arXiv subjects

Jianmin Wang

Publications and source records attributed to Jianmin Wang.

At least 19 recordsLinked to original sources

arXiv2026

Pneuma: A Large-Scale Real-World Time Series Benchmark for Commercial Aircraft Predictive Maintenance

Predictive maintenance is vital for commercial aviation, yet progress remains hindered by the lack of public, large-scale real-world datasets. As a result, most methods are developed and evaluated on proprietary data, limiting reproducibility. We introduce Pneuma, the first publicly available large-scale benchmark for predictive maintenance using onboard time series from in-service commercial aircraft. Built around bleed air systems, Pneuma contains over 920 million multivariate time steps across four aircraft types and 9 verified fault scenarios, directly aligned with real maintenance logs. The dataset exhibits key real-world challenges, including substantial class imbalance, subtle fault evolution patterns, and significant variance across aircraft configurations. We structure the benchmark around three tasks: multivariate forecasting, supervised fault classification, and unsupervised anomaly detection, with labels derived from actual maintenance records. Under unified settings, we evaluate over 25 models from four methodological families on 9 carefully curated subsets. The results reveal that even strong contemporary models struggle with subtle fault signatures. Further analyses show consistent gains from additional in-context examples and multivariate inference, while forecasting quality is strongly associated with anomaly detection performance. Together, these findings provide practical insights into effectively modeling complex real-world aviation time series. We hope Pneuma will serve as a rigorous and reproducible foundation for advancing data-driven predictive maintenance toward real-world deployment in commercial aviation.

cs.LG↗

arXiv2026

Beyond Static Leaderboards: Capability-Focused Evaluation with Structural Diversity for Time Series Foundation Models

Static public benchmarks for time series foundation models (TSFMs) typically have fixed and narrow test distributions. Their repeated reuse encourages benchmark-specific tuning, making reported performance reflect adaptation to the fixed test set rather than genuine forecasting generalization. In addition, a single aggregate score cannot fully characterize model capabilities across distinct temporal structures and input relationships. We propose CaFE (Capability-Focused Evaluation), a refreshable evaluation extension grounded in original benchmark data that enriches static benchmarks with structural diversity and enriches single-score black-box evaluation with multi-dimensional, capability-oriented assessment. CaFE first profiles the original benchmark and defines eight Structural Features (SFs) that characterize its temporal structure. For each SF, it resamples the original data according to its structural support, removes edge-of-distribution samples, and augments the retained samples by varying the SF's salience, producing samples with different structural profiles. After filtering out out-of-distribution samples while preserving diversity, CaFE yields a refreshed evaluation set. TSFMs are then evaluated on this set using both conventional forecast-error metrics and intervention-response metrics, giving each model a per-feature capability profile alongside endpoint accuracy. Experiments on GIFT-Eval and FEV-Mini20 show that CaFE yields stable evaluation results and reveals per-feature strengths and weaknesses that a single aggregate score hides. Moreover, on genuine data filtered by structural condition, models selected by CaFE outperform those chosen by the aggregate leaderboard. CaFE therefore makes model selection conditional on the structural response of interest.

cs.AI↗

arXiv2026

Timer-M1: A Multivariate Time Series Foundation Model via Learning Primitives

We introduce Timer-M1, a pretrained multivariate time series foundation model that learns with primitives for zero-shot forecasting. Across domains, time series share elementary temporal and relational patterns, termed primitives, yet differ in how these primitives manifest and evolve across different contexts. Despite progress in zero-shot and task-general forecasting, existing foundation models may still struggle to generalize to complex real-world scenarios. To this end, we develop a primitive-based data synthesis and pretraining pipeline. The synthesis pipeline generates series with temporal primitives shared across domains and then assembles real and generated series into multivariate samples using relational primitives. Afterwards, samples are organized into episodes by assigning distinct channel roles as target variates, past-only covariates, and known-future covariates, ensuring that the model is optimized on predictable variates using available exogenous information. Technically, Timer-M1 further adapts gated two-dimensional Transformer blocks that dynamically allocate cross-variate attention across layers. Across three large-scale forecasting benchmarks, Timer-M1 ranks first on both FEV and TIME and second on GIFT-Eval among most recent time series foundation models. These results support effective primitive-based pretraining as a route to robust general forecasting technique across domains and task settings.

cs.LG↗

arXiv2026

DiTS: Multimodal Diffusion Transformers Are Time Series Forecasters

While generative modeling facilitates probabilistic time series forecasting, incorporating heterogeneous exogenous information remains challenging. Diffusion Transformers (DiT) provide a scalable framework for conditional generation, yet their adaptation to forecasting calls for conditioning mechanisms tailored to time series. Endogenous targets and exogenous covariates differ in sources, semantics, and statistical characteristics, while sharing temporal coordinates that support fine-grained conditional guidance. Covariates can describe future variability and temporal dependence beyond the conditional mean targeted by direct regression. Motivated by these considerations, we propose Diffusion Transformers for Time Series (DiTS), a Multimodal Diffusion Transformer for covariate-aware forecasting. DiTS models endogenous targets and exogenous covariates as distinct modalities, jointly conditioning future generation on target history and available covariates. Flow matching makes covariate-dependent distributional information relevant to velocity prediction conditioned on noisy future states. We introduce Time-aligned Modulation, extending AdaLN with the temporal-alignment prior to generate patch-wise modulation parameters from aligned covariates and diffusion time. Across diverse covariate-aware forecasting tasks, DiTS achieves strong performance in both deterministic and probabilistic forecasting, demonstrating the effectiveness of conditional generation for both point and distributional forecasting.

cs.LG↗

arXiv2026

Higher-Order Molecular Grammars for Generative and Foundation Models in Chemistry

Molecular learning models are strongly shaped by their underlying representations. Yet standard sequential and graph formalisms struggle to explicitly encode higher-order topology, such as ring systems and recurring motifs. Existing higher-order representations can capture these structures directly, but they are often computationally demanding and difficult to decode into valid molecules. Here, we introduce Higher-order Grammar Representation (HGR), a principled, topology-aware framework that lifts molecules to combinatorial complexes and parses each complex into a compact sequence of production rules under a context-free higher-order grammar. By serialising higher-order topology into rule sequences, HGR makes these structures directly compatible with standard sequence models, avoiding the computational overhead of explicit higher-order encodings while preserving topological expressiveness. To reduce benchmark bias towards simple ring systems, we construct RingDiv, a ring-enriched benchmark containing 1.18 million molecules, including the curated RingDiv300k subset, and introduce the ring diversity index (RDI) to quantify ring-system coverage. In molecular generation, HGR-based models uniquely combine 100% validity by construction with leading distributional alignment, ranking first in FCD on all five generation benchmarks. In representation learning, HGR-FM achieves the highest mean AUC across seven MoleculeNet benchmarks under both transfer protocols, improving on the strongest baseline by 8.3 and 3.3 AUC points under probing and full fine-tuning, respectively. Collectively, these results establish HGR as an efficient higher-order representation for molecular generation and transferable representation learning.

cs.LG↗

arXiv2026

NowcastDiT: Diffusion Transformers are Effective Precipitation Nowcasters

Precipitation nowcasting demands accurate short-term forecasts under strong spatiotemporal variability. Diffusion models are well suited to modeling complex precipitation distributions, yet existing approaches often introduce increasingly specialized designs, leaving the capability of a standard diffusion architecture underexplored. We show that a standard Diffusion Transformer already provides a simple and scalable foundation for precipitation nowcasting, with domain-specific requirements accommodated naturally within its design space. Based on this principle, we develop NowcastDiT and instantiate this flexibility through two complementary adaptations: a dynamics-aware noise prior for temporally coherent forecasts, and end-to-end reinforcement learning with timestep-aware rewards for meteorological skill. Experiments on SEVIR and MRMS benchmarks show that NowcastDiT achieves state-of-the-art performance in both perceptual quality and meteorological skill. These results suggest that standard DiT can serve as an effective foundation for precipitation nowcasting.

cs.LG↗

arXiv2026

Loss-Guided Pretraining Data Selection for Time-Series Foundation Models

Time series foundation models (TSFMs) are pretrained on heterogeneous collections containing billions of observations, yet their training windows are typically sampled without estimating whether they provide useful learning signal. We introduce a static data-selection framework that scores each window with a reference forecaster and retains an intermediate interval within every source dataset. Specifically, we connect forecasting loss to optimization difficulty by showing that normalized squared loss controls the per-sample gradient norm under a local Jacobian condition. We then define a reference loss score and apply dataset-stratified selection to preserve the diversity of samples. Across various TSFM architectures, our method outperforms random selection by an absolute margin and even improves both relative MASE and CRPS over full-data pretraining by retaining fewer candidate pretraining windows. Further analyses show strong cross-scale and cross-architecture score correlations, indicating that a small reference model can often select data for larger targets, provided that the reference and target share compatible difficulty orderings.

cs.LG↗

arXiv2026

Transolver-$σ$: Joint Spectral-Physical Subspace Modeling for Neural PDE Solving

Neural solvers offer efficient surrogates for numerical simulation of partial differential equations (PDEs). For time-dependent problems, strong one-step accuracy does not necessarily translate into reliable autoregressive rollout. We observe that a solver based only on physical-state modeling can achieve lower one-step error, whereas its spectral-only counterpart can become more accurate at later rollout steps. Motivated by this observation, we present Transolver-$σ$, a neural PDE solver based on joint spectral--physical subspace modeling. Within each block, adaptive physical-state interactions and spectral transformations are modeled in dedicated latent subspaces, whose responses are recomposed to enable information exchange between the two representations. Within the physical subspace, we introduce Slice-Residual Physics-Attention (SRPA), which preserves an explicit slice-space identity path while retaining learnable cross-slice interaction. In parallel, an axis-factorized Fourier operator captures global spectral structure. Across five well-established PDE benchmarks spanning steady-state prediction and time-dependent dynamics, Transolver-$σ$ achieves state-of-the-art with a benchmark-averaged relative error reduction of 33.4% over the strongest baseline for each metric, while consistently improving autoregressive rollout over single-operator counterparts. Transolver-$σ$ further delivers strong gains on coupled multiphysics systems and real-world fluid and combustion measurements from RealPDEBench, demonstrating its effectiveness beyond standard simulation benchmarks.

cs.AI↗

arXiv2026

PhysFieldBench: Can Multimodal Models Understand Physical Fields?

Multimodal large language models (MLLMs) are increasingly envisioned as core components of scientific and engineering agents, yet their ability to interpret physical fields remains poorly understood. Existing physics benchmarks largely emphasize textbook problem solving or intuitive physical reasoning, leaving open whether MLLMs can infer physically meaningful information from continuous field observations. We introduce PhysFieldBench, a benchmark comprising 24 tasks and 1,160 evaluation examples across controlled equation fields, simulated physical fields, and observed physical fields. The tasks assess three forms of inference: identifying physical mechanisms, comparing latent control variables, and predicting outcome properties. Across representative open-source and proprietary MLLMs, zero-shot performance is low: the best model achieves a chance-normalized score of 29.3, while several open-source models remain near chance. In contrast, a task-specific supervised vision transformer performs substantially better, demonstrating that the inputs contain learnable physical information. To diagnose these failures, a structured self-explanation analysis attributes most errors to missed visual patterns and incorrect visual-to-physical mappings. Further, to explore whether post-training can improve physical inference and generalize to unseen tasks, we compare supervised fine-tuning with final answers or chain-of-thought supervision and reinforcement learning. Final-answer supervision performs best overall but transfers less effectively, whereas reinforcement learning after chain-of-thought supervision achieves the best generalization. Together, these findings highlight the need to improve visual-to-physical grounding and cross-task generalization for MLLMs to reliably interpret physical fields in scientific and engineering workflows.

cs.AI↗

arXiv2026

Atom-light hybrid interferometer for atomic sensing with quantum memory

Quantum memories feature a reversible conversion of optical fields into long-lived atomic spin waves, and are therefore ideal for operating as sensitive atomic sensors. However, up to now, atom-light interferometers have lacked an efficient approach to exploit their ultimate atomic sensing performance, since an extra optical delay line is required to compensate for the memory time. Here, we report a new protocol that records the photocurrent via heterodyne mixing with a stable local oscillator. The obtained complex quadrature amplitude that carries information imprinted on its phase by an external magnetic field, is successfully recovered from the interference patterns between the light and the atomic spin wave, without the stringent requirement of having them overlap in time. Our results reveal that the sensitivity scales favorably with the lifetime of the quantum memory. Our work may have important applications in building distributed quantum networks through quantum memory-assisted atom-light interferometers.

quant-ph↗

arXiv2026

ADMET-EvO: a self-evolving scientific agent for sustained research across heterogeneous tasks

Scientific agents can move beyond automated model building by using accumulated evidence to revise both their questions and experimental strategies. The challenge is sustaining this adaptation across heterogeneous tasks without overfitting decisions to internal validation. Absorption, distribution, metabolism, excretion and toxicity (ADMET) prediction provides a demanding setting across diverse assays, datasets and chemical domains. We therefore developed ADMET-EvO, an evidence-gated agent that formalizes endpoints, generates falsifiable hypotheses and tests interventions across data, feature and model axes. It carries supported, rejected and inconclusive outcomes forward to guide each new cycle. Across the 22-task Therapeutics Data Commons (TDC) ADMET benchmark, ADMET-EvO achieved the highest task-normalized score of 96.77. Evidence-guided selection reduced cumulative fitting time by 72.2% within a predefined non-inferiority margin. It also formalized 43 toxicity-related tasks and constructed endpoint-specific predictors. Together, these results show how ADMET-EvO can accumulate evidence, revise its strategy and expand its research scope over time.

q-bio.QM↗

arXiv2026

FTU-Seek: Foundation Model-Guided Hard-Negative Learning for Sparse Functional Tissue Unit Segmentation

Functional tissue units (FTUs), including tertiary lymphoid structures (TLSs), blood vessels, and glands, encode localized immune, vascular, and epithelial organization in histopathology. Accurate quantification of these structures is important for studying tissue architecture and disease-associated tissue organization. However, FTUs are frequently sparse, heterogeneous, and surrounded by large amounts of morphologically similar background tissue, making automated segmentation in whole-slide images (WSIs) challenging. We therefore developed FTU-Seek, a pathology foundation model-guided framework that treats morphology-aware negative-patch selection as a key component of sparse FTU segmentation. FTU-Seek uses frozen multi-depth features from the UNI pathology foundation model to train a patch-level classifier that distinguishes FTU-containing from FTU-absent tissue. Target-absent patches are subsequently ranked according to their predicted target-containing probabilities, and the highest-scoring hard negatives are selected through a static Top$K$ strategy to construct compact segmentation training sets. The framework was evaluated using five-fold cross-validation and internal test cohorts across TLS, blood-vessel, and gland segmentation tasks, with an additional independent 30-WSI held-out cohort for TLS. Positive-only, all-tissue, random-negative, and matched random Top$K$ sampling strategies served as comparators. Segmentation-derived phenotypes were further explored in external TCGA cohorts.

cs.CV↗

arXiv2026

Scalable High-Fidelity Macromolecular Docking for GPU-Accelerated Supercomputers

Flexible macromolecular docking offers high-fidelity predictions of biomolecular interactions, but remains prohibitively expensive at scale. Among existing approaches, LightDock leverages Glowworm Swarm Optimization (GSO) for accuracy, yet suffers from limited parallelism, irregular computation, and severe load imbalance, preventing efficient execution on GPU supercomputers. We present SparkleDock, a scalable GSO-based docking framework enabling near-real-time flexible docking. We redesign GSO to expose massive fine-grained parallelism at the glowworm-agent level, and restructure the dominant energy scoring computation into a Tensor Core-compatible formulation, enabling efficient execution of irregular pairwise interactions through structured matrix operations. We further introduce a performance-model-driven scheduling for load balancing and out-of-core scaling across GPUs. SparkleDock achieves 9.7 $\times$ and 18.9 $\times$ speedups over LightDock on single A100 and H100 GPU, and delivers over two orders of magnitude acceleration at scale. On 512 GPUs, it reduces docking time from hours to seconds, enabling large-scale, high-fidelity virtual screening previously impractical with flexible docking.

cs.DC↗

arXiv2026

TiMi: Empower Time Series Transformers with Multimodal Mixture of Experts

Multimodal time series forecasting has garnered significant attention for its potential to provide more accurate predictions than traditional single-modality models by leveraging rich information inherent in other modalities. However, due to fundamental challenges in modality alignment, existing methods often struggle to effectively incorporate multimodal data into predictions, particularly textual information that has a causal influence on time series fluctuations, such as emergency reports and policy announcements. In this paper, we reflect on the role of textual information in numerical forecasting and propose Time series transformers with Multimodal Mixture-of-Experts, TiMi, to unleash the causal reasoning capabilities of LLMs. Concretely, TiMi utilizes LLMs to generate inferences on future developments, which serve as guidance for time series forecasting. To seamlessly integrate both exogenous factors and time series into predictions, we introduce a Multimodal Mixture-of-Experts (MMoE) module as a lightweight plug-in to empower Transformer-based time series models for multimodal forecasting, eliminating the need for explicit representation-level alignment. Experimentally, our proposed TiMi demonstrates consistent state-of-the-art performance on sixteen real-world multimodal forecasting benchmarks, outperforming advanced baselines while offering both strong adaptability and interpretability.

cs.LG↗

arXiv2026

ProPINN: Demystifying Propagation Failures in Physics-Informed Neural Networks

Physics-informed neural networks (PINNs) have earned high expectations in solving partial differential equations (PDEs), but their optimization usually faces thorny challenges due to the unique derivative-dependent loss function. By analyzing the loss distribution, previous research observed the propagation failure phenomenon of PINNs, intuitively described as the correct supervision for model outputs cannot ''propagate'' from initial states or boundaries to the interior domain. Going beyond intuitive understanding, this paper provides a formal and in-depth study of propagation failure and its root cause. Based on a detailed comparison with classical finite element methods, we ascribe the failure to the conventional single-point-processing architecture of PINNs and further prove that propagation failure is essentially caused by the lower gradient correlation of PINN models on nearby collocation points. Compared to superficial loss maps, this new perspective provides a more precise quantitative criterion to identify where and why PINN fails. The theoretical finding also inspires us to present a new PINN architecture, named ProPINN, which can effectively unite the gradients of region points for better propagation. ProPINN can reliably resolve PINN failure modes and significantly surpass advanced Transformer-based models with 46% relative promotion.

cs.LG↗

arXiv2026

High-accuracy pointing and sub-second acquisition in a space optical communication terminal with ground-based verification method

This paper presents and implements a novel space optical communication terminal achieving high-precision open-loop pointing and sub-second acquisition. We further introduce a simple and accurate ground-based performance test method that enables end-to-end verification without the need for in-orbit experiments. To accurately measure open-loop pointing accuracy and acquisition characteristics, we formulate a comprehensive mathematical error model--covering structural misalignments, installation tolerances, and environmental effects--and estimate calibration parameters from stellar observations via a least-squares solution. Field experiments show a greater than 94% improvement in open-loop pointing accuracy, reducing the mean error from 2070.24 urad to 120.16 urad, and confirm an average acquisition time of 0.908 s with all trials completed in under 1 s. The method is generalizable to large-range, high-precision optical pointing measurements and astronomical observations.

physics.optics↗

arXiv2026

Transolver-3: Scaling Up Transformer Solvers to Industrial-Scale Geometries

Deep learning has emerged as a transformative tool for the neural surrogate modeling of partial differential equations (PDEs), known as neural PDE solvers. However, scaling these solvers to industrial-scale geometries with over $10^8$ cells remains a fundamental challenge due to the prohibitive memory complexity of processing high-resolution meshes. We present Transolver-3, a new member of the Transolver family as a highly scalable framework designed for high-fidelity physics simulations. To bridge the gap between limited GPU capacity and the resolution requirements of complex engineering tasks, we introduce two key architectural optimizations: faster slice and deslice by exploiting matrix multiplication associative property and geometry slice tiling to partition the computation of physical states. Combined with an amortized training strategy by learning on random subsets of original high-resolution meshes and a physical state caching technique during inference, Transolver-3 enables high-fidelity field prediction on industrial-scale meshes. Extensive experiments demonstrate that Transolver-3 can handle meshes with over 160 million cells, achieving impressive performance across three challenging simulation benchmarks, including aircraft and automotive design tasks. Code is available at https://github.com/thuml/Transolver-3.

cs.LG↗

arXiv2026

Walking on Heat Stars for Parabolic Heat Equations with Neumann Boundary Conditions

Monte Carlo methods have proven highly effective for elliptic partial differential equations through algorithms such as Walk on Spheres and Walk on Stars, which evaluate solutions at individual points without volumetric meshing or global linear solves. Extending these methods to the transient regime has remained an open challenge: parabolic equations couple space and time through an anisotropic scaling, requiring joint sampling of spatial displacements and backward time steps whose distribution was not previously available in a unified, exact form. We present Walk on Heat Stars, a grid-free Monte Carlo solver that closes this gap by extending the boundary integral framework of Walk on Stars to the parabolic setting. Our method introduces a non-cylindrical boundary integral formulation that accommodates the time-varying domains induced by heat-ball sampling. The heat ball geometry is parameterized by a logarithmic time coordinate and a spatial direction, revealing that the double-layer kernel factorizes into independent Gamma and uniform components. This parameterization enables exact directional importance sampling of the recursive next walk position, the Neumann flux contribution, and the volumetric source term, yielding unbiased Monte Carlo estimators for all three components. We additionally derive a preliminary gradient estimator that expresses spatial derivatives as weighted boundary integrals of the solution, requiring no recursion on the gradient, and adapt a heteroscedastic regression-based denoiser to the space-time domain for variance reduction. We validate our method on analytical solutions across a range of geometries and spatial frequencies, confirm convergence at the expected Monte Carlo rate, and demonstrate practical applicability on heat sink and cooling scenes with mixed or pure Neumann boundary conditions.

cs.GR↗