most citedFrom AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery

5 citations · 5 across the 18 of their papers we have counts for

collaborators

20 papers

cs.CL2026

Beyond Retrieval Failure: Understanding Why LLMs Miss Evidence in Multi-Hop RAG

Jiaqi Wei, Wenxuan Huang, Chengdong Xu +2

Multi-hop retrieval-augmented generation (RAG) requires an agent to retrieve evidence for a sequence of dependent sub-questions. When a wrong answer lacks a required passage, the p…

cs.CL2026

When LLM Meets Tree Search: A Systematic View of Inference as Search in Large Language Models

Jiaqi Wei, Xiang Zhang, Yuejin Yang +10

As pretraining scaling laws approach saturation, Test-Time Scaling (TTS) has emerged as an important direction for improving reasoning by allocating inference-time compute to a fix…

cs.AI2026

EvoMAS: Learning Execution-Time Workflows for Multi-Agent Systems

Chengdong Xu, Kaiqiang Ke, Ziheng Liu +4

Large language model (LLM)-based multi-agent systems have shown strong potential on complex tasks through agent specialization, tool use, and collaborative reasoning. However, most…

cs.CL2026

When to Think, When to Speak: Learning Disclosure Policies for LLM Reasoning

Jiaqi Wei, Xuehang Guo, Pengfei Yu +5

In single-stream autoregressive interfaces, the same tokens both update the model state and constitute an irreversible public commitment. This coupling creates a silence tax: addit…

cs.AI2026

AblateCell: A Reproduce-then-Ablate Agent for Virtual Cell Repositories

Xue Xia, Chengkai Yao, Mingyu Tsoi +10

Systematic ablations are essential to attribute performance gains in AI Virtual Cells, yet they are rarely performed because biological repositories are under-standardized and tigh…

cs.LG2026

FORESTLLM: Large Language Models Make Random Forest Great on Few-shot Tabular Learning

Zhihan Yang, Jiaqi Wei, Xiang Zhang +6

Tabular data high-stakes critical decision-making in domains such as finance, healthcare, and scientific discovery. Yet, learning effectively from tabular data in few-shot settings…

cs.CL2025

Reflection Pretraining Enables Token-Level Self-Correction in Biological Sequence Models

Xiang Zhang, Jiaqi Wei, Yuejin Yang +8

Chain-of-Thought (CoT) prompting has significantly advanced task-solving capabilities in natural language processing with large language models. Unlike standard prompting, CoT enco…

cs.AI2025

Probing Scientific General Intelligence of LLMs with Scientist-Aligned Workflows

Wanghan Xu, Yuhao Zhou, Yifan Zhou +104

Despite advances in scientific AI, a coherent framework for Scientific General Intelligence (SGI)-the ability to autonomously conceive, investigate, and reason across scientific do…

q-bio.QM2025

Accurate de novo sequencing of the modified proteome with OmniNovo

Yuhan Chen, Shang Qu, Zhiqiang Gao +13

Post-translational modifications (PTMs) serve as a dynamic chemical language regulating protein function, yet current proteomic methods remain blind to a vast portion of the modifi…

cs.CL2025

Unifying Tree Search Algorithm and Reward Design for LLM Reasoning: A Survey

Jiaqi Wei, Xiang Zhang, Yuejin Yang +10

Deliberative tree search is a cornerstone of modern Large Language Model (LLM) research, driving the pivot from brute-force scaling toward algorithmic efficiency. This single parad…

cs.LG2025

TimeSeriesScientist: A General-Purpose AI Agent for Time Series Analysis

Haokun Zhao, Xiang Zhang, Jiaqi Wei +4

Time series forecasting is central to decision-making in domains as diverse as energy, finance, climate, and public health. In practice, forecasters face thousands of short, noisy…

cs.LG2025

Bidirectional Representations Augmented Autoregressive Biological Sequence Generation

Xiang Zhang, Jiaqi Wei, Zijie Qiu +5

Autoregressive (AR) models, common in sequence generation, are limited in many biological tasks such as de novo peptide sequencing and protein modeling by their unidirectional natu…

cs.AI2025

PosterGen: Aesthetic-Aware Multi-Modal Paper-to-Poster Generation via Multi-Agent LLMs

Zhilin Zhang, Xiang Zhang, Jiaqi Wei +2

Multi-agent systems built upon large language models (LLMs) have demonstrated remarkable capabilities in tackling complex compositional tasks. In this work, we apply this paradigm…

cs.LG2025★ 5 cited

From AI for Science to Agentic Science: A Survey on Autonomous Scientific Discovery

Jiaqi Wei, Yuejin Yang, Xiang Zhang +24

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pi…

q-bio.BM2025

Curriculum Learning for Biological Sequence Prediction: The Case of De Novo Peptide Sequencing

Xiang Zhang, Jiaqi Wei, Zijie Qiu +4

Peptide sequencing-the process of identifying amino acid sequences from mass spectrometry data-is a fundamental task in proteomics. Non-Autoregressive Transformers (NATs) have prov…

cs.AI2025

Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning

Yuhao Zhou, Yiheng Wang, Xuming He +26

Scientific discoveries increasingly rely on complex multimodal reasoning based on information-intensive scientific data and domain-specific expertise. Empowered by expert-level sci…

cs.LG2025

Universal Biological Sequence Reranking for Improved De Novo Peptide Sequencing

Zijie Qiu, Jiaqi Wei, Xiang Zhang +6

De novo peptide sequencing is a critical task in proteomics. However, the performance of current deep learning-based methods is limited by the inherent complexity of mass spectrome…

cs.CL2025

Tokenization Constraints in LLMs: A Study of Symbolic and Arithmetic Reasoning Limits

Xiang Zhang, Juntai Cao, Jiaqi Wei +2

Tokenization is the first - and often underappreciated - layer of computation in language models. While Chain-of-Thought (CoT) prompting enables transformer models to approximate r…

cs.AI2025

Retrieval is Not Enough: Enhancing RAG Reasoning through Test-Time Critique and Optimization

Jiaqi Wei, Hao Zhou, Xiang Zhang +6

Retrieval-augmented generation (RAG) has become a widely adopted paradigm for enabling knowledge-grounded large language models (LLMs). However, standard RAG pipelines often fail t…

cs.CL2025

Why Prompt Design Matters and Works: A Complexity Analysis of Prompt Search Space in LLMs

Xiang Zhang, Juntai Cao, Jiaqi Wei +2

Despite the remarkable successes of large language models (LLMs), the underlying Transformer architecture has inherent limitations in handling complex reasoning tasks. Chain-of-tho…