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Weida Wang

Weida Wang contributes to research discovery and scholarly infrastructure.

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Published work

5 published item(s)

preprint2026arXiv

$δ$-mem: Efficient Online Memory for Large Language Models

Large language models increasingly need to accumulate and reuse historical information in long-term assistants and agent systems. Simply expanding the context window is costly and often fails to ensure effective context utilization. We propose $δ$-mem, a lightweight memory mechanism that augments a frozen full-attention backbone with a compact online state of associative memory. $δ$-mem compresses past information into a fixed-size state matrix updated by delta-rule learning, and uses its readout to generate low-rank corrections to the backbone's attention computation during generation. With only an $8\times8$ online memory state, $δ$-mem improves the average score to $1.10\times$ that of the frozen backbone and $1.15\times$ that of the strongest non-$δ$-mem memory baseline. It achieves larger gains on memory-heavy benchmarks, reaching $1.31\times$ on MemoryAgentBench and $1.20\times$ on LoCoMo, while largely preserving general capabilities. These results show that effective memory can be realized through a compact online state directly coupled with attention computation, without full fine-tuning, backbone replacement, or explicit context extension.

preprint2026arXiv

MolViBench: Evaluating LLMs on Molecular Vibe Coding

Molecular Vibe Coding, a paradigm where chemists interact with LLMs to generate executable programs for molecular tasks, has emerged as a flexible alternative to chemical agents with predefined tools, enabling chemists to express arbitrarily complex, customized workflows. Unlike general coding tasks, molecular coding imposes a distinctive challenge that LLMs should jointly equip programming, molecular understanding, and domain-specific reasoning capabilities. However, existing benchmarks remain disconnected. General code generation benchmarks such as HumanEval and SWE-bench require no chemistry knowledge, while chemistry-focused benchmarks such as S^2-Bench and ChemCoTBench evaluate knowledge recall or property prediction rather than executable code generation. To bridge this gap, we introduce MolViBench, the first benchmark tailored for Molecular Vibe Coding. MolViBench comprises 358 curated tasks across five cognitive levels, ranging from single-API recall to end-to-end virtual screening pipeline design, spanning 12 real-world drug discovery workflows. To rigorously assess generated code, we also propose a multi-layered evaluation framework that combines type-aware output comparison and AST-based API-semantic fallback analysis, which jointly measures executability and chemical correctness. We systematically evaluate 9 frontier coding LLMs and compare three real-world Molecular Vibe Coding paradigms, providing a practical and fine-grained testbed for diagnosing LLMs' coding capabilities in AI-accelerated molecular discovery.

preprint2026arXiv

SciEvalKit: An Open-source Evaluation Toolkit for Scientific General Intelligence

We introduce SciEvalKit, a unified benchmarking toolkit designed to evaluate AI models for science across a broad range of scientific disciplines and task capabilities. Unlike general-purpose evaluation platforms, SciEvalKit focuses on the core competencies of scientific intelligence, including Scientific Multimodal Perception, Scientific Multimodal Reasoning, Scientific Multimodal Understanding, Scientific Symbolic Reasoning, Scientific Code Generation, Science Hypothesis Generation and Scientific Knowledge Understanding. It supports six major scientific domains, spanning from physics and chemistry to astronomy and materials science. SciEvalKit builds a foundation of expert-grade scientific benchmarks, curated from real-world, domain-specific datasets, ensuring that tasks reflect authentic scientific challenges. The toolkit features a flexible, extensible evaluation pipeline that enables batch evaluation across models and datasets, supports custom model and dataset integration, and provides transparent, reproducible, and comparable results. By bridging capability-based evaluation and disciplinary diversity, SciEvalKit offers a standardized yet customizable infrastructure to benchmark the next generation of scientific foundation models and intelligent agents. The toolkit is open-sourced and actively maintained to foster community-driven development and progress in AI4Science.

preprint2023arXiv

How Does Traffic Environment Quantitatively Affect the Autonomous Driving Prediction?

An accurate trajectory prediction is crucial for safe and efficient autonomous driving in complex traffic environments. In recent years, artificial intelligence has shown strong capabilities in improving prediction accuracy. However, its characteristics of inexplicability and uncertainty make it challenging to determine the traffic environmental effect on prediction explicitly, posing significant challenges to safety-critical decision-making. To address these challenges, this study proposes a trajectory prediction framework with the epistemic uncertainty estimation ability that outputs high uncertainty when confronting unforeseeable or unknown scenarios. The proposed framework is used to analyze the environmental effect on the prediction algorithm performance. In the analysis, the traffic environment is considered in terms of scenario features and shifts, respectively, where features are divided into kinematic features of a target agent, features of its surrounding traffic participants, and other features. In addition, feature correlation and importance analyses are performed to study the above features' influence on the prediction error and epistemic uncertainty. Further, a cross-dataset case study is conducted using multiple intersection datasets to investigate the impact of unavoidable distributional shifts in the real world on trajectory prediction. The results indicate that the deep ensemble-based method has advantages in improving prediction robustness and estimating epistemic uncertainty. The consistent conclusions are obtained by the feature correlation and importance analyses, including the conclusion that kinematic features of the target agent have relatively strong effects on the prediction error and epistemic uncertainty. Furthermore, the prediction failure caused by distributional shifts and the potential of the deep ensemble-based method are analyzed.

preprint2022arXiv

SIND: A Drone Dataset at Signalized Intersection in China

Intersection is one of the most challenging scenarios for autonomous driving tasks. Due to the complexity and stochasticity, essential applications (e.g., behavior modeling, motion prediction, safety validation, etc.) at intersections rely heavily on data-driven techniques. Thus, there is an intense demand for trajectory datasets of traffic participants (TPs) in intersections. Currently, most intersections in urban areas are equipped with traffic lights. However, there is not yet a large-scale, high-quality, publicly available trajectory dataset for signalized intersections. Therefore, in this paper, a typical two-phase signalized intersection is selected in Tianjin, China. Besides, a pipeline is designed to construct a Signalized INtersection Dataset (SIND), which contains 7 hours of recording including over 13,000 TPs with 7 types. Then, the behaviors of traffic light violations in SIND are recorded. Furthermore, the SIND is also compared with other similar works. The features of the SIND can be summarized as follows: 1) SIND provides more comprehensive information, including traffic light states, motion parameters, High Definition (HD) map, etc. 2) The category of TPs is diverse and characteristic, where the proportion of vulnerable road users (VRUs) is up to 62.6% 3) Multiple traffic light violations of non-motor vehicles are shown. We believe that SIND would be an effective supplement to existing datasets and can promote related research on autonomous driving.The dataset is available online via: https://github.com/SOTIF-AVLab/SinD