Hao Wang

Yuqing Huang, Rongyang Zhang, Xuesong He et al.

There is a growing interest in the role that LLMs play in chemistry which lead to an increased focus on the development of LLMs benchmarks tailored to chemical domains to assess the performance of LLMs across a spectrum of chemical tasks varying in type and complexity. However, existing benchmarks in this domain fail to adequately meet the specific requirements of chemical research professionals. To this end, we propose \textbf{\textit{ChemEval}}, which provides a comprehensive assessment of the capabilities of LLMs across a wide range of chemical domain tasks. Specifically, ChemEval identified 4 crucial progressive levels in chemistry, assessing 12 dimensions of LLMs across 42 distinct chemical tasks which are informed by open-source data and the data meticulously crafted by chemical experts, ensuring that the tasks have practical value and can effectively evaluate the capabilities of LLMs. In the experiment, we evaluate 12 mainstream LLMs on ChemEval under zero-shot and few-shot learning contexts, which included carefully selected demonstration examples and carefully designed prompts. The results show that while general LLMs like GPT-4 and Claude-3.5 excel in literature understanding and instruction following, they fall short in tasks demanding advanced chemical knowledge. Conversely, specialized LLMs exhibit enhanced chemical competencies, albeit with reduced literary comprehension. This suggests that LLMs have significant potential for enhancement when tackling sophisticated tasks in the field of chemistry. We believe our work will facilitate the exploration of their potential to drive progress in chemistry. Our benchmark and analysis will be available at {\color{blue} \url{https://github.com/USTC-StarTeam/ChemEval}}.

Hao Wang, Licheng Pan, Zhichao Chen et al. · pku

Training time-series forecast models presents unique challenges in designing effective learning objectives. Existing methods predominantly utilize the temporal mean squared error, which faces two critical challenges: (1) label autocorrelation, which leads to bias from the label sequence likelihood; (2) excessive amount of tasks, which increases with the forecast horizon and complicates optimization. To address these challenges, we propose Time-o1, a transformation-augmented learning objective tailored for time-series forecasting. The central idea is to transform the label sequence into decorrelated components with discriminated significance. Models are then trained to align the most significant components, thereby effectively mitigating label autocorrelation and reducing task amount. Extensive experiments demonstrate that Time-o1 achieves state-of-the-art performance and is compatible with various forecast models. Code is available at https://github.com/Master-PLC/Time-o1.

Wenzhen Yue, Yong Liu, Haoxuan Li et al. · pku

This paper presents $\mathbf{OLinear}$, a $\mathbf{linear}$-based multivariate time series forecasting model that operates in an $\mathbf{o}$rthogonally transformed domain. Recent forecasting models typically adopt the temporal forecast (TF) paradigm, which directly encode and decode time series in the time domain. However, the entangled step-wise dependencies in series data can hinder the performance of TF. To address this, some forecasters conduct encoding and decoding in the transformed domain using fixed, dataset-independent bases (e.g., sine and cosine signals in the Fourier transform). In contrast, we utilize $\mathbf{OrthoTrans}$, a data-adaptive transformation based on an orthogonal matrix that diagonalizes the series' temporal Pearson correlation matrix. This approach enables more effective encoding and decoding in the decorrelated feature domain and can serve as a plug-in module to enhance existing forecasters. To enhance the representation learning for multivariate time series, we introduce a customized linear layer, $\mathbf{NormLin}$, which employs a normalized weight matrix to capture multivariate dependencies. Empirically, the NormLin module shows a surprising performance advantage over multi-head self-attention, while requiring nearly half the FLOPs. Extensive experiments on 24 benchmarks and 140 forecasting tasks demonstrate that OLinear consistently achieves state-of-the-art performance with high efficiency. Notably, as a plug-in replacement for self-attention, the NormLin module consistently enhances Transformer-based forecasters. The code and datasets are available at https://anonymous.4open.science/r/OLinear

Weijia Zhang, Jindong Han, Hao Liu et al.

Real estate appraisal is important for a variety of endeavors such as real estate deals, investment analysis, and real property taxation. Recently, deep learning has shown great promise for real estate appraisal by harnessing substantial online transaction data from web platforms. Nonetheless, deep learning is data-hungry, and thus it may not be trivially applicable to enormous small cities with limited data. To this end, we propose Meta-Transfer Learning Empowered Temporal Graph Networks (MetaTransfer) to transfer valuable knowledge from multiple data-rich metropolises to the data-scarce city to improve valuation performance. Specifically, by modeling the ever-growing real estate transactions with associated residential communities as a temporal event heterogeneous graph, we first design an Event-Triggered Temporal Graph Network to model the irregular spatiotemporal correlations between evolving real estate transactions. Besides, we formulate the city-wide real estate appraisal as a multi-task dynamic graph link label prediction problem, where the valuation of each community in a city is regarded as an individual task. A Hypernetwork-Based Multi-Task Learning module is proposed to simultaneously facilitate intra-city knowledge sharing between multiple communities and task-specific parameters generation to accommodate the community-wise real estate price distribution. Furthermore, we propose a Tri-Level Optimization Based Meta- Learning framework to adaptively re-weight training transaction instances from multiple source cities to mitigate negative transfer, and thus improve the cross-city knowledge transfer effectiveness. Finally, extensive experiments based on five real-world datasets demonstrate the significant superiority of MetaTransfer compared with eleven baseline algorithms.