Graph neural networks (GNN) have emerged as a promising machine learning method for microstructure simulations such as grain growth. However, accurate modeling of realistic grain boundary networks requires large simulation cells, which GNN has difficulty scaling up to. To alleviate the computational costs and memory footprint of GNN, we propose a hybrid architecture combining a convolutional neural network (CNN) based bijective autoencoder to compress the spatial dimensions, and a GNN that evolves the microstructure in the latent space of reduced spatial sizes. Our results demonstrate that the new design significantly reduces computational costs with using fewer message passing layer (from 12 down to 3) compared with GNN alone. The reduction in computational cost becomes more pronounced as the spatial size increases, indicating strong computational scalability. For the largest mesh evaluated (160^3), our method reduces memory usage and runtime in inference by 117x and 115x, respectively, compared with GNN-only baseline. More importantly, it shows higher accuracy and stronger spatiotemporal capability than the GNN-only baseline, especially in long-term testing. Such combination of scalability and accuracy is essential for simulating realistic material microstructures over extended time scales. The improvements can be attributed to the bijective autoencoder's ability to compress information losslessly from spatial domain into a high dimensional feature space, thereby producing more expressive latent features for the GNN to learn from, while also contributing its own spatiotemporal modeling capability. The training was optimized to learn from the stochastic Potts Monte Carlo method. Our findings provide a highly scalable approach for simulating grain growth.

Multi-robot systems have emerged as a key technology for addressing the efficiency and cost challenges in labor-intensive industries. In the representative scenario of smart farming, planning efficient harvesting schedules for a fleet of electric robots presents a highly challenging frontier problem. The complexity arises not only from the need to find Pareto-optimal solutions for the conflicting objectives of makespan and transportation cost, but also from the necessity to simultaneously manage payload constraints and finite battery capacity. When robot loads are dynamically updated during planned multi-trip operations, a mandatory recharge triggered by energy constraints introduces an unscheduled load reset. This interaction creates a complex cascading effect that disrupts the entire schedule and renders traditional optimization methods ineffective. To address this challenge, this paper proposes the segment anchoring-based balancing algorithm (SABA). The core of SABA lies in the organic combination of two synergistic mechanisms: the sequential anchoring and balancing mechanism, which leverages charging decisions as `anchors' to systematically reconstruct disrupted routes, while the proportional splitting-based rebalancing mechanism is responsible for the fine-grained balancing and tuning of the final solutions' makespans. Extensive comparative experiments, conducted on a real-world case study and a suite of benchmark instances, demonstrate that SABA comprehensively outperforms 6 state-of-the-art algorithms in terms of both solution convergence and diversity. This research provides a novel theoretical perspective and an effective solution for the multi-robot task allocation problem under energy constraints.

Despite great success having been achieved, the inherent sparsity of point clouds introduces a dual-redundancy challenge that limits existing trackers: (1) vast spatial redundancy from background noise impairs accuracy, and (2) informational redundancy within the foreground hinders efficiency. To tackle these issues, we propose CompTrack, an novel end-to-end framework that systematically eliminates both forms of redundancy in point clouds. First, CompTrack incorporates a Spatial F oreground Predictor (SFP) module to filter out irrelevant background noise based on information entropy, addressing spatial redundancy. Subsequently, its core is an Information Bottleneck-guided Dynamic T oken Compression (IB-DTC) module that eliminates the informational redundancy within the foreground. Theoretically grounded in low-rank approximation, this module leverages an online SVD analysis to adaptively compress the redundant foreground into a compact and highly informative set of proxy tokens.Extensive experiments on KITTI, nuScenes and Waymo datasets demonstrate that CompTrack achieves top-performing tracking performance with superior efficiency, running at a real-time 90 FPS on a single RTX 3090 GPU.

The processes of classification and segmentation utilizing artificial intelligence play a vital role in the automation of disaster assessments. However, contemporary VLMs produce details that are inadequately aligned with the objectives of disaster assessment, primarily due to their deficiency in domain knowledge and the absence of a more refined descriptive process. This research presents the Vision Language Caption Enhancer (VLCE), a dedicated multimodal framework aimed at integrating external semantic knowledge from ConceptNet and WordNet to improve the captioning process. The objective is to produce disaster-specific descriptions that effectively convert raw visual data into actionable intelligence. VLCE utilizes two separate architectures: a CNN-LSTM model that incorporates a ResNet50 backbone, pretrained on EuroSat for satellite imagery (xBD dataset), and a Vision Transformer developed for UAV imagery (RescueNet dataset). In various architectural frameworks and datasets, VLCE exhibits a consistent advantage over baseline models such as LLaVA and QwenVL. Our optimal configuration reaches an impressive 95.33\% on InfoMetIC for UAV imagery while also demonstrating strong performance across satellite imagery. The proposed framework signifies a significant transition from basic visual classification to the generation of comprehensive situational intelligence, demonstrating immediate applicability for implementation in real-time disaster assessment systems.

Generative modeling of high-energy collisions at the Large Hadron Collider (LHC) offers a data-driven route to simulations, anomaly detection, among other applications. A central challenge lies in the hybrid nature of particle-cloud data: each particle carries continuous kinematic features and discrete quantum numbers such as charge and flavor. We introduce a transformer-based multimodal flow that extends flow-matching with a continuous-time Markov jump bridge to jointly model LHC jets with both modalities. Trained on CMS Open Data, our model can generate high fidelity jets with realistic kinematics, jet substructure and flavor composition.

Timely and accurate forecasts of severe weather events are essential for early warning and for constraining downstream analysis and decision-making. Since severe weather events prediction still depends on subjective, time-consuming expert interpretation, end-to-end "AI weather station" systems are emerging but face three major challenges: (1) scarcity of severe weather event samples; (2) imperfect alignment between high-dimensional meteorological data and textual warnings; (3) current multimodal language models cannot effectively process high-dimensional meteorological inputs or capture their complex spatiotemporal dependencies. T o address these challenges, we introduce MP-Bench, the first large-scale multimodal dataset for severe weather events prediction, comprising 421,363 pairs of raw multi-year meteorological data and corresponding text caption, covering a wide range of severe weather scenarios. On top of this dataset, we develop a Meteorology Multimodal Large Model (MMLM) that directly ingests 4D meteorological inputs. In addition, it is designed to accommodate the unique characteristics of 4D meteorological data flow, incorporating three plug-and-play adaptive fusion modules that enable dynamic feature extraction and integration across temporal sequences, vertical pressure layers, and spatial dimensions. Extensive experiments on MP-Bench show that MMLM achieves strong performance across multiple tasks, demonstrating effective severe weather understanding and representing a key step toward automated, AI-driven severe weather events forecasting systems. Our source code and dataset will be made publicly available.

Hydrogen atom transfer (HAT) reactions are essential in many biological processes, such as radical migration in damaged proteins, but their mechanistic pathways remain incompletely understood. Simulating HAT is challenging due to the need for quantum chemical accuracy at biologically relevant scales; thus, neither classical force fields nor DFT-based molecular dynamics are applicable. Machine-learned potentials offer an alternative, able to learn potential energy surfaces (PESs) with near-quantum accuracy. However, training these models to generalize across diverse HAT configurations, especially at radical positions in proteins, requires tailored data generation and careful model selection. Here, we systematically generate HAT configurations in peptides to build large datasets using semiempirical methods and DFT. We benchmark three graph neural network architectures (SchNet, Allegro, and MACE) on their ability to learn HAT PESs and indirectly predict reaction barriers from energy predictions. MACE consistently outperforms the others in energy, force, and barrier prediction, achieving a mean absolute error of 1.13 kcal/mol on out-of-distribution DFT barrier predictions. Using molecular dynamics, we show our MACE potential is stable, reactive, and generalizes beyond training data to model HAT barriers in collagen I. This accuracy enables integration of ML potentials into large-scale collagen simulations to compute reaction rates from predicted barriers, advancing mechanistic understanding of HAT and radical migration in peptides. We analyze scaling laws, model transferability, and cost-performance trade-offs, and outline strategies for improvement by combining ML potentials with transition state search algorithms and active learning. Our approach is generalizable to other biomolecular systems, enabling quantum-accurate simulations of chemical reactivity in complex environments.

Abstract--Time series forecasting requires architectures that simultaneously achieve three competing objectives: (1) strict temporal causality for reliable predictions, (2) sub-quadratic complexity for practical scalability, and (3) multi-scale pattern recognition for accurate long-horizon forecasting. We introduce AutoHFormer, a hierarchical autoregressive transformer that addresses these challenges through three key innovations: 1) Hierarchical Temporal Modeling: Our architecture decomposes predictions into segment-level blocks processed in parallel, followed by intra-segment sequential refinement. This dual-scale approach maintains temporal coherence while enabling efficient computation. This design avoids both the anti-causal violations of standard transformers and the sequential bottlenecks of RNN hybrids. It combines fixed oscillating patterns for short-term variations with learnable decay rates for long-term trends. Comprehensive experiments demonstrate that AutoHFormer 10.76 faster training and 6.06 memory reduction compared to PatchTST on PEMS08, while maintaining consistent accuracy across 96-720 step horizons in most of cases. These breakthroughs establish new benchmarks for efficient and precise time series modeling. I. Introduction Time series forecasting [1, 2, 3, 4, 5] stands as a fundamental pillar of modern predictive analytics, enabling data-driven decision making across numerous mission-critical domains. As demonstrated in recent literature [6, 7], this task has become increasingly vital in our data-rich era.

Efficient LLM pre-training requires well-tuned hyperparameters (HPs), including learning rate $η$ and weight decay $λ$. We study scaling laws for HPs: formulas for how to scale HPs as we scale model size N, dataset size D, and batch size B. Recent work suggests the AdamW timescale, $τ= B/(ηλD)$, should remain constant across training settings, and we verify the implication that optimal $λ$ scales linearly with B, for a fixed N and D. However, as N and D scale, we show optimal $τ$ obeys a precise power law in the tokens-per-parameter ratio, D/N. This law thus provides a method to accurately predict $λ$opt in advance of large-scale training. We also study scaling laws for optimal batch size Bopt (the B enabling lowest loss at a given N,D) and critical batch size Bcrit (the B beyond which further data parallelism becomes ineffective). In contrast to prior work, we find both Bopt and Bcrit scale as power laws in D, independent of model size, N. Finally, we analyze how these findings inform the real-world selection of Pareto-optimal N and D under dual training time and compute objectives. All experiments were run on Cerebras CS-3 systems.

Figure 1: We train a highly generalizable navigation policy that can control robots in a variety of conditions and be deployed zero-shot in new environments across the world. Our proposed method, Model-Based ReAnnotation, enables imitation learning from noisy, passive data, such as low-quality crowd-sourced demonstrations or even videos from the web. Abstract--Developing broadly generalizable visual navigation policies for robots is a significant challenge, primarily constrained by the availability of large-scale, diverse training data. While curated datasets collected by researchers offer high quality, their limited size restricts policy generalization. T o overcome this, we explore leveraging abundant, passively collected data sources, including large volumes of crowd-sourced teleoperation data and unlabeled Y ouT ube videos, despite their potential for lower quality or missing action labels. We propose Model-Based ReAnnotation (MBRA), a framework that utilizes a learned short-horizon, model-based expert model to relabel or generate high-quality actions for these passive datasets. This relabeled data is then distilled into LogoNav, a long-horizon navigation policy conditioned on visual goals or GPS waypoints. We demonstrate that LogoNav, trained using MBRA-processed data, achieves state-of-the-art performance, enabling robust navigation over distances exceeding 300 meters in previously unseen indoor and outdoor environments.