · v1arXiv:2611.15814

Large Payments Model

Natraj Raman, Abhenandhan Manoharan, Vishwasreddy Thuniki, Dhvani Kansara, Anirudh Som, Hassan Firouzi, Kostis Gourgoulias, Laukik Hoshing 等 15 位作者

原文摘要

Payment applications such as fraud detection, authorization prediction, and payment optimization draw on overlapping transaction information. This motivates a reusable payments intelligence layer that shares learned representations and predictive signals, rather than developing predictive models independently for each task. Realizing this shared capability requires handling heterogeneous transaction fields, high-cardinality identifiers, lifecycle-dependent attributes, long histories, and rare outcomes while meeting latency and cost constraints. We present Large Payments Model (LPM), a domain-specific foundation model designed for operational use and trained from scratch on large-scale structured transaction data to learn reusable representations for payment prediction tasks. LPM employs field-specific encodings and lifecycle-aware self-supervision in two complementary architectures: the Independent variant uses hybrid masking and supports efficient per-transaction inference, while the Sequence variant incorporates entity-linked histories through compact latent representations for richer temporal context. Optional distillation enables resource-constrained deployment. We pretrain LPM on up to 400 billion tokens and study scaling, downstream performance, and representation reuse. LPM improves over strong task-specific baselines across multiple prediction tasks in Merchant and Treasury Services, demonstrating applicability in distinct payment domains. Its representations also facilitate adaptation to a target not observed during pretraining through compact task-specific components. Together with production deployment, these results position LPM as a practical basis for reusable payments intelligence.

cs.LG · cs.AI · cs.CE

版本更新 · v2arXiv:2610.12537

Market Impact Estimation via Causal Foundation Models

Dennis Thumm, Ying Chen

原文摘要

When a trader executes a large order, the relevant question is not \emph{what will the price be?} but \emph{what would the price have been had I not traded?} Market impact is thus a causal quantity, yet classical models (Almgren--Chriss, propagators) regress price on flow, which is biased whenever informed flow moves prices through information as well as trading. We present a proof-of-concept \emph{Causal Market Simulator}: a continuous-time causal prior-data fitted network (PFN) trained on a synthetic market prior in which a hidden informational flow confounds the flow--price relation by construction, with confounding strength an exact per-episode knob. On this prior, the naive estimator's bias follows a closed form we confirm empirically (up to 68\% overestimation), while the PFN tracks the unbiased true-parameter oracle at high confounding. Its \emph{do-ablated twin}, the same model with the intervention inputs removed, collapses onto the pre-window mean. Zero-shot, the model responds at the ground-truth scale to metaorders in an ABIDES limit-order book (+0.38 pre-onset standard deviations against seed-replay counterfactuals), and its intervention response replicates on about 2,300 detected flow bursts in BTC/ETH/SOL perpetuals and 3,800 on Nasdaq equities, evidence consistent with, though not proof of, causal transfer. Off-prior the response degrades gracefully, and split-conformal recalibration repairs interval calibration. Transfer hinges on encoding the metaorder as added flow rather than a clamped price level, not on more training. A recurrent state-space variant closes the remaining shape gap: its impact accrues over execution duration where the transformer's stays flat, raising the correlation with measured metaorder impact from +0.68 to between +0.92 and +0.96, at the cost of weaker on-prior deconfounding that traces to the training recipe rather than to recurrence.

cs.LG · cs.CE · q-fin.TR

新论文 · v1arXiv:2611.15338

Matrix-Based Ant Colony Search with Batched Decoding for Hierarchical Replenishment Routing: A Stylized Case Study Based on Korean City Data

Jun Zhang, Wei-Jie Yu, Tong Qian, Eui Jeong Kwak, Sang-Woon Jeon, Hua Ding, Qijia Jiang, Hu Jin 等 10 位作者

原文摘要

We study a stylized single-vehicle replenishment-routing problem in which the cities of a national logistics network are both demand points and supply points: a vehicle of limited capacity delivers to every city once, and when its load is insufficient for the next city it must detour to a city already served that can still supply goods. A 100-node benchmark is built from Korean population and geographic data, with the cities divided into 10 levels; the per-visit supply coefficient and the allowed number of stops decrease geometrically with the level. Building on matrix-based ant colony optimization, we keep the states of the whole colony in arrays, couple route construction with a fixed greedy replenishment-decoding policy, and evaluate the candidate moves of a local search in batches. With frozen parameters and 30 runs on seeds never used for tuning, the matrix-based ant colony search with the batch local search (MACO) reaches a mean total distance of 3081.7 km; a genetic algorithm equipped with the same local search at the same frequency reaches 3074.9 km (no significant difference), and a MAX-MIN ant system with the same local search 3142.2 km. Ablation identifies the batch local search as the main contributor to solution quality; a load-aware transition factor gives no significant gain. Within the parameter ranges tested, raising the supply coefficients of the cities below the top level shortens the route more than relaxing the stop limits, which are not binding here.

cs.NE · cs.AI · cs.CE · math.OC

新论文 · v1arXiv:2611.15154

SciSelect-Gym: An Environment and Benchmark for Active Learning and Bayesian Optimization Configuration Selection

Ying-Peng Tang, Tianle Zhang, Wanlong Fang, Ng Jing Xiang, Alvin Chan

原文摘要

In many scientific tasks, scientists repeatedly choose a small set of candidates to test, learn from the results, and use the observations to guide the next selection. Methods based on active learning~(AL) or Bayesian optimization~(BO) have been proposed for these iterative screening campaigns with a surrogate model. Yet, selecting the surrogate model and acquisition function for a new dataset remains challenging due to limited empirical evidence, while the effectiveness of large language models (LLMs) in making such decisions remains unclear. To address these gaps, we introduce SciSelect-Gym, an environment for simulating AL/BO data selection campaigns and evaluating configuration choices. We conducted simulations of AL/BO data selection campaigns across several settings and more than 100 molecular datasets. Using completed simulation campaigns as context improves LLM recommendation shortlists on held-out datasets more consistently than it improves the quality of their first choice. SciSelect-Gym provides a simulation platform and recommendation protocols for learning how to choose configurations before an acquisition campaign. An implemented agent use case connects these campaign records and simulation tools to LLM-generated configuration-selection policies. The code is provided as supplementary material.

cs.CE

新论文 · v1arXiv:2611.14796

Selecting and verifying load-bearing periodic cells for elastic-wave band gaps with numerical acceptance checks

Shaoliang Yang, Jun Wang

原文摘要

A lattice mount must be stiff enough to support equipment and block vibration over a specified frequency range. Fast simulations help rank designs, but their errors can lead to a wrong acceptance decision. We present AMM (AgenticMetamaterials), an open-source Python tool that searches repeating cubic cells for targets on stiffness, the fraction of the cell that is solid, and band gaps. A complete band gap is an interval with no elastic-wave propagation in any direction. A separate checker allows for changes as the simulation grid gets finer. For gaps, it also tests for modes at sampled wave directions and wavelengths, so it can miss modes between samples. In 1,500 near-threshold tests of stiffness and solid fraction, the checker accepted 454 of 750 claims supported by the reference and none of the 750 false claims. Using the finest grid estimate alone accepted 42 false claims. In an independent finite-element comparison on ten new cells built from cubes joined by bars, the checker accepted one of two true gap claims and left all 17 false claims undecided. The reference could not classify the remaining claim. The protocol required every reported edge to err on the side of a narrower gap. The checker failed this test when it placed one upper edge too high, even though it left that thin-bar cell's claim undecided. Separating search from acceptance shows which targets the evidence supports and where a calculation needs further refinement.

cs.CE · physics.comp-ph

新论文 · v1arXiv:2611.14770

Nonlinear homogenization of periodic unit cells composed of mixed continuum and structural elements with variationally consistent boundary-member reduction

Jonathan Stollberg, Dominik Schillinger

原文摘要

Periodic architected materials may be represented by representative volume elements (RVEs) combining continuum, truss, beam, and shell constituents. Their mixed translational and rotational kinematics complicate a consistent scale transition to a macroscale Cauchy continuum. We establish a nonlinear first-order computational homogenization framework for such mixed-dimensional RVEs. An auxiliary finite-strain Cosserat continuum serves solely as a power-equivalent carrier of their virtual power and generalized boundary kinematics. Its uniform rotation is identified with the macroscopic polar rotation and its wryness vanishes, so the effective medium remains of Cauchy type. Under periodic translational and rotational constraints, the Hill-Mandel condition yields a common nodal-force virial for the effective first Piola-Kirchhoff stress, independent of element type. For lower-dimensional members on periodically identified cell boundaries, fractional ownership of internal virtual work is shown to be variationally equivalent to a topology-preserving reduction retaining one representative of each set of periodic element copies. Because this equivalence covers the complete element virtual work and consistent linearization, it applies to geometrically and materially nonlinear and path-dependent constituents without rescaling section properties, constitutive parameters, or internal variables. Numerical examples recover the analytical small-strain response and cubic symmetry of a mixed continuum-shell-beam cell, verify the reduction and discrete power balance, and demonstrate finite-rotation buckling of a hyperelastic Octet lattice and history-dependent yield-surface evolution of an elastoplastic sandwich cell. The open-source implementation abqhom couples the framework to Abaqus.

cs.CE

版本更新 · v4arXiv:2511.04556

Flow Reconstruction from Sparse Measurements in Urban Drainage Networks: A Simulation-Based Evaluation of Data-Driven Sparse Sensing

Zihang Ding, Amit Kumar, Imran Md. Azizul Islam, Mila Avellar Montezuma, Ruihang Zhang, Kun Zhang

原文摘要

Urbanization and increasingly frequent intense storms are placing stress on urban drainage networks. While dense monitoring is desirable, practical constraints in time, budget, and technology hinder its full implementation. How to monitor and predict flow conditions across the entire network under constrained resources is a major challenge. To address this, we evaluated data-driven sparse sensing (DSS), which selects sensor locations and reconstructs network-wide flow from the same reduced basis, in a 76-conduit urban drainage network. Simulations of a calibrated SWMM model were used to construct an event-weighted spatial basis using singular value decomposition (SVD), select rank-specific layouts using pivoted QR, and define the reconstruction decoder. Applied to 225 held-out simulations combining 25 plausible calibrated parameter sets with nine rainfall events, monitoring 5 of the 76 conduits (6.6%) achieved a median system-level Nash-Sutcliffe efficiency (NSE) of 0.992 (10th percentile 0.973) for observed storms, and a median NSE of 0.967 at the active unmonitored conduits. Pivoted QR performed comparably to genetic-algorithm layouts without requiring iterative layout searches, whereas largest-upstream-area placement failed with the DSS decoder and trailed QR even with a weighted regression decoder. The DSS flow reconstruction performance was insensitive to prescribed multiplicative Gaussian measurement noise, additive noise up to about 2 L/s and a 10 L/s detection floor, but showed location-dependent responses to loss of a monitored conduit, which a refitted regression decoder largely removed. This study supports the use of DSS, driven by physics-based simulations, for deciding how many flow sensors to install and where.

cs.AI · cs.CE

版本更新 · v2arXiv:2606.02618

Closed-Loop Molecular Design with Calibrated Deference

Newman Cheng, Gordon Broadbent, Jason Dong, Syed Mohammed Ali Hussaini, Farman Ullah, Morris Sharp, Gabrielle Barnes, Nanlin Guo 等 19 位作者

原文摘要

As AI systems become increasingly capable scientific collaborators, a fundamental challenge that arises is not only generating explanations, but calibrating confidence in them. We present Discovery, a multi-agent scientific system designed to assess the reliability of tools and data during adaptive reasoning, track evidence and assumptions while resolving uncertainty using a persistent graph memory. Discovery enables a capability we term calibrated deference: the ability to adjust confidence in its tool use, assumptions, and mechanistic explanations based on these assessments, communicate uncertainty to human collaborators, and adapt strategies accordingly. We evaluated Discovery in a closed-loop human-AI campaign to design an aqueous organic redox flow battery negative electrolyte. Discovery proposed candidates and interpreted results in collaboration with chemists, who synthesized, characterized, and guided design. Across 17 candidates over three rounds, Discovery converged on a candidate with a redox potential improved by 130 mV relative to the literature baseline. However, experimental characterization revealed poor electrochemical reversibility that the predictors used in the campaign could not anticipate. In response, Discovery generated competing mechanistic hypotheses, prioritized discriminating diagnostics, and traced the behavior to phosphonate-potassium ion pairing. Discovery designed a sulfonate analog to reduce potassium-ion pairing, and the resulting compound improved electrochemical reversibility while maintaining a 90 mV improvement in redox potential, closing the design-make-test-redesign loop. Across the campaign, Discovery demonstrated the ability to maintain a coherent world model, updating in response to unexpected results, and leverage it to drive molecular design.

cs.CE · cs.AI · cs.MA · physics.chem-ph

新论文 · v1arXiv:2611.14158

Neural network scaling and generalization for 3D strain fields in heterogeneous materials

Lucas Fourel, Paul Devianne, Marine Debouvry, Tristan Destruhaut, Russell Gunn, Ashwini Gupta, Lori Graham-Brady, Jean-François Molinari

原文摘要

Computational homogenization and coupled multiscale simulations of heterogeneous materials require repeated solution of mechanical fields on Representative Volume Elements, which becomes prohibitively expensive for high-resolution three-dimensional microstructures. Machine-learning surrogates can accelerate these computations, yet most existing approaches predict fields for fixed macroscopic loadings and provide limited guidance on how to scale network architectures for high-resolution 3D tensor-field prediction. This work presents a U-Net surrogate trained to predict the full 36-component strain localization tensor field in voxelized concrete mesostructures at resolutions up to $256^3$. Training localization tensors are generated with an FFT-based linear elastic solver, and an extensive hyperparameter optimization is performed to derive scaling rules and an accuracy-speed trade-off analysis. The results show that only network width and depth need to be scaled with problem complexity, while several conventional U-Net design choices, such as doubling channels after downsampling, are suboptimal for this problem. The final neural network achieves a Mean Absolute Error of 1.118% on both the validation and the held-out test sets, and an inference speedup of approximately 8.7x over the FFT-based solver on an Nvidia H100 GPU. Generalization experiments reveal transfer across aggregate volume fractions and highlight the importance of training on diverse morphologies. To safeguard reliability, a Maximum Mean Discrepancy metric computed on internal feature maps is proposed for detecting out-of-distribution microstructures without costly reference computations.

physics.comp-ph · cs.CE

新论文 · v1arXiv:2611.13921

N -phase flow simulations using X-Mesh and an explicit marker interface representation

Antoine Quiriny, Jonathan Lambrechts, Michel Henry, Nicolas Moës, Jean-François Remacle

原文摘要

We present a marker-based X-Mesh framework for incompressible N-phase flow simulations with sharp, explicitly tracked interfaces. The interface is represented by Lagrangian marker chains, while the computational mesh is deformed so that selected mesh edges conform to the tracked geometry without changing mesh connectivity. This combination preserves the advantages of body-fitted finite element discretizations while allowing highly distorted and nearly degenerated elements to capture fine interfacial features on relatively coarse meshes without requiring mesh refinement. The arbitrary Lagrangian-Eulerian (ALE) finite element solver uses a pressure field that is continuous within each phase and discontinuous across the fitted interface. Surface tension is introduced through a variational membrane, so the pressure jump is resolved without prescribing a curvature-dependent correction; a Young wall energy provides the corresponding treatment of fluid-fluid-solid triple points. Topological changes are handled geometrically from the marker representation. Numerical experiments illustrate the ability of the approach to transport complex interfaces and to control topology changes through marker-based feature-size criteria.

cs.CE · math.NA

版本更新 · v3arXiv:2608.01076

DREChanNet: Patient-Relative iEEG Model for Channel-Wise Epileptogenic Zone Localization

Yuanchu Gong, Zibo Yan, Yibo Lyu, Zhe Shi, Qiang Li, Yuanfeng Zhou, Minqiang Yang, Yalin Wang 等 10 位作者

原文摘要

Accurate localization of the epileptogenic zone (EZ) is essential for presurgical evaluation of patients with drug-resistant focal epilepsy. Intracranial electroencephalography (iEEG) provides direct recordings of seizure-related brain activity, yet identifying epileptogenic contacts remains challenging because background electrophysiological activity and electrode coverage vary substantially across patients. These differences complicate the interpretation of absolute signal measurements and highlight the need to account for patient-specific recording context. We propose a patient-relative (PR) plug-in that expresses physiological features or learned representations relative to the distribution of recorded channels within each patient. This label-free operation can be incorporated as an input transformation or a lightweight correction to an existing predictor. We further introduce DREChanNet, a compact ictal localization model integrating six physiological descriptors with learned raw-signal representations. Same-channel pre-onset contrasts characterize seizure-related changes, cross-seizure aggregation preserves response magnitude and variability, and PR contextualizes both branches before prediction. We investigate within-patient physiological associations and held-out-channel reference prediction, followed by baseline comparisons, component ablations, cross-source transfer, seizure-sufficiency analysis, and channel ranking. Evaluation includes an ictal cohort of 80 patients and a patient-based interictal cohort of 124 patients. PR improves macro-F1 by an average of 9.03 percentage points across eight ictal baselines and improves the separately fitted interictal readout. These findings support patient-relative contextualization as a reusable approach to channel-level localization and establish DREChanNet as an integrated model for ictal iEEG analysis.

cs.CE

新论文 · v1arXiv:2611.13572

Market-Conditioned JEPA: Learning from Unpredictable Market Shocks

Yuqi Wang, Fengyuan Liu, Mukai Li, Haochen Luo, Lei Li, Qi Liu

原文摘要

Much of the variation in financial time series is driven by market-wide shocks that cannot be predicted from an asset's own history. Per-asset self-supervised learning treats this variation as irreducible noise. Under a latent factor model, we show that conditioning prediction on the realized market factor makes the asset's market exposure necessary for optimal prediction, while reducing the noise against which the asset-specific component is learned. Building on this insight, we introduce Market-Conditioned JEPA (MC-JEPA), a joint-embedding predictive architecture for financial time series. During training, we construct a leave-one-out market condition for each asset from the future target embeddings of other assets and incorporate it through factor loadings derived from the asset's own representation. On 11 years of minute-level Chinese A-share data, MC-JEPA improves over per-asset JEPA across nine targets spanning returns, market exposure, risk, and liquidity, with the strongest and most statistically significant gains in exposure, risk, and liquidity. It achieves the best RankIC on all liquidity targets and on return horizons from two hours to five days, outperforming time-series foundation models and self-supervised baselines, and delivers the best portfolio performance in a historical backtest. Ablations show that the return and exposure gains require the condition to be aligned with the realized market movement. After restoring the volatility scale removed by normalization, the predictor's factor loadings rank stocks by market beta nearly as well as a supervised probe, without labels. A synthetic factor-model study with known parameters shows that conditioning improves the recovery of both market exposure and the asset-specific component.

cs.LG · cs.AI · cs.CE

版本更新 · v2arXiv:2605.09288

MC$^2$: Monte Carlo Correction for Fast Elliptic PDE Solving

Ethan Hsu, Hong Meng Yam, Ivan Ge

原文摘要

Partial differential equation (PDE) solvers underpin modern computer graphics, geometry processing, and scientific computing. Classical Monte Carlo PDE solvers such as Walk-on-Spheres (WoS) provide mesh-free estimations that are unbiased, but with accuracy limited by sampling and numerical approximation. Learned solvers are fast but biased and brittle under distribution shift. We therefore present MC$^2$, a hybrid Neural Network-Monte Carlo PDE solver that treats a low-budget Monte Carlo solution as a structured estimator of the true field and learns a single-pass neural correction to recover a high-fidelity solution. MC$^2$ matches the accuracy of solutions using over $1000\times$ more Monte Carlo samples, outperforming all evaluated mesh-free classical, denoising, and neural-operator baselines. To enable reproducible study of finite-compute PDE solving, we additionally release PDEZoo, the largest standardized elliptic PDE benchmark to date: 2 million PDEs spanning 5 elliptic families and unlimited geometric compositions, with analytic ground truth and multi-budget Monte Carlo trajectories. Together, MC$^2$ and PDEZoo (1) empirically establish that finite-sample Monte Carlo error is structured, learnable, and correctable in a single forward pass, (2) show that we can solve PDEs $\sim$218$\times$ faster than WoS at matched accuracy and achieve a $\sim$171$\times$ reduction in inference time relative to state-of-the-art diffusion methods while attaining higher accuracy, and (3) provide the reproducible evaluation infrastructure the field has so far lacked. Code & Data: https://mc-error-correction.github.io

cs.LG · cs.AI · cs.CE · cs.CV · math.NA

新论文 · v1arXiv:2611.14574

The norm, not the labels: training and evaluating finite-element surrogates for stress analysis in the energy norm

Ruifeng Cao, Xidan Song

原文摘要

Finite-element surrogates predict the stresses of a new design in one evaluation, but are usually trained on solutions with a displacement loss and compared by it, although engineering decisions rest on stresses. Application in engineering: stress analysis of perforated plates and solids with cavities, parametric families in which holes concentrate stress. Contribution to artificial intelligence: training and evaluating such surrogates in the energy norm, with or without solutions, and screening their predictions without solutions. For linear elastostatics, minimising the assembled discrete potential energy is exactly supervised regression in this norm: the energy gap of a prediction is the strain energy of its stress error. A displacement loss under-weights the stiff modes that carry the strains. In pre-registered comparisons, changing only the norm of the supervised loss cut a three-dimensional transformer's median energy-norm error 7.5-fold and its median von Mises error 6.1-fold; in two dimensions it more than halved the von Mises error, also on held-out instances. In three dimensions, the transformer trained on the energy alone came within a factor of 1.3 of the energy-norm-supervised one in median energy-norm and von Mises error. It was more accurate than the displacement-supervised one on all five metrics in every seed. Given the stiffness matrix, a Ritz projection was more accurate than the label-free transformer, in the seed means, on every metric but peak stress. No network transferred to a substantially finer mesh. The energy ranks predictions of a load case, and its sign flags those worse than the zero field.

cs.CE · cs.LG

版本更新 · v2arXiv:2608.10342

Shape optimisation of nonlinear Naghdi shells on discrete geometries

Ado Farsi, Alberto Paganini

原文摘要

We present an automated framework for the shape optimisation of a geometrically nonlinear, five-parameter Naghdi model on faceted triangulations. By recovering directors numerically, we remove the requirement for an analytic or spline parameterisation of the mid-surface, whereas partial selective reduced integration alleviates locking. The residual and tangent of symbolic energies are generated in an automated fashion building on Firedrake's and UFL's symbolic differentiation capabilities. Additionally, UFL's and pyadjoint's algorithmic differentiation enables automated first and second shape derivative evaluations that are verifiably correct via Taylor tests. The forward model agrees with the Sze/Abaqus semi-cylinder reference. A three-model mesh-refinement study indicates that geometry recovery and surface faceting have small effects on the predicted deflection. Numerical experiments show that 100 trust-region iterations suffice to reduce the squared-displacement functional of a semi-cylinder by 98.4% and the elastic strain energy of a bracket by 94.6%. The latter result is validated against a COMSOL benchmark. Non-uniqueness of optimal shapes is demonstrated by optimising initial designs subject to small perturbations. Comparisons with linearised designs distinguish optimisation performance from the accuracy of the predicted nonlinear response.

math.NA · cs.CE

版本更新 · v3arXiv:2604.08116

A unifying view of contrastive learning, importance sampling, and bridge sampling for energy-based models

Luca Martino

原文摘要

In the last decades, energy-based models (EBMs) have become an important class of probabilistic models in which a component of the likelihood is intractable and therefore cannot be evaluated explicitly. Consequently, parameter estimation in EBMs is challenging for conventional inference methods. This work is a review paper that brings together these different methodological contributions within a unified framework, highlighting the connections among noise contrastive estimation (NCE), reverse logistic regression (RLR), Bennett's acceptance-ratio (BAR) method, multiple importance sampling (MIS), and bridge sampling within the context of EBMs. Some of them are equivalent under specific conditions. This unified perspective clarifies relationships among existing methods and enables the development of new estimators, with the potential to improve statistical and computational efficiency. Furthermore, this study helps elucidate the success of NCE in terms of its flexibility and robustness, while also identifying scenarios in which its performance can be further improved. Our aim is to provide a self-contained and accessible treatment, with clear and straightforward derivations, that brings together these contributions within a common framework and makes the main results and their underlying ideas understandable to a broader readership. The contribution is twofold. First, this work serves as a comprehensive tutorial for researchers entering the field, introducing the fundamental concepts and derivations. Second, it offers a thorough review for experienced practitioners. The code used in the numerical experiments is available to support the reproducibility of the results.

cs.CE · eess.SP · stat.CO · stat.ML