Text-to-SQL is a critical task in natural language processing that aims to transform natural language questions into accurate and executable SQL queries. In real-world scenarios, these reasoning tasks are often accompanied by complex mathematical computations, domain knowledge, and hypothetical reasoning scenarios. However, existing large-scale Text-to-SQL datasets typically focus on business logic and task logic, neglecting critical factors such as vertical domain knowledge, complex mathematical reasoning, and hypothetical reasoning, which are essential for realistically reflecting the reasoning demands in practical applications and completing data querying and analysis. To bridge this gap, we introduce LogicCat, the first Text-to-SQL benchmark dataset specifically designed for complex reasoning and chain-of-thought parsing, encompassing physics, arithmetic, commonsense, and hypothetical reasoning scenarios. LogicCat comprises 4,038 English questions paired 12,114 detailed chain-of-thought reasoning steps, spanning 45 databases across diverse domains, significantly surpassing existing datasets in complexity. Experimental results demonstrate that LogicCat substantially increases the task difficulty for current state-of-the-art models to at most 33.20% execution accuracy, indicating that this task remains exceptionally challenging. The advancement of LogicCat represents a crucial step toward developing systems suitable for real-world enterprise data analysis and autonomous query generation.
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AcoustoReinforce: Multi-Particle Acoustophoretic Path Planning with Deep Reinforcement Learning
PDF ↗Acoustophoresis uses sound waves to manipulate small objects in mid-air and has broad potential in various applications. However, stable multi-particle levitation remains challenging due to complex acoustic dynamics and limitations of existing models. We introduce AcoustoReinforce, a reinforcement learning-based path planner that autonomously controls the motion of multiple levitated particles. Leveraging a decentralized architecture, it learns local neural policies that generate particle trajectories independently, enabling scalable, communication-free control even in densely populated acoustic fields. To ensure physical feasibility, acoustic trapping strength is incorporated as a constraint during both training and inference, producing trajectories that are collision-free, acoustically stable, and physically realizable within real-world system constraints. Experiments on a real-world levitation platform show that AcoustoReinforce outperforms state-of-the-art planners, improving task success rates by up to 130% across diverse configurations. These results demonstrate the effectiveness of learning-based decentralized control for complex multi-object acoustophoresis in real environments.
Consider a system of multiple physical agents tasked with collaboratively collecting a set of spatially distributed goals as quickly as possible while avoiding collisions with the environment and with each other. This type of problem, which involves Multi-Agent Path Finding (MAPF) and task allocation, is called Multi-Agent Combinatorial Path Finding (MCPF). Prior work on MCPF assumed each agent has a final goal it must reach, there are no orientation constraints on the agents' movements, and the agents will follow their planned actions as intended. These assumptions rarely hold in real physical robots, which limits the applicability of existing MCPF algorithms in practical applications. We propose the Robust CBSS framework, a robust planning approach that solves MCPF without the aforementioned simplifying assumptions, and provide two implementations: a baseline version (RCbssBase) and an efficient version (RCbssEff). RCbssEff generalizes the Conflict-Based Steiner Search (CBSS) algorithm, building on ideas from the p-Robust CBS algorithm and algorithms for solving the Equality Generalized Traveling Salesman Problem. We prove that RCbssEff is complete and can be configured to return optimal solutions. Experimental results on benchmark MCPF problems show that RCbssEff balances planning time, solution cost, and collision reduction compared to baselines.
In this paper, we propose Unreal Multi-Agent Playground (Unreal-MAP), an MARL general platform based on the Unreal-Engine (UE). Unreal-MAP allows users to freely create multi-agent tasks using the vast visual and physical resources available in the UE community, and deploy state-of-the-art (SOTA) MARL algorithms within them. Unreal-MAP is user-friendly in terms of deployment, modification, and visualization, and all its components are open-source. We also develop an experimental framework compatible with algorithms ranging from rule-based to learning-based provided by third-party frameworks. Lastly, we deploy several SOTA algorithms in example tasks developed via Unreal-MAP, and conduct corresponding experimental analyses including a sim2real demo. We believe Unreal-MAP can play an important role in the MARL field by closely integrating existing algorithms with user-customized tasks, thus advancing the field of MARL.
Understanding the emergence of collective behaviors of multi-agent systems requires investigating the learning dynamics. However, the theoretical analysis of large-scale graph-structured multi-agent reinforcement learning (MARL) systems remains challenging due to agent heterogeneity and the intrinsic coupling between state transitions and individual Q-value updates. In this work, we develop a unified theoretical framework that captures the evolution of agent behaviors at both individual and population levels. By leveraging the pair approximation technique from statistical physics, we derive a closed set of evolution equations that accurately describe the temporal dynamics of the system. Our analysis also reveals a separation of time scales. For small learning rates, state transitions equilibrate rapidly, while Q-value updates evolve slowly with stationary state distributions. Through extensive agent-based simulations, we validate the robustness of our theoretical results and explain the mechanisms that lead to the emergence of cooperation in social dilemmas. Our framework offers new perspectives for bridging complex systems science and MARL, providing insights for the design of cooperative and resilient AI.
Physics-Informed Koopman Neural Estimation of the Heston Model from High-Frequency Observations
PDF ↗We propose a physics-informed learning framework, called Koopman-PINN, to estimate the parameters of the Heston stochastic volatility model with high-frequency price data in financial markets. The method integrates a nonparametric volatility estimation (known as ART-filter in the literature), moment-based parameter initialization, and a neural Koopman operator constrained by the infinitesimal generator of the underlying stochastic differential equation. By incorporating a generator-based loss, the model bridges Koopman theory and neural modeling to handle partially observed coupled stochastic dynamics in a manner consistent with continuous-time evolution. Across diverse parameter combinations reflecting varying market conditions, Koopman-PINN consistently achieves accurate and robust five-parameter recovery, outperforming existing estimators under a minimal set of initialization assumptions.
Data-driven discovery of governing equations from data remains a fundamental challenge in nonlinear dynamics. Although sparse regression techniques have advanced system identification, they struggle with rational functions and noise sensitivity in complex mechanical systems. The Lagrangian formalism offers a promising alternative, as it typically avoids rational expressions and provides a more concise representation of system dynamics. However, existing Lagrangian identification methods are significantly affected by measurement noise and limited data availability. This paper presents a novel differentiable sparse identification framework that addresses these limitations through three key contributions: (1) the first integration of cubic B-Spline approximation into Lagrangian system identification, enabling accurate representation of complex nonlinearities, (2) a robust equation discovery mechanism that effectively utilizes measurements while incorporating known physical constraints, (3) a recursive derivative computation scheme based on B-spline basis functions, effectively constraining higher-order derivatives and reducing noise sensitivity on second-order dynamical systems. The proposed method demonstrates superior performance and enables more accurate and reliable extraction of physical laws from noisy data, particularly in complex mechanical systems compared to baseline methods.
Molecular assembly (MA) has long been a fundamental task in chemistry and biology, with the potential to create new materials and enable novel functions beyond the molecular scale. However, its vast conformational search space poses substantial challenges, and current generative models remain limited in capturing molecular flexibility and preventing non-physical poses. In this paper, we propose AssemUDB, a diffusion bridge–based framework that learns transport mappings between two distinct flexible domains for molecular assembly generation. We reformulate the marginal matching constraint of diffusion bridges as a coupling distribution governed by unbalanced transport rather than imposing strict conservation. Subsequently, we employ a progressive process from structural relaxation in Euclidean space to assembly on the SE(3) manifold. This relaxation of marginal conservation grants the generative model greater flexibility and leads to more physically plausible atom placements. Comprehensive experiments demonstrate the superior performance of AssemUDB. Notably, we find that the method demonstrates performance comparable to, or even better than, mature tools such as PackMol for packing tasks.
Many Minds, One Path: LLM-Augmented Consensus Decision for Distributed Control in Multi-Agent Collaborative Stable Scenarios
PDF ↗Distributed multi-agent systems are increasingly deployed in dynamic and high-stakes environments such as power grids, intelligent traffic systems, and collaborative robotics. In these systems, long-term stability, the ability to maintain coherent and safe system behavior over time, is critical but underexplored in existing research. This paper presents LLMASC, a framework designed to enhance long-term stability in multi-agent collaboration by combining semantic reasoning with decentralized control. LLMASC comprises three key components: a Semantic Perception Encoder that transforms heterogeneous agent observations into structured natural language; an LLM-Guided Consensus Decision module that enables strategic alignment through proposal exchange and voting; and a Policy Execution Controller that maps high-level plans to executable actions via reinforcement learning. We evaluate LLMASC across three representative simulation domains (Multi-Walker, Simulation of Urban Mobility and Power Grid Stabilization), spanning both physical and cyber-physical systems. Experiments show that LLMASC consistently outperforms the best baselines, improving stability rates by up to 44% and long-term success by 31%. Further analysis confirms its decision-making efficiency and robustness under varying agent populations and model choices.
Equivariant Atomic and Lattice Modeling Using Geometric Deep Learning for Crystal Structure Optimization
PDF ↗Structure optimization, which yields the relaxed structure (minimum‑energy state), is essential for reliable materials property calculations, yet traditional ab initio approaches such as density‑functional theory (DFT) are computationally intensive. Machine learning (ML) has emerged to alleviate this bottleneck but suffers from two major limitations: (i) existing models operate mainly on atoms, leaving lattice vectors implicit despite their critical role in structural optimization; and (ii) they often rely on multi-stage, non-end-to-end workflows that are prone to error accumulation. Here, we present E³Relax, an end-to-end equivariant graph neural network that maps an unrelaxed crystal directly to its relaxed structure. E³Relax promotes both atoms and lattice vectors to graph nodes endowed with dual scalar–vector features, enabling unified and symmetry‑preserving modeling of atomic displacements and lattice deformations. A layer‑wise supervision strategy forces every network depth to make a physically meaningful refinement, mimicking the incremental convergence of DFT while preserving a fully end‑to‑end pipeline. We evaluate E³Relax on four benchmark datasets and demonstrate that it achieves remarkable accuracy and efficiency. Through DFT validations, we show that the structures predicted by E³Relax are energetically favorable, making them suitable as high-quality initial configurations to accelerate DFT calculations.
Accurate and efficient simulations of physical phenomena governed by partial differential equations (PDEs) are important for scientific and engineering progress. While traditional numerical solvers are powerful, they are often computationally expensive. Recently, data-driven methods have emerged as alternatives, but they frequently suffer from error accumulation and limited physical consistency, especially in multiphysics and complex geometries. To address these challenges, we propose PEGNet, a Physics-Embedded Graph Network that incorporates PDE-guided message passing to redesign the graph neural network architecture. By embedding key PDE dynamics like convection, viscosity, and diffusion into distinct message functions, the model naturally integrates physical constraints into its forward propagation, producing more stable and physically consistent solutions. Additionally, a hierarchical architecture is employed to capture multi-scale features, and physical regularization is integrated into the loss function to further enforce adherence to governing physics. We evaluated PEGNet on benchmarks, including custom datasets for respiratory airflow and drug delivery, showing significant improvements in long-term prediction accuracy and physical consistency over existing methods.
Towards Real-Time Neutral Atom Array Assembly via Unsupervised Hologram Generation and Path Optimization
PDF ↗The rapid and reliable assembly of defect-free atom arrays poses a fundamental challenge for neutral atom quantum computing. While parallel rearrangement methods using spatial light modulators show promise, they suffer from significant overhead in two sub-tasks: atom-site matching and hologram generation. We propose a framework to address these bottlenecks and enhance the efficiency and fidelity of the assembly process. It features a new optimization objective for atom-site matching that minimizes the longest movement path, and a Fourier U-Net model that integrates Fourier operators with image-to-image translation to enable real-time hologram generation. The model is trained in a fully self-supervised paradigm, leveraging the physical properties of holography to remove the need for costly ground-truth labels. Experimental results show our framework not only significantly outperforms the state-of-the-art supervised CNN-based model but also achieves an inference speed orders of magnitude faster than traditional iterative algorithms, enabling real-time, dynamic atom rearrangement.
The discovery rate of optical transients will explode to 10 million public alerts per night once the Vera C. Rubin Observatory’s Legacy Survey of Space and Time comes online, overwhelming the traditional physics-based inference pipelines. A continuous-time forecasting AI model is of interest because it can deliver millisecond-scale inference for thousands of objects per day, whereas legacy MCMC codes need hours per object. In this paper, we propose SELDON, a new continuous-time variational autoencoder for panels of sparse and irregularly time-sampled (gappy) astrophysical light curves that are nonstationary, heteroscedastic, and inherently dependent. SELDON combines a masked GRU-ODE encoder with a latent neural ODE propagator and an interpretable Gaussian-basis decoder. The encoder learns to summarize panels of imbalanced and correlated data even when only a handful of points are observed. The neural ODE then integrates this hidden state forward in continuous time, extrapolating to future unseen epochs. This extrapolated time series is further encoded by deep sets to a latent distribution that is decoded to a weighted sum of Gaussian basis functions, the parameters of which are physically meaningful. Such parameters (e.g., rise time, decay rate, peak flux) directly drive downstream prioritization of spectroscopic follow-up for astrophysical surveys. Beyond astronomy, the architecture of SELDON offers a generic recipe for interpretable and continuous-time sequence modeling in any time domain where data are multivariate, sparse, heteroscedastic, and irregularly spaced.
A Multi-Objective Optimization Framework for Adaptive Weighting in Physics-Informed Machine Learning
PDF ↗Training physics-informed neural networks (PINNs) can be viewed as a multi-task optimization problem, where data-driven and physics-driven loss functions must be simultaneously minimized, despite the potential competition between them. Manually tuning the weight coefficients for various loss terms in PINNs is often time-consuming and lacks a systematic approach. To address this challenge, this work proposes an adaptive loss balancing framework for PINNs, using multi-objective optimization (MOO) algorithms to dynamically balance competing loss terms during training. Specifically, the Non-dominated Sorting Genetic Algorithm II (NSGA-II) is integrated into the PINN training process to explore the Pareto front of the multiple objectives. A novel variance-aware relative improvement (VARI) weighting method is proposed to translate Pareto-optimal information into adaptive loss weights. The proposed MOO-VARI method is validated through several examples, where the results show that the MOO-VARI PINN consistently outperforms standard PINN and other state-of-the-art adaptive weighting strategies in terms of convergence speed, predictive accuracy, and parameter estimation performance.
Decoupled Spatiotemporal Forecasting from Extreme Sparse Observations via Quantized Latent Space
PDF ↗Predicting spatiotemporal fields governed by partial differential equations (PDEs) from sparse sensor data is a critical and long-standing challenge in science and engineering. Recent deep learning approaches, particularly neural operators, have shown considerable promise in solving PDEs. However, their performance degrades significantly in the demanding regime of extreme sparsity, characterized by spatial sensor coverage of less than 1% and limited temporal observations. To overcome this limitation, we propose a novel framework that decouples the task into two stages: spatial reconstruction and temporal extrapolation. In the first stage, rather than reconstructing the high-dimensional physical field directly, our model learns to reconstruct the complete latent features from sparse observations—features that would otherwise be extracted from a dense field. This process is stabilized by a Vector Quantization (VQ) bottleneck, which discretizes the latent space. In the second stage, a decoder-only Transformer performs temporal extrapolation by autoregressively predicting the future sequence of these discrete latent indices. This design inherently allows the model to generalize to new initial conditions and varying forecast horizons, akin to standard autoregressive models. We validate our framework on three challenging benchmarks, achieving state-of-the-art (SOTA) performance under severe sparsity constraints. Furthermore, we introduce a challenging benchmark dataset based on fire dynamics simulations. On this benchmark, our model successfully forecasts the field's evolution 30 frames into the future from a single timeframe with less than 0.1% spatial observations—a result that pushes well beyond the capabilities of existing methods.
Multiphase flow simulation is critical in science and engineering but incurs high computational costs due to complex field discontinuities and the need for high-resolution numerical meshes. While Neural Operators (NOs) offer an efficient alternative for solving Partial Differential Equations (PDEs), they struggle with two core challenges unique to multiphase systems: spectral bias caused by spatial heterogeneity at phase interfaces, and the persistent scarcity of expensive, high-resolution field data. This work introduces the Interface Information Aware Neural Operator (IANO), a novel architecture that mitigates these issues by leveraging readily obtainable interface data (e.g., topology and position). Interface data inherently contains the high-frequency features not only necessary to complement the physical field data, but also help with spectral bias. IANO incorporates an interface-aware function encoding mechanism to capture dynamic coupling, and a geometry-aware positional encoding method to enhance spatial fidelity for pointwise super-resolution. Empirical results across multiple multiphase flow cases demonstrate that IANO achieves significant accuracy improvements (up to ~10%) over existing NO baselines. Furthermore, IANO exhibits superior generalization capabilities in low-data and noisy settings, confirming its utility for practical, data-efficient AI-based multiphase flow simulations.
Reinforcement learning (RL) has achieved promising results in continuous control tasks, where efficient exploration of the state space is crucial for success. However, many recent RL approaches still struggle with sample inefficiency and insufficient exploration for long-horizon tasks, particularly in environments characterized by high-dimensional and complex state spaces. To address these challenges, we propose a novel exploration framework, Latent State Predictive Exploration (LSPE). The core idea behind LSPE is to endow the agent with a form of ``foresight" to enhance exploration in long-horizon settings. Specifically, LSPE employs a state encoder to learn compact latent representations from high-dimensional visual observations, effectively filtering out irrelevant or noisy information. To further enrich and stabilize these representations, we incorporate a diffusion-based self-predictive module that enforces temporal consistency by predicting future states, thereby improving both exploration and downstream predictive control. Additionally, we introduce an Exploration Reward Function (ERF) that explicitly encourages the agent to visit novel latent states. This reward signal promotes more efficient and scalable exploration in complex environments. We evaluate LSPE across a diverse set of challenging long-horizon navigation and manipulation tasks, spanning simulation environments such as Habitat and Robosuite, as well as deployment on a real robot in a **physical indoor environment**. Experimental results show that LSPE substantially enhances exploration efficiency and scales effectively to complex, high-dimensional tasks.
Tensor network structure search (TN-SS) aims to automatically discover optimal network topologies and rank configurations for efficient tensor decomposition in high-dimensional data representation. Despite recent advances, existing TN-SS methods face significant limitations in computational tractability, structure adaptivity, and optimization robustness across diverse tensor characteristics. They struggle with three key challenges: single-scale optimization missing multi-scale structures, discrete search spaces hindering smooth structure evolution, and separated structure-parameter optimization causing computational inefficiency. We propose RGTN (Renormalization Group guided Tensor Network search), a physics-inspired framework transforming TN-SS via multi-scale renormalization group flows. Unlike fixed-scale discrete search methods, RGTN uses dynamic scale-transformation for continuous structure evolution across resolutions. Its core innovation includes learnable edge gates for optimization-stage topology modification and intelligent proposals based on physical quantities like node tension measuring local stress, and edge information flow quantifying connectivity importance. Starting from low-complexity coarse scales and refining to finer ones, RGTN finds compact structures while escaping local minima via scale-induced perturbations. Extensive experiments on light field data, high-order synthetic tensors, and video completion tasks show RGTN achieves state-of-the-art compression ratios and runs 4-600 times faster than existing methods, validating the effectiveness of our physics-inspired approach.
Tabular data is the most abundant data type in the world, powering systems in finance, healthcare, e‑commerce, and beyond. As tabular datasets grow and span multiple related targets, there is an increasing need to exploit shared task information for improved multitask generalization. Multitask learning (MTL) has emerged as a powerful way to improve generalization and efficiency, yet most existing work focuses narrowly on large‑scale recommendation systems, leaving its potential in broader tabular domains largely underexplored. Also, existing MTL approaches for tabular data predominantly rely on multi-layer perceptron-based backbones, which struggle to capture complex feature interactions and often fail to scale when data is abundant, a limitation that transformer architectures have overcome in other domains. Motivated by this, we introduce MultiTab-Net, the first multitask transformer architecture specifically designed for large tabular data. MultiTab-Net employs a novel multitask masked‑attention mechanism that dynamically models feature–feature dependencies while mitigating task competition. Through extensive experiments, we show that MultiTab-Net consistently achieves higher multitask gain than existing MTL architectures and single‑task transformers across diverse domains including large‑scale recommendation data, census‑like socioeconomic data, and physics datasets, spanning a wide range of task counts, task types, and feature modalities. In addition, we contribute MultiTab-Bench, a generalized multitask synthetic dataset generator that enables systematic evaluation of multitask dynamics by tuning task count, task correlations, and relative task complexity.
Accurate and efficient modeling of soft-tissue interactions is fundamental for advancing surgical simulation, surgical robotics, and model-based surgical automation. To achieve real-time latency, classical Finite Element Method (FEM) solvers are often replaced with neural approximations; however, naively training such models in a fully data-driven manner without incorporating physical priors frequently leads to poor generalization and physically implausible predictions. We present a novel physics-informed neural simulation framework that enables real-time prediction of soft-tissue deformations under complex single- and multi-grasper interactions. Our approach integrates Kelvinlet-based analytical priors with large-scale FEM data, capturing both linear and nonlinear tissue responses. This hybrid design improves predictive accuracy and physical plausibility across diverse neural architectures while maintaining the low-latency performance required for interactive applications. We validate our method on challenging surgical manipulation tasks involving standard laparoscopic grasping tools, demonstrating substantial improvements in deformation fidelity and temporal stability over existing baselines. These results establish Kelvinlet-augmented learning as a principled and computationally efficient paradigm for real-time, physics-aware soft-tissue simulation in surgical AI.