Zekun Ni

Pengcheng Zhao, Siqi Xiang, Weixin Jin et al.

Accurate and timely weather forecasts are critical for high-impact decisions in modern society. Machine-learning-based weather prediction is emerging as an alternative for producing initial conditions, forecasts, and even both in end-to-end systems. These methods deliver predictions faster and often with higher skill than traditional numerical weather prediction (NWP). However, even end-to-end models typically rely on NWP-generated reanalyses for supervision, thereby inheriting the biases and resolution limitations of those NWPs, and limiting adaptation to settings where suitable reanalysis products are unavailable, infrequently updated, or expensive to produce. Here we introduce ObsCast, a regional system that generates both analysis and predictions, without using any NWP-derived data in either training or inference, while still achieving state-of-the-art performance in short-term high-resolution regional modeling. Over the contiguous United States and Europe, ObsCast outperforms operational NWP for near-surface variables through 18 h and produces skillful precipitation forecasts. It provides a simpler and more adaptable route to build and refine regional forecasting services directly from local observations, without the need to develop complex and costly traditional forecasting pipelines.

Hannah Guan, Soukayna Mouatadid, Paulo Orenstein et al.

Decision-makers rely on weather forecasts to plant crops, manage wildfires, allocate water and energy, and prepare for weather extremes. Today, such forecasts enjoy unprecedented accuracy out to two weeks thanks to steady advances in physics-based dynamical models and data-driven artificial intelligence (AI) models. However, model skill drops precipitously at subseasonal timescales (2 - 6 weeks ahead), due to compounding errors and persistent biases. To counter this degradation, we introduce probabilistic bias correction (PBC), a machine learning framework that substantially reduces systematic error by learning to correct historical probabilistic forecasts. When applied to the leading dynamical and AI models from the European Centre for Medium-Range Weather Forecasts (ECMWF), PBC doubles the subseasonal skill of the AI Forecasting System and improves the skill of the operationally-debiased dynamical model for 91% of pressure, 92% of temperature, and 98% of precipitation targets. We designed PBC for operational deployment, and, in ECMWF's 2025 real-time forecasting competition, its global forecasts placed first for all weather variables and lead times, outperforming the dynamical models from six operational forecasting centers, an international dynamical multi-model ensemble, ECMWF's AI Forecasting System, and the forecasting systems of 34 teams worldwide. These probabilistic skill gains translate into more accurate prediction of extreme events and have the potential to improve agricultural planning, energy management, and disaster preparedness in vulnerable communities.

Pengcheng Zhao, Jiang Bian, Zekun Ni et al.

In recent years, Artificial Intelligence Weather Prediction (AIWP) models have achieved performance comparable to, or even surpassing, traditional Numerical Weather Prediction (NWP) models by leveraging reanalysis data. However, a less-explored approach involves training AIWP models directly on observational data, enhancing computational efficiency and improving forecast accuracy by reducing the uncertainties introduced through data assimilation processes. In this study, we propose OMG-HD, a novel AI-based regional high-resolution weather forecasting model designed to make predictions directly from observational data sources, including surface stations, radar, and satellite, thereby removing the need for operational data assimilation. Our evaluation shows that OMG-HD outperforms both the European Centre for Medium-Range Weather Forecasts (ECMWF)'s high-resolution operational forecasting system, IFS-HRES, and the High-Resolution Rapid Refresh (HRRR) model at lead times of up to 12 hours across the contiguous United States (CONUS) region. We achieve up to a 13% improvement on RMSE for 2-meter temperature, 17% on 10-meter wind speed, 48% on 2-meter specific humidity, and 32% on surface pressure compared to HRRR. Our method shows that it is possible to use AI-driven approaches for rapid weather predictions without relying on NWP-derived weather fields as model input. This is a promising step towards using observational data directly to make operational forecasts with AIWP models.

Zekun Ni

Over the past year, data-driven global weather forecasting has emerged as a new alternative to traditional numerical weather prediction. This innovative approach yields forecasts of comparable accuracy at a tiny fraction of computational costs. Regrettably, as far as I know, existing models exclusively rely on regression losses, producing forecasts with substantial blurring. Such blurring, although compromises practicality, enjoys an unfair advantage on evaluation metrics. In this paper, I present Kunyu, a global data-driven weather forecasting model which delivers accurate predictions across a comprehensive array of atmospheric variables at 0.35° resolution. With both regression and adversarial losses integrated in its training framework, Kunyu generates forecasts with enhanced clarity and realism. Its performance outpaces even ECMWF HRES in some aspects such as the estimation of anomaly extremes, while remaining competitive with ECMWF HRES on evaluation metrics such as RMSE and ACC. Kunyu is an important step forward in closing the utility gap between numerical and data-driven weather prediction.

Zekun Ni, Jonathan Weyn, Hang Zhang et al.

Over the past few years, machine learning-based data-driven weather prediction has been transforming operational weather forecasting by providing more accurate forecasts while using a mere fraction of computing power compared to traditional numerical weather prediction (NWP). However, those models still rely on initial conditions from NWP, putting an upper limit on their forecast abilities. A few end-to-end systems have since been proposed, but they have yet to match the forecast skill of state-of-the-art NWP competitors. In this work, we propose Huracan, an observation-driven weather forecasting system which combines an ensemble data assimilation model with a forecast model to produce highly accurate forecasts relying only on observations as inputs. Huracan is not only the first to provide ensemble initial conditions and end-to-end ensemble weather forecasts, but also the first end-to-end system to achieve an accuracy comparable with that of ECMWF ENS, the state-of-the-art NWP competitor, despite using a smaller amount of available observation data. Notably, Huracan matches or exceeds the continuous ranked probability score of ECMWF ENS on 75.4% of the variable and lead time combinations. Our work is a major step forward in end-to-end data-driven weather prediction and opens up opportunities for further improving and revolutionizing operational weather forecasting.

Xiangyan Sun, Ke Liu, Yuquan Lin et al.

We have developed an end-to-end, retrosynthesis system, named ChemiRise, that can propose complete retrosynthesis routes for organic compounds rapidly and reliably. The system was trained on a processed patent database of over 3 million organic reactions. Experimental reactions were atom-mapped, clustered, and extracted into reaction templates. We then trained a graph convolutional neural network-based one-step reaction proposer using template embeddings and developed a guiding algorithm on the directed acyclic graph (DAG) of chemical compounds to find the best candidate to explore. The atom-mapping algorithm and the one-step reaction proposer were benchmarked against previous studies and showed better results. The final product was demonstrated by retrosynthesis routes reviewed and rated by human experts, showing satisfying functionality and a potential productivity boost in real-life use cases.

Ke Liu, Zekun Ni, Zhenyu Zhou et al.

Molecular modeling is an important topic in drug discovery. Decades of research have led to the development of high quality scalable molecular force fields. In this paper, we show that neural networks can be used to train a universal approximator for energy potential functions. By incorporating a fully automated training process we have been able to train smooth, differentiable, and predictive potential functions on large-scale crystal structures. A variety of tests have also been performed to show the superiority and versatility of the machine-learned model.

Shuchang Zhou, Yuxin Wu, Zekun Ni et al.

We propose DoReFa-Net, a method to train convolutional neural networks that have low bitwidth weights and activations using low bitwidth parameter gradients. In particular, during backward pass, parameter gradients are stochastically quantized to low bitwidth numbers before being propagated to convolutional layers. As convolutions during forward/backward passes can now operate on low bitwidth weights and activations/gradients respectively, DoReFa-Net can use bit convolution kernels to accelerate both training and inference. Moreover, as bit convolutions can be efficiently implemented on CPU, FPGA, ASIC and GPU, DoReFa-Net opens the way to accelerate training of low bitwidth neural network on these hardware. Our experiments on SVHN and ImageNet datasets prove that DoReFa-Net can achieve comparable prediction accuracy as 32-bit counterparts. For example, a DoReFa-Net derived from AlexNet that has 1-bit weights, 2-bit activations, can be trained from scratch using 6-bit gradients to get 46.1\% top-1 accuracy on ImageNet validation set. The DoReFa-Net AlexNet model is released publicly.