Xingsheng Chen

Zongru Li, Xingsheng Chen, Honggang Wen et al.

Molecular property prediction integrates quantum chemistry, cheminformatics, and deep learning to connect molecular structure with physicochemical and biological behavior. This survey traces four complementary paradigms, including Quantum, Descriptor Machine Learning, Geometric Deep Learning, and Foundation Models, and outlines a unified taxonomy linking molecular representations, model architectures, and interdisciplinary applications. Benchmark analyses integrate evidence from both widely used datasets and datasets reflecting industry perspectives, encompassing quantum, physicochemical, physiological, and biophysical domains. The survey examines current standards in data curation, splitting strategies, and evaluation protocols, highlighting challenges including inconsistent stereochemistry, heterogeneous assay sources, and reproducibility limitations under random or poorly defined splits. These observations motivate the modernization of benchmark design toward more transparent, time- and scaffold-aware methodologies. We further propose three forward-looking directions: (i) physics-aware learning embedding quantum consistency, (ii) uncertainty-calibrated foundation models for trustworthy inference, and (iii) realistic multimodal benchmark ecosystems integrating computational and experimental data. Repository: https://github.com/Zongru-Li/Survey-and-Benchmarks-of-DL-for-Molecular-Property-Prediction-in-the-Foundation-Model-Era.

Xingsheng Chen, Xianpei Mu, Deyu Yi et al.

Multivariate time series forecasting is fundamental to numerous domains such as energy, finance, and environmental monitoring, where complex temporal dependencies and cross-variable interactions pose enduring challenges. Existing Transformer-based methods capture temporal correlations through attention mechanisms but suffer from quadratic computational cost, while state-space models like Mamba achieve efficient long-context modeling yet lack explicit temporal pattern recognition. Therefore we introduce UniMamba, a unified spatial-temporal forecasting framework that integrates efficient state-space dynamics with attention-based dependency learning. UniMamba employs a Mamba Variate-Channel Encoding Layer enhanced with FFT-Laplace Transform and TCN to capture global temporal dependencies, and a Spatial Temporal Attention Layer to jointly model inter-variate correlations and temporal evolution. A Feedforward Temporal Dynamics Layer further fuses continuous and discrete contexts for accurate forecasting. Comprehensive experiments on eight public benchmark datasets demonstrate that UniMamba consistently outperforms state-of-the-art forecasting models in both forecasting accuracy and computational efficiency, establishing a scalable and robust solution for long-sequence multivariate time-series prediction.

Xingsheng Chen, Regina Zhang, Bo Gao et al.

Time series prediction plays a pivotal role across diverse domains such as finance, healthcare, energy systems, and environmental modeling. However, existing approaches often struggle to balance efficiency, scalability, and accuracy, particularly when handling long-range dependencies and irregularly sampled data. To address these challenges, we propose MODE, a unified framework that integrates Low-Rank Neural Ordinary Differential Equations (Neural ODEs) with an Enhanced Mamba architecture. As illustrated in our framework, the input sequence is first transformed by a Linear Tokenization Layer and then processed through multiple Mamba Encoder blocks, each equipped with an Enhanced Mamba Layer that employs Causal Convolution, SiLU activation, and a Low-Rank Neural ODE enhancement to efficiently capture temporal dynamics. This low-rank formulation reduces computational overhead while maintaining expressive power. Furthermore, a segmented selective scanning mechanism, inspired by pseudo-ODE dynamics, adaptively focuses on salient subsequences to improve scalability and long-range sequence modeling. Extensive experiments on benchmark datasets demonstrate that MODE surpasses existing baselines in both predictive accuracy and computational efficiency. Overall, our contributions include: (1) a unified and efficient architecture for long-term time series modeling, (2) integration of Mamba's selective scanning with low-rank Neural ODEs for enhanced temporal representation, and (3) substantial improvements in efficiency and scalability enabled by low-rank approximation and dynamic selective scanning.

Jiale Guo, Suizhi Huang, Mei Li et al.

The integration of Large Language Models (LLMs) into software engineering has driven a transition from traditional rule-based systems to autonomous agentic systems capable of solving complex problems. However, systematic progress is hindered by a lack of comprehensive understanding of how benchmarks and solutions interconnect. This survey addresses this gap by providing the first holistic analysis of LLM-powered software engineering, offering insights into evaluation methodologies and solution paradigms. We review over 150 recent papers and propose a taxonomy along two key dimensions: (1) Solutions, categorized into prompt-based, fine-tuning-based, and agent-based paradigms, and (2) Benchmarks, including tasks such as code generation, translation, and repair. Our analysis highlights the evolution from simple prompt engineering to sophisticated agentic systems incorporating capabilities like planning, reasoning, memory mechanisms, and tool augmentation. To contextualize this progress, we present a unified pipeline illustrating the workflow from task specification to deliverables, detailing how different solution paradigms address various complexity levels. Unlike prior surveys that focus narrowly on specific aspects, this work connects 50+ benchmarks to their corresponding solution strategies, enabling researchers to identify optimal approaches for diverse evaluation criteria. We also identify critical research gaps and propose future directions, including multi-agent collaboration, self-evolving systems, and formal verification integration. This survey serves as a foundational guide for advancing LLM-driven software engineering. We maintain a GitHub repository that continuously updates the reviewed and related papers at https://github.com/lisaGuojl/LLM-Agent-SE-Survey.

Bo Gao, Jingcheng Tong, Xingsheng Chen et al.

Detecting small objects in UAV remote sensing images and identifying surface defects in industrial inspection remain difficult tasks. These applications face common obstacles: features are sparse and weak, backgrounds are cluttered, and object scales vary dramatically. Current transformer-based detectors, while powerful, struggle with three critical issues. First, features degrade severely as networks downsample progressively. Second, spatial convolutions cannot capture long-range dependencies effectively. Third, standard upsampling methods inflate feature maps unnecessarily. We introduce DFIR-DETR to tackle these problems through dynamic feature aggregation combined with frequency-domain processing. Our architecture builds on three novel components. The DCFA module uses dynamic K-sparse attention, cutting complexity from O(N2) down to O(NK), and employs spatial gated linear units for better nonlinear modeling. The DFPN module applies amplitude-normalized upsampling to prevent feature inflation and uses dual-path shuffle convolution to retain spatial details across scales. The FIRC3 module operates in the frequency domain, achieving global receptive fields without sacrificing efficiency. We tested our method extensively on NEU-DET and VisDrone datasets. Results show mAP50 scores of 92.9% and 51.6% respectively-both state-of-the-art. The model stays lightweight with just 11.7M parameters and 41.2 GFLOPs. Strong performance across two very different domains confirms that DFIR-DETR generalizes well and works effectively in resource-limited settings for cross-scene small object detection.