arXiv subjects

Zirui Zhou

Publications and source records attributed to Zirui Zhou.

At least 19 recordsLinked to original sources

arXiv2026

Remote epitaxy beyond polarity

Remote epitaxy through a monolayer two-dimensional material-covered substrate establishes a crystallographic registry across the van der Waals (vdW) surface that enables the epitaxial growth, lift-off and transfer of single-crystalline films. A central belief in remote epitaxy is that the substrate facilitating the phenomenon must be a material with strong ionicity, as the interatomic electrostatic potential fluctuation in covalent and metallic materials is substantially attenuated by two-dimensional materials. Here, we show remote epitaxy is possible when the substrate is a metallic or covalently bonded material and experimentally demonstrate non-polar remote homo- and heteroepitaxy across a wide range of material systems, including both metals and semiconductors. The achieved non-polar remote interactions are designed and engineered by harnessing substrate conductivity and vicinal surface step-edge density. These findings indicate that remote epitaxy is universal and applicable to ionic, metallic, and covalent materials, expanding its capabilities and stimulating a plethora of new fundamental scientific questions about the mechanism of remote epitaxy.

cond-mat.mtrl-sci↗

arXiv2026

RoboSnap: One-Shot Real-to-Sim Scene Generation for Generalizable Robot Learning and Evaluation

Recovering real-world scenes as interactive simulation environments can enable generalizable robot learning and reproducible policy evaluation. However, constructing scenes that are both physically stable and visually faithful remains slow and expensive. In this work, we present RoboSnap, a real-to-sim framework that turns a single RGB image into a simulation-ready scene. The key idea is a layered design that separates the physics-critical interaction area from the surrounding visual context: collision-aware foreground assets are refined for stable robot interaction, while a 3D Gaussian splatting visual layer preserves faithful background appearance under novel views. Experiments on DROID scenes and real-robot tasks show that RoboSnap achieves reliable trajectory replay in the recovered scenes, supports task-specific synthetic data generation for policy training, and yields meaningful sim-real correlation for policy evaluation. To further support real-to-sim research, we introduce DROID-Sim, a real-to-sim companion dataset constructed from 564 real-world scenes in DROID. Extensive experiments suggest that the value of real-to-sim methods lies not only in high-fidelity visual reconstruction, but in turning real environments into reusable infrastructure for robot learning and evaluation.

cs.RO↗

arXiv2026

COAgents: Multi-Agent Framework to Learn and Navigate Routing Problems Search Space

Although Vehicle Routing Problems (VRP) are essential to many real-world systems, they remain computationally intractable at scale due to their combinatorial complexity. Traditional heuristics rely on handcrafted rules for local improvements and occasional \textit{jumps} to escape local minima, but often struggle to generalize across diverse instances. We introduce \textbf{COAgents}, a cooperative multi-agent framework that models the search process as a graph: nodes represent solutions, and edges correspond to either local refinements or large perturbations for diversification (i.e., jumps). A \textit{Partial Search Graph} (PSG) is dynamically constructed during search, enabling COAgents to train a Node Selection Agent and a Move Selection Agent to guide intensification, and a Jump Agent to trigger well-timed explorations of new regions. Unlike end-to-end learning approaches, COAgents cleanly separates problem-agnostic search control from compact domain-specific encoding, facilitating adaptability across tasks. Extensive experiments on the CVRP and VRPTW benchmarks show that COAgents remains competitive with several learn-to-search baselines on CVRP and sets a new state of the art among learning-based methods on the more challenging VRPTW instances, reducing the gap to the best-known solutions by 14\% at $N\!=\!100$ and 44\% at $N\!=\!50$ relative to the strongest neural solver (POMO), and by 21\% and 40\% respectively relative to ALNS. Code is available at https://github.com/mahdims/COAgents.

cs.AI↗

arXiv2026

Latent Heuristic Search: Continuous Optimization for Automated Algorithm Design

The integration of Large Language Models (LLMs) into evolutionary frameworks has established a new paradigm for automated heuristic discovery. Despite their promise, these methods typically search in the discrete space of program syntax, relying on stochastic sampling to navigate a highly non-convex optimization landscape. This work proposes a continuous heuristic discovery framework that shifts optimization to a learned latent manifold. We employ an encoder to map discrete programs into continuous embeddings and train a differentiable surrogate model to predict performance, enabling gradient-based search. To regularize the optimization trajectory, an invertible normalizing flow maps these embeddings to a structured Gaussian prior, where we perform gradient ascent. The resulting optimized latent vectors are projected through a learned mapper into soft prompts, which condition a frozen LLM to synthesize novel executable heuristics. We evaluate the proposed method on the Traveling Salesman Problem (TSP), the Capacitated Vehicle Routing Problem (CVRP), the Knapsack Problem (KSP), and Online Bin Packing (OBP). Empirical results demonstrate that continuous latent-space optimization achieves performance competitive with state-of-the-art discrete evolutionary baselines while offering a complementary methodological alternative for automated algorithm design. The implementation code is available at \url{https://github.com/cheikh025/LHS}.

cs.AI↗

arXiv2026

Universal effect of ammonia pressure on synthesis of colloidal metal nitrides in molten salts

Metal nitrides represent a large class of materials with extensive applications in optoelectronics, energy, and healthcare technologies. For example, GaN and related nitride semiconductors are key materials for solid-state lighting and high-power electronics, TiN and other early transition metal nitrides (TMNs) are widely used in wear-resistant alloys, tool coatings, catalysts and medical implants. Strong metal-nitrogen bonds grant nitrides structural rigidity as well as chemical and thermal stability. However, the covalency of metal-nitrogen bonds necessitates high temperatures to synthesize crystalline metal nitrides. Common synthetic routes include high-temperature solid-state nitridation, crystal growth in supercritical ammonia, molecular-beam epitaxy (MBE), reactive sputtering, and chemical vapor deposition (CVD). The solution synthesis of colloidal nitride nanocrystals (NCs) is rare and particularly challenging because commonly used solvents and surfactants decompose at temperatures far below those required for crystallization of most metal nitrides. Here we report a general approach to solution synthesis of colloidal metal nitride NCs by reacting metal halides and ammonia dissolved in molten inorganic salts at elevated pressures. Successful syntheses of colloidal TiN, VN, GaN, NbN, Mo2N, Ta3N5, W2N, as well as ternary Ti1-xVxN NCs, are demonstrated. These NCs expand the scope of solution-processable technologically important materials.

cond-mat.mtrl-sci↗

arXiv2026

AIvilization v0: Toward Large-Scale Artificial Social Simulation with a Unified Agent Architecture and Adaptive Agent Profiles

AIvilization v0 is a publicly deployed large-scale artificial society that couples a resource-constrained sandbox with a unified LLM-agent architecture, aiming to sustain long-horizon autonomy while remaining executable under a rapidly changing environment. To mitigate the tension between goal stability and reactive correctness, keeping long-horizon objectives on course while each action remains valid in a fast-changing shared world, we introduce (i) a hierarchical branch-thinking planner that decomposes life goals into parallel objective branches and uses simulation-guided validation plus tiered re-planning to ensure feasibility; (ii) an adaptive agent profile with dual-process memory that separates short-term execution traces from long-term semantic consolidation, enabling persistent yet evolving identity; and (iii) a human-in-the-loop steering interface that injects long-horizon objectives and short commands at appropriate abstraction levels, with effects propagated through memory instead of brittle prompt overrides. The environment integrates physiological survival costs, non-substitutable multi-tier production, an AMM-based price mechanism, and a gated education-occupation system. In a large-scale public deployment with tens of thousands of agents, high-frequency transactions from the platform's mature phase reveal stable markets that reproduce key stylized facts of real economies and structured wealth stratification driven by education and access constraints. At the agent level, portraits evolve coherently over long horizons, and human steering is associated with measurably larger short-horizon profile updates. Controlled ablation experiments complement the deployment evidence, showing that our agent architecture is robust in multi-objective, long-horizon settings.

cs.MA↗

arXiv2026

Atomic Alignment in PbS Nanocrystal Superlattices with Compact Inorganic Ligands via Reversible Oriented Attachment of Nanocrystals

Nanocrystals (NCs) serve as versatile building blocks for the creation of functional materials, with NC self-assembly offering opportunities to enable novel material properties. Here, we demonstrate that PbS NCs functionalized with strongly negatively charged metal chalcogenide complex (MCC) ligands, such as $Sn_2S_6^{4-}$ and $AsS_4^{3-}$, can self-assemble into all-inorganic superlattices with both long-range superlattice translational and atomic-lattice orientational order. Structural characterizations reveal that the NCs adopt unexpected edge-to-edge alignment, and numerical simulation clarifies that orientational order is thermodynamically stabilized by many-body ion correlations originating from the dense electrolyte. Furthermore, we show that the superlattices of $Sn_2S_6^{4-}$-functionalized PbS NCs can be fully disassembled back into the colloidal state, which is highly unusual for orientationally attached superlattices with atomic-lattice alignment. The reversible oriented attachment of NCs, enabling their dynamic assembly and disassembly into effectively single-crystalline superstructures, offers a pathway toward designing reconfigurable materials with adaptive and controllable electronic and optoelectronic properties.

cond-mat.mtrl-sci↗

arXiv2025

3D Scene Change Modeling With Consistent Multi-View Aggregation

Change detection plays a vital role in scene monitoring, exploration, and continual reconstruction. Existing 3D change detection methods often exhibit spatial inconsistency in the detected changes and fail to explicitly separate pre- and post-change states. To address these limitations, we propose SCaR-3D, a novel 3D scene change detection framework that identifies object-level changes from a dense-view pre-change image sequence and sparse-view post-change images. Our approach consists of a signed-distance-based 2D differencing module followed by multi-view aggregation with voting and pruning, leveraging the consistent nature of 3DGS to robustly separate pre- and post-change states. We further develop a continual scene reconstruction strategy that selectively updates dynamic regions while preserving the unchanged areas. We also contribute CCS3D, a challenging synthetic dataset that allows flexible combinations of 3D change types to support controlled evaluations. Extensive experiments demonstrate that our method achieves both high accuracy and efficiency, outperforming existing methods.

cs.CV↗

arXiv2025

IntAttention: A Fully Integer Attention Pipeline for Efficient Edge Inference

Deploying Transformer models on edge devices is limited by latency and energy budgets. While INT8 quantization effectively accelerates the primary matrix multiplications, it exposes the softmax-related path as the dominant bottleneck. This stage incurs a costly dequantize -> softmax -> requantize detour, which can account for up to 65% of total attention latency and disrupts the end-to-end integer dataflow critical for edge hardware efficiency. To address this limitation, we present IntAttention, the first fully integer attention pipeline that serves as a training-free drop-in replacement. At the core of our approach lies IndexSoftmax, a hardware-friendly operator that replaces floating-point exponentials entirely within the integer domain. IntAttention integrates sparsity-aware clipping, a 32-entry lookup table approximation, and direct integer normalization, thereby eliminating datatype conversion overhead along the attention path. Experiments on Armv8 CPUs show that our method achieves up to 3.7x speedup and 61% energy reduction over FP16 baselines, and up to 2.0x speedup over conventional INT8 attention pipelines. Across diverse language and vision models, as well as additional reasoning and long-context evaluations, IntAttention maintains strong overall fidelity and demonstrates a more favorable trade-off than existing LUT-based softmax approximations. Code is available at https://github.com/WanliZhong/IntAttention

cs.LG↗

arXiv2025

MASPRM: Multi-Agent System Process Reward Model

Inference-time search over multi-agent systems (MAS) wastes compute when it cannot identify which agent's intermediate message advanced progress. We present the Multi-Agent System Process Reward Model (MASPRM), which scores routed transcripts (ordered sequences of messages between agents) and acts as an inference controller for step-level beam search (SBS) and Monte Carlo Tree Search (MCTS). MASPRM is trained from multi-agent MCTS rollouts labeled only with terminal outcome rewards, without human step-level annotations. We evaluate on GSM8K, MATH, MMLU, and LogiQA. Under matched scorer size and comparable MCTS budget, MASPRM exceeds a size-matched ORM by $+2.0$ to $+3.0$ points at 1.5B and $+4.1$ to $+14.5$ at 7B across all four benchmarks, with additional scorer-scaling gains over policy likelihood at 7B (avg $+13.4$ under MCTS). MASPRM also improves ranking quality, reducing Hit@1 to Hit@5 gaps by up to $10.3$ points, with the largest gains under stepwise search that uses intermediate decisions. Code: https://github.com/milad1378yz/MASPRM

cs.MA↗

arXiv2025

Pose as Clinical Prior: Learning Dual Representations for Scoliosis Screening

Recent AI-based scoliosis screening methods primarily rely on large-scale silhouette datasets, often neglecting clinically relevant postural asymmetries-key indicators in traditional screening. In contrast, pose data provide an intuitive skeletal representation, enhancing clinical interpretability across various medical applications. However, pose-based scoliosis screening remains underexplored due to two main challenges: (1) the scarcity of large-scale, annotated pose datasets; and (2) the discrete and noise-sensitive nature of raw pose coordinates, which hinders the modeling of subtle asymmetries. To address these limitations, we introduce Scoliosis1K-Pose, a 2D human pose annotation set that extends the original Scoliosis1K dataset, comprising 447,900 frames of 2D keypoints from 1,050 adolescents. Building on this dataset, we introduce the Dual Representation Framework (DRF), which integrates a continuous skeleton map to preserve spatial structure with a discrete Postural Asymmetry Vector (PAV) that encodes clinically relevant asymmetry descriptors. A novel PAV-Guided Attention (PGA) module further uses the PAV as clinical prior to direct feature extraction from the skeleton map, focusing on clinically meaningful asymmetries. Extensive experiments demonstrate that DRF achieves state-of-the-art performance. Visualizations further confirm that the model leverages clinical asymmetry cues to guide feature extraction and promote synergy between its dual representations. The dataset and code are publicly available at https://zhouzi180.github.io/Scoliosis1K/.

cs.CV↗

arXiv2025

Discrete Optimization of Min-Max Violation and its Applications Across Computational Sciences

We introduce the Discrete Min-Max Violation (DMMV) as a general optimization problem which seeks an assignment of discrete values to variables that minimizes the largest constraint violation. This context-free mathematical formulation is applicable to a wide range of use cases that have worst-case performance requirements. After defining the DMMV problem mathematically, we explore its properties to establish a foundational understanding. To tackle DMMV instance sizes of practical relevance, we develop a GPU-accelerated heuristic that takes advantage of the mathematical properties of DMMV for speeding up the solution process. We demonstrate the versatile applicability of our heuristic by solving three optimization problems as use cases: (1) post-training quantization of language models, (2) discrete tomography, and (3) Finite Impulse Response (FIR) filter design. In quantization without outlier separation, our heuristic achieves 14% improvement on average over existing methods. In discrete tomography, it reduces reconstruction error by 16% under uniform noise and accelerates computations by a factor of 6 on GPU. For FIR filter design, it nearly achieves 50% ripple reduction compared to using the commercial integer optimization solver, Gurobi. Our comparative results point to the benefits of studying DMMV as a context-free optimization problem and the advantages that our proposed heuristic offers on three distinct problems. Our GPU-accelerated heuristic will be made open-source to further stimulate research on DMMV and its other applications. The code is available at https://anonymous.4open.science/r/AMVM-5F3E/

cs.AI↗

arXiv2025

EvoCut: Strengthening Integer Programs via Evolution-Guided Language Models

Integer programming (IP) is central to many combinatorial optimization tasks but remains challenging due to its NP-hard nature. A practical way to improve IP solvers is to manually design acceleration cuts, i.e., inequalities that speed up solving. However, this creative process requires deep expertise and has been difficult to automate. Our proposed framework, EvoCut, automates the generation of acceleration cuts at the symbolic modeling level: it reasons over a symbolic MILP model and a natural language description of the problem to discover a reusable set of acceleration cuts that can be used for each concrete instance of the model. EvoCut (i) initializes a population of candidate cuts via an initializer agent that uses an LLM, (ii) empirically screens candidates on a small verification set by checking that reference solutions remain feasible and that at least one stored LP relaxation solution is cut off, and (iii) iteratively refines the population through evolutionary crossover and mutation agents. Compared to baseline MILP formulations solved with a fixed time budget, EvoCut reduces optimality gaps by up to $76\%$ and reaches target gaps up to $7.2$ times faster (shifted geometric mean speedup). Ablations show its robustness across different LLM backends and across solvers/cut settings. Code: https://github.com/milad1378yz/EvoCut.

cs.AI↗

arXiv2025

SMARTAPS: Tool-augmented LLMs for Operations Management

Large language models (LLMs) present intriguing opportunities to enhance user interaction with traditional algorithms and tools in real-world applications. An advanced planning system (APS) is a sophisticated software that leverages optimization to help operations planners create, interpret, and modify an operational plan. While highly beneficial, many customers are priced out of using an APS due to the ongoing costs of consultants responsible for customization and maintenance. To address the need for a more accessible APS expressed by supply chain planners, we present SmartAPS, a conversational system built on a tool-augmented LLM. Our system provides operations planners with an intuitive natural language chat interface, allowing them to query information, perform counterfactual reasoning, receive recommendations, and execute scenario analysis to better manage their operation. A short video demonstrating the system has been released: https://youtu.be/KtIrJjlDbyw

cs.AI↗

arXiv2025

Decompositional Neural Scene Reconstruction with Generative Diffusion Prior

Decompositional reconstruction of 3D scenes, with complete shapes and detailed texture of all objects within, is intriguing for downstream applications but remains challenging, particularly with sparse views as input. Recent approaches incorporate semantic or geometric regularization to address this issue, but they suffer significant degradation in underconstrained areas and fail to recover occluded regions. We argue that the key to solving this problem lies in supplementing missing information for these areas. To this end, we propose DP-Recon, which employs diffusion priors in the form of Score Distillation Sampling (SDS) to optimize the neural representation of each individual object under novel views. This provides additional information for the underconstrained areas, but directly incorporating diffusion prior raises potential conflicts between the reconstruction and generative guidance. Therefore, we further introduce a visibility-guided approach to dynamically adjust the per-pixel SDS loss weights. Together these components enhance both geometry and appearance recovery while remaining faithful to input images. Extensive experiments across Replica and ScanNet++ demonstrate that our method significantly outperforms SOTA methods. Notably, it achieves better object reconstruction under 10 views than the baselines under 100 views. Our method enables seamless text-based editing for geometry and appearance through SDS optimization and produces decomposed object meshes with detailed UV maps that support photorealistic Visual effects (VFX) editing. The project page is available at https://dp-recon.github.io/.

cs.CV↗

arXiv2024

Evaluating LLM Reasoning in the Operations Research Domain with ORQA

In this paper, we introduce and apply Operations Research Question Answering (ORQA), a new benchmark designed to assess the generalization capabilities of Large Language Models (LLMs) in the specialized technical domain of Operations Research (OR). This benchmark evaluates whether LLMs can emulate the knowledge and reasoning skills of OR experts when confronted with diverse and complex optimization problems. The dataset, developed by OR experts, features real-world optimization problems that demand multistep reasoning to construct their mathematical models. Our evaluations of various open source LLMs, such as LLaMA 3.1, DeepSeek, and Mixtral, reveal their modest performance, highlighting a gap in their ability to generalize to specialized technical domains. This work contributes to the ongoing discourse on LLMs generalization capabilities, offering valuable insights for future research in this area. The dataset and evaluation code are publicly available.

cs.CL↗

arXiv2024

GeoPro-Net: Learning Interpretable Spatiotemporal Prediction Models through Statistically-Guided Geo-Prototyping

The problem of forecasting spatiotemporal events such as crimes and accidents is crucial to public safety and city management. Besides accuracy, interpretability is also a key requirement for spatiotemporal forecasting models to justify the decisions. Interpretation of the spatiotemporal forecasting mechanism is, however, challenging due to the complexity of multi-source spatiotemporal features, the non-intuitive nature of spatiotemporal patterns for non-expert users, and the presence of spatial heterogeneity in the data. Currently, no existing deep learning model intrinsically interprets the complex predictive process learned from multi-source spatiotemporal features. To bridge the gap, we propose GeoPro-Net, an intrinsically interpretable spatiotemporal model for spatiotemporal event forecasting problems. GeoPro-Net introduces a novel Geo-concept convolution operation, which employs statistical tests to extract predictive patterns in the input as Geo-concepts, and condenses the Geo-concept-encoded input through interpretable channel fusion and geographic-based pooling. In addition, GeoPro-Net learns different sets of prototypes of concepts inherently, and projects them to real-world cases for interpretation. Comprehensive experiments and case studies on four real-world datasets demonstrate that GeoPro-Net provides better interpretability while still achieving competitive prediction performance compared with state-of-the-art baselines.

cs.LG↗

arXiv2024

Learn2Aggregate: Supervised Generation of Chvátal-Gomory Cuts Using Graph Neural Networks

We present $\textit{Learn2Aggregate}$, a machine learning (ML) framework for optimizing the generation of Chvátal-Gomory (CG) cuts in mixed integer linear programming (MILP). The framework trains a graph neural network to classify useful constraints for aggregation in CG cut generation. The ML-driven CG separator selectively focuses on a small set of impactful constraints, improving runtimes without compromising the strength of the generated cuts. Key to our approach is the formulation of a constraint classification task which favours sparse aggregation of constraints, consistent with empirical findings. This, in conjunction with a careful constraint labeling scheme and a hybrid of deep learning and feature engineering, results in enhanced CG cut generation across five diverse MILP benchmarks. On the largest test sets, our method closes roughly $\textit{twice}$ as much of the integrality gap as the standard CG method while running 40$% faster. This performance improvement is due to our method eliminating 75% of the constraints prior to aggregation.

cs.LG↗