arXiv subjects

Zhi-Song Liu

Publications and source records attributed to Zhi-Song Liu.

At least 19 recordsLinked to original sources

arXiv2026

Evaluation of optimisation and Bayesian inference methods for reaction rates in atmospheric chemical mechanisms

Constraining reaction rate coefficients is a central challenge in the development of explicit atmospheric chemical mechanisms, particularly for autoxidation systems where many reaction pathways are only indirectly observed through high-resolution mass spectrometry. In this study, we evaluate rate-coefficient optimisation methods for a toy-case autoxidation mechanism using synthetic data with known ground truth. Two complementary approaches are compared: ODE-constrained neural-network optimisation, which provides efficient point estimates of uncertain rate coefficients, and the Markov Chain Monte Carlo (MCMC) approach, which samples the posterior distribution of rate coefficients and quantifies parameter uncertainty. The methods are tested using direct concentration observations and mass-spectral observations under different noise levels. For unperturbed and low-noise synthetic observations, both methods converged towards the known rate coefficients, with the neural-network optimiser providing faster point estimates. Under high-noise conditions (with the signal-to-noise ratio approximately S / N = 1), however, MCMC was substantially more robust in recovering the rate coefficients. The posterior analysis shows that mass-spectral aggregation broadens credible intervals even at low noise, and that high-noise mass spectra can leave many individual reaction rates weakly identifiable. Posterior predictive validation nevertheless shows how broad parameter uncertainty constrained by MCMC remains consistent with accurate reproduction of the observable mass spectrum. These results demonstrate that point-estimation and Bayesian sampling methods provide complementary information: neural-network optimisation is effective for informative data, whereas MCMC is essential for diagnosing uncertainty, non-uniqueness, and identifiability in noisy or aggregated inverse problems.

stat.ML↗

arXiv2026

TailWeather: from tail to extremes, a global climatological dataset for machine-learning weather forecasting

Weather forecasting models commonly use the average forecast skill for short-range forecasts. However, it does not necessarily imply skill in the tails of the weather distribution. Evaluating tail events requires a consistently defined target with broad spatial and temporal coverage. Disaster catalogs record societal consequences, but are sparse and reporting-dependent; climatological tails describe unusual weather without necessarily implying harm. We present TailWeather, a global 0.25-degree, land-only dataset derived from ERA5, covering 1981-2022 and extending into January 2023. It labels heatwaves, cold waves, heavy precipitation, and extreme wind daily, and meteorological drought monthly. Each event has an ordinal severity tier and a numerical intensity score referenced to the local 1991-2020 climate. The scores support alternative thresholds within their stored resolution and valid domain. Comparison with documented disasters shows greater impact enrichment towards stricter tails, with differences among hazards and substantial gaps in catalog coverage. Forecast examples illustrate how low average errors can coexist with weak event detection, particularly for wind. TailWeather provides a reusable physical target for studying and evaluating extremes, while complementing the information in disaster catalogs.

cs.CE↗

arXiv2026

TopoFlow: Topography-aware Pollutant Flow Learning for High-Resolution Air Quality Prediction

We propose TopoFlow (Topography-aware pollutant Flow learning), a physics-guided neural network for efficient, high-resolution air quality prediction. To explicitly embed physical processes into the learning framework, we identify two critical factors governing pollutant dynamics: topography and wind direction. Complex terrain can channel, block, and trap pollutants, while wind acts as a primary driver of their transport and dispersion. Building on these insights, TopoFlow leverages a vision transformer architecture with two novel mechanisms: topography-aware attention, which explicitly models terrain-induced flow patterns, and wind-guided patch reordering, which aligns spatial representations with prevailing wind directions. Trained on six years of high-resolution reanalysis data assimilating observations from over 1,400 surface monitoring stations across China, TopoFlow achieves a PM2.5 RMSE of 9.71 ug/m3, representing a 71-80% improvement over operational forecasting systems and a 13% improvement over state-of-the-art AI baselines. Forecast errors remain well below China's 24-hour air quality threshold of 75 ug/m3 (GB 3095-2012), enabling reliable discrimination between clean and polluted conditions. These performance gains are consistent across all four major pollutants and forecast lead times from 12 to 96 hours, demonstrating that principled integration of physical knowledge into neural networks can fundamentally advance air quality prediction.

cs.LG↗

arXiv2026

Cross-Resolution Attention Network for High-Resolution PM2.5 Prediction

Vision Transformers have achieved remarkable success in spatio-temporal prediction, but their scalability remains limited for ultra-high-resolution, continent-scale domains required in real-world environmental monitoring. A single European air-quality map at 1 km resolution comprises 29 million pixels, far beyond the limits of naive self-attention. We introduce CRAN-PM, a dual-branch Vision Transformer that leverages cross-resolution attention to efficiently fuse global meteorological data (25 km) with local high-resolution PM2.5 at the current time (1 km). Instead of including physically driven factors like temperature and topography as input, we further introduce elevation-aware self-attention and wind-guided cross-attention to force the network to learn physically consistent feature representations for PM2.5 forecasting. CRAN-PM is fully trainable and memory-efficient, generating the complete 29-million-pixel European map in 1.8 seconds on a single GPU. Evaluated on daily PM2.5 forecasting throughout Europe in 2022 (362 days, 2,971 European Environment Agency (EEA) stations), it reduces RMSE by 4.7% at T+1 and 10.7% at T+3 compared to the best single-scale baseline, while reducing bias in complex terrain by 36%.

cs.CV↗

arXiv2026

Inverse Neural Operator for ODE Parameter Optimization

We propose the Inverse Neural Operator (INO), a two-stage framework for recovering hidden ODE parameters from sparse, partial observations. In Stage 1, a Conditional Fourier Neural Operator (C-FNO) with cross-attention learns a differentiable surrogate that reconstructs full ODE trajectories from arbitrary sparse inputs, suppressing high-frequency artifacts via spectral regularization. In Stage 2, an Amortized Drifting Model (ADM) learns a kernel-weighted velocity field in parameter space, transporting random parameter initializations toward the ground truth without backpropagating through the surrogate, avoiding the Jacobian instabilities that afflict gradient-based inversion in stiff regimes. Experiments on a real-world stiff atmospheric chemistry benchmark (POLLU, 25 parameters) and a synthetic Gene Regulatory Network (GRN, 40 parameters) show that INO outperforms gradient-based and amortized baselines in parameter recovery accuracy while requiring only 0.23s inference time, a 487x speedup over iterative gradient descent.

cs.LG↗

arXiv2026

MCMC Informed Neural Emulators for Uncertainty Quantification in Dynamical Systems

Neural networks are a commonly used approach to replace physical models with computationally cheap surrogates. Parametric uncertainty quantification can be included in training, assuming that an accurate prior distribution of the model parameters is available. Here we study the common opposite situation, where direct screening or random sampling of model parameters leads to exhaustive training times and evaluations at unphysical parameter values. Our solution is to decouple uncertainty quantification from network architecture. Instead of sampling network weights, we introduce the model-parameter distribution as an input to network training via Markov chain Monte Carlo (MCMC). In this way, the surrogate achieves the same uncertainty quantification as the underlying physical model, but with substantially reduced computation time. The approach is fully agnostic with respect to the neural network choice. In our examples, we present a quantile emulator for prediction and a novel autoencoder-based ODE network emulator that can flexibly estimate different trajectory paths corresponding to different ODE model parameters. Moreover, we present a mathematical analysis that provides a transparent way to relate potential performance loss to measurable distribution mismatch.

cs.LG↗

arXiv2026

Downscaling Neural Network for Coastal Simulations

Learning the fine-scale details of a coastal ocean simulation from a coarse representation is a challenging task. For real-world applications, high-resolution simulations are necessary to advance understanding of many coastal processes, specifically, to predict flooding resulting from tsunamis and storm surges. We propose a Downscaling Neural Network for Coastal Simulation (DNNCS) for spatiotemporal enhancement to learn the high-resolution numerical solution. Given images of coastal simulations produced on low-resolution computational meshes using low polynomial order discontinuous Galerkin discretizations and a coarse temporal resolution, the proposed DNNCS learns to produce high-resolution free surface elevation and velocity visualizations in both time and space. To model the dynamic changes over time and space, we propose grid-aware spatiotemporal attention to project the temporal features to the spatial domain for non-local feature matching. The coordinate information is also utilized via positional encoding. For the final reconstruction, we use the spatiotemporal bilinear operation to interpolate the missing frames and then expand the feature maps to the frequency domain for residual mapping. Besides data-driven losses, the proposed physics-informed loss guarantees gradient consistency and momentum changes, leading to a 24% reduction in root-mean-square error compared to the model trained with only data-driven losses. To train the proposed model, we propose a coastal simulation dataset and use it for model optimization and evaluation. Our method shows superior downscaling quality and fast computation compared to the state-of-the-art methods.

eess.IV↗

arXiv2025

PUFM++: Point Cloud Upsampling via Enhanced Flow Matching

Recent advances in generative modeling have demonstrated strong promise for high-quality point cloud upsampling. In this work, we present PUFM++, an enhanced flow-matching framework for reconstructing dense and accurate point clouds from sparse, noisy, and partial observations. PUFM++ improves flow matching along three key axes: (i) geometric fidelity, (ii) robustness to imperfect input, and (iii) consistency with downstream surface-based tasks. We introduce a two-stage flow-matching strategy that first learns a direct, straight-path flow from sparse inputs to dense targets, and then refines it using noise-perturbed samples to approximate the terminal marginal distribution better. To accelerate and stabilize inference, we propose a data-driven adaptive time scheduler that improves sampling efficiency based on interpolation behavior. We further impose on-manifold constraints during sampling to ensure that generated points remain aligned with the underlying surface. Finally, we incorporate a recurrent interface network~(RIN) to strengthen hierarchical feature interactions and boost reconstruction quality. Extensive experiments on synthetic benchmarks and real-world scans show that PUFM++ sets a new state of the art in point cloud upsampling, delivering superior visual fidelity and quantitative accuracy across a wide range of tasks. Code and pretrained models are publicly available at https://github.com/Holmes-Alan/Enhanced_PUFM.

cs.CV↗

arXiv2025

Multiscale Corrections by Continuous Super-Resolution

Finite element methods typically require a high resolution to satisfactorily approximate micro and even macro patterns of an underlying physical model. This issue can be circumvented by appropriate multiscale strategies that are able to obtain reasonable approximations on under-resolved scales. In this paper, we study the implicit neural representation and propose a continuous super-resolution network as a correction strategy for multiscale effects. It can take coarse finite element data to learn both in-distribution and out-of-distribution high-resolution finite element predictions. Our highlight is the design of a local implicit transformer, which is able to learn multiscale features. We also propose Gabor wavelet-based coordinate encodings, which can overcome the bias of neural networks learning low-frequency features. Finally, perception is often preferred over distortion, so scientists can recognize the visual pattern for further investigation. However, implicit neural representation is known for its lack of local pattern supervision. We propose to use stochastic cosine similarities to compare the local feature differences between prediction and ground truth. It shows better performance on structural alignments. Our experiments show that our proposed strategy achieves superior performance as an in-distribution and out-of-distribution super-resolution strategy.

math.NA↗

arXiv2025

SPIN-ODE: Stiff Physics-Informed Neural ODE for Chemical Reaction Rate Estimation

Estimating rate coefficients from complex chemical reactions is essential for advancing detailed chemistry. However, the stiffness inherent in real-world atmospheric chemistry systems poses severe challenges, leading to training instability and poor convergence, which hinder effective rate coefficient estimation using learning-based approaches. To address this, we propose a Stiff Physics-Informed Neural ODE framework (SPIN-ODE) for chemical reaction modelling. Our method introduces a three-stage optimisation process: first, a black-box neural ODE is trained to fit concentration trajectories; second, a Chemical Reaction Neural Network (CRNN) is pre-trained to learn the mapping between concentrations and their time derivatives; and third, the rate coefficients are fine-tuned by integrating with the pre-trained CRNN. Extensive experiments on both synthetic and newly proposed real-world datasets validate the effectiveness and robustness of our approach. As the first work addressing stiff neural ODE for chemical rate coefficient discovery, our study opens promising directions for integrating neural networks with detailed chemistry.

cs.LG↗

arXiv2025

Data-Efficient Limited-Angle CT Using Deep Priors and Regularization

Reconstructing an image from its Radon transform is a fundamental computed tomography (CT) task arising in applications such as X-ray scans. In many practical scenarios, a full 180-degree scan is not feasible, or there is a desire to reduce radiation exposure. In these limited-angle settings, the problem becomes ill-posed, and methods designed for full-view data often leave significant artifacts. We propose a very low-data approach to reconstruct the original image from its Radon transform under severe angle limitations. Because the inverse problem is ill-posed, we combine multiple regularization methods, including Total Variation, a sinogram filter, Deep Image Prior, and a patch-level autoencoder. We use a differentiable implementation of the Radon transform, which allows us to use gradient-based techniques to solve the inverse problem. Our method is evaluated on a dataset from the Helsinki Tomography Challenge 2022, where the goal is to reconstruct a binary disk from its limited-angle sinogram. We only use a total of 12 data points--eight for learning a prior and four for hyperparameter selection--and achieve results comparable to the best synthetic data-driven approaches.

cs.CV↗

arXiv2025

Deep Spatio-Temporal Neural Network for Air Quality Reanalysis

Air quality prediction is key to mitigating health impacts and guiding decisions, yet existing models tend to focus on temporal trends while overlooking spatial generalization. We propose AQ-Net, a spatiotemporal reanalysis model for both observed and unobserved stations in the near future. AQ-Net utilizes the LSTM and multi-head attention for the temporal regression. We also propose a cyclic encoding technique to ensure continuous time representation. To learn fine-grained spatial air quality estimation, we incorporate AQ-Net with the neural kNN to explore feature-based interpolation, such that we can fill the spatial gaps given coarse observation stations. To demonstrate the efficiency of our model for spatiotemporal reanalysis, we use data from 2013-2017 collected in northern China for PM2.5 analysis. Extensive experiments show that AQ-Net excels in air quality reanalysis, highlighting the potential of hybrid spatio-temporal models to better capture environmental dynamics, especially in urban areas where both spatial and temporal variability are critical.

cs.LG↗

arXiv2025

Efficient Point Clouds Upsampling via Flow Matching

Diffusion models are a powerful framework for tackling ill-posed problems, with recent advancements extending their use to point cloud upsampling. Despite their potential, existing diffusion models struggle with inefficiencies as they map Gaussian noise to real point clouds, overlooking the geometric information inherent in sparse point clouds. To address these inefficiencies, we propose PUFM, a flow matching approach to directly map sparse point clouds to their high-fidelity dense counterparts. Our method first employs midpoint interpolation to sparse point clouds, resolving the density mismatch between sparse and dense point clouds. Since point clouds are unordered representations, we introduce a pre-alignment method based on Earth Mover's Distance (EMD) optimization to ensure coherent interpolation between sparse and dense point clouds, which enables a more stable learning path in flow matching. Experiments on synthetic datasets demonstrate that our method delivers superior upsampling quality but with fewer sampling steps. Further experiments on ScanNet and KITTI also show that our approach generalizes well on RGB-D point clouds and LiDAR point clouds, making it more practical for real-world applications.

cs.CV↗

arXiv2025

Neural Network Emulator for Atmospheric Chemical ODE

Modeling atmospheric chemistry is complex and computationally intense. Given the recent success of Deep neural networks in digital signal processing, we propose a Neural Network Emulator for fast chemical concentration modeling. We consider atmospheric chemistry as a time-dependent Ordinary Differential Equation. To extract the hidden correlations between initial states and future time evolution, we propose ChemNNE, an Attention based Neural Network Emulator (NNE) that can model the atmospheric chemistry as a neural ODE process. To efficiently simulate the chemical changes, we propose the sinusoidal time embedding to estimate the oscillating tendency over time. More importantly, we use the Fourier neural operator to model the ODE process for efficient computation. We also propose three physical-informed losses to supervise the training optimization. To evaluate our model, we propose a large-scale chemical dataset that can be used for neural network training and evaluation. The extensive experiments show that our approach achieves state-of-the-art performance in modeling accuracy and computational speed.

cs.LG↗

arXiv2024

Name Your Style: An Arbitrary Artist-aware Image Style Transfer

Image style transfer has attracted widespread attention in the past few years. Despite its remarkable results, it requires additional style images available as references, making it less flexible and inconvenient. Using text is the most natural way to describe the style. More importantly, text can describe implicit abstract styles, like styles of specific artists or art movements. In this paper, we propose a text-driven image style transfer (TxST) that leverages advanced image-text encoders to control arbitrary style transfer. We introduce a contrastive training strategy to effectively extract style descriptions from the image-text model (i.e., CLIP), which aligns stylization with the text description. To this end, we also propose a novel and efficient attention module that explores cross-attentions to fuse style and content features. Finally, we achieve an arbitrary artist-aware image style transfer to learn and transfer specific artistic characters such as Picasso, oil painting, or a rough sketch. Extensive experiments demonstrate that our approach outperforms the state-of-the-art methods on both image and textual styles. Moreover, it can mimic the styles of one or many artists to achieve attractive results, thus highlighting a promising direction in image style transfer.

cs.CV↗

arXiv2024

Bridging Text and Image for Artist Style Transfer via Contrastive Learning

Image style transfer has attracted widespread attention in the past few years. Despite its remarkable results, it requires additional style images available as references, making it less flexible and inconvenient. Using text is the most natural way to describe the style. More importantly, text can describe implicit abstract styles, like styles of specific artists or art movements. In this paper, we propose a Contrastive Learning for Artistic Style Transfer (CLAST) that leverages advanced image-text encoders to control arbitrary style transfer. We introduce a supervised contrastive training strategy to effectively extract style descriptions from the image-text model (i.e., CLIP), which aligns stylization with the text description. To this end, we also propose a novel and efficient adaLN based state space models that explore style-content fusion. Finally, we achieve a text-driven image style transfer. Extensive experiments demonstrate that our approach outperforms the state-of-the-art methods in artistic style transfer. More importantly, it does not require online fine-tuning and can render a 512x512 image in 0.03s.

cs.CV↗

arXiv2024

StyleMamba : State Space Model for Efficient Text-driven Image Style Transfer

We present StyleMamba, an efficient image style transfer framework that translates text prompts into corresponding visual styles while preserving the content integrity of the original images. Existing text-guided stylization requires hundreds of training iterations and takes a lot of computing resources. To speed up the process, we propose a conditional State Space Model for Efficient Text-driven Image Style Transfer, dubbed StyleMamba, that sequentially aligns the image features to the target text prompts. To enhance the local and global style consistency between text and image, we propose masked and second-order directional losses to optimize the stylization direction to significantly reduce the training iterations by 5 times and the inference time by 3 times. Extensive experiments and qualitative evaluation confirm the robust and superior stylization performance of our methods compared to the existing baselines.

cs.CV↗

arXiv2024

FunnyNet-W: Multimodal Learning of Funny Moments in Videos in the Wild

Automatically understanding funny moments (i.e., the moments that make people laugh) when watching comedy is challenging, as they relate to various features, such as body language, dialogues and culture. In this paper, we propose FunnyNet-W, a model that relies on cross- and self-attention for visual, audio and text data to predict funny moments in videos. Unlike most methods that rely on ground truth data in the form of subtitles, in this work we exploit modalities that come naturally with videos: (a) video frames as they contain visual information indispensable for scene understanding, (b) audio as it contains higher-level cues associated with funny moments, such as intonation, pitch and pauses and (c) text automatically extracted with a speech-to-text model as it can provide rich information when processed by a Large Language Model. To acquire labels for training, we propose an unsupervised approach that spots and labels funny audio moments. We provide experiments on five datasets: the sitcoms TBBT, MHD, MUStARD, Friends, and the TED talk UR-Funny. Extensive experiments and analysis show that FunnyNet-W successfully exploits visual, auditory and textual cues to identify funny moments, while our findings reveal FunnyNet-W's ability to predict funny moments in the wild. FunnyNet-W sets the new state of the art for funny moment detection with multimodal cues on all datasets with and without using ground truth information.

cs.CV↗