Tengfei Lyu

Tengfei Lyu, Weijia Zhang, Jinliang Deng et al.

Spatio-temporal forecasting is a critical component of various smart city applications, such as transportation optimization, energy management, and socio-economic analysis. Recently, several automated spatio-temporal forecasting methods have been proposed to automatically search the optimal neural network architecture for capturing complex spatio-temporal dependencies. However, the existing automated approaches suffer from expensive neural architecture search overhead, which hinders their practical use and the further exploration of diverse spatio-temporal operators in a finer granularity. In this paper, we propose AutoSTF, a decoupled automatic neural architecture search framework for cost-effective automated spatio-temporal forecasting. From the efficiency perspective, we first decouple the mixed search space into temporal space and spatial space and respectively devise representation compression and parameter-sharing schemes to mitigate the parameter explosion. The decoupled spatio-temporal search not only expedites the model optimization process but also leaves new room for more effective spatio-temporal dependency modeling. From the effectiveness perspective, we propose a multi-patch transfer module to jointly capture multi-granularity temporal dependencies and extend the spatial search space to enable finer-grained layer-wise spatial dependency search. Extensive experiments on eight datasets demonstrate the superiority of AutoSTF in terms of both accuracy and efficiency. Specifically, our proposed method achieves up to 13.48x speed-up compared to state-of-the-art automatic spatio-temporal forecasting methods while maintaining the best forecasting accuracy.

Fan Liu, Jindong Han, Tengfei Lyu et al.

Foundation models (FMs), such as GPT-4 and AlphaFold, are reshaping the landscape of scientific research. Beyond accelerating tasks such as hypothesis generation, experimental design, and result interpretation, they prompt a more fundamental question: Are FMs merely enhancing existing scientific methodologies, or are they redefining the way science is conducted? In this paper, we argue that FMs are catalyzing a transition toward a new scientific paradigm. We introduce a three-stage framework to describe this evolution: (1) Meta-Scientific Integration, where FMs enhance workflows within traditional paradigms; (2) Hybrid Human-AI Co-Creation, where FMs become active collaborators in problem formulation, reasoning, and discovery; and (3) Autonomous Scientific Discovery, where FMs operate as independent agents capable of generating new scientific knowledge with minimal human intervention. Through this lens, we review current applications and emerging capabilities of FMs across existing scientific paradigms. We further identify risks and future directions for FM-enabled scientific discovery. This position paper aims to support the scientific community in understanding the transformative role of FMs and to foster reflection on the future of scientific discovery. Our project is available at https://github.com/usail-hkust/Awesome-Foundation-Models-for-Scientific-Discovery.

Tengfei Lyu, Weijia Zhang, Hao Liu

Subseasonal-to-seasonal (S2S) forecasting, which predicts climate conditions from several weeks to months in advance, represents a critical frontier for agricultural planning, energy management, and disaster preparedness. However, it remains one of the most challenging problems in atmospheric science, due to the chaotic dynamics of atmospheric systems and complex interactions across multiple scales. Current approaches often fail to explicitly model underlying physical processes and teleconnections that are crucial at S2S timescales. We introduce \textbf{TelePiT}, a novel deep learning architecture that enhances global S2S forecasting through integrated multi-scale physics and teleconnection awareness. Our approach consists of three key components: (1) Spherical Harmonic Embedding, which accurately encodes global atmospheric variables onto spherical geometry; (2) Multi-Scale Physics-Informed Neural ODE, which explicitly captures atmospheric physical processes across multiple learnable frequency bands; (3) Teleconnection-Aware Transformer, which models critical global climate interactions through explicitly modeling teleconnection patterns into the self-attention. Extensive experiments demonstrate that \textbf{TelePiT} significantly outperforms state-of-the-art data-driven baselines and operational numerical weather prediction systems across all forecast horizons, marking a significant advance toward reliable S2S forecasting.

Jiamin Chen, Jianliang Gao, Yibo Chen et al.

Graph neural architecture search has received a lot of attention as Graph Neural Networks (GNNs) has been successfully applied on the non-Euclidean data recently. However, exploring all possible GNNs architectures in the huge search space is too time-consuming or impossible for big graph data. In this paper, we propose a parallel graph architecture search (GraphPAS) framework for graph neural networks. In GraphPAS, we explore the search space in parallel by designing a sharing-based evolution learning, which can improve the search efficiency without losing the accuracy. Additionally, architecture information entropy is adopted dynamically for mutation selection probability, which can reduce space exploration. The experimental result shows that GraphPAS outperforms state-of-art models with efficiency and accuracy simultaneously.