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Qizhi Pei

12 accepted papers

2026

IDEAL: Data Equilibrium Adaptation for Multi-Capability Language Model Alignment

ICLR 2026poster

Large Language Models (LLMs) have achieved impressive performance through Supervised Fine-tuning (SFT) on diverse instructional datasets. When training on multiple capabilities simultaneously, the mixture training dataset, governed by volumes of data from different domains, is a critical factor that…

Cited by 0SourceScholar
2025

3D-MolT5: Leveraging Discrete Structural Information for Molecule-Text Modeling

ICLR 2025poster

The integration of molecular and natural language representations has emerged as a focal point in molecular science, with recent advancements in Language Models (LMs) demonstrating significant potential for comprehensive modeling of both domains. However, existing approaches face notable limitations…

2025

A Strategic Coordination Framework of Small LMs Matches Large LMs in Data Synthesis

ACL 2025long

While data synthesis and distillation are promising strategies to enhance small language models, current approaches heavily rely on Large Language Models (LLMs), which suffer from high computational costs, environmental inefficiency, and potential biases inherited from monolithic architectures. In c…

2025

CipherBank: Exploring the Boundary of LLM Reasoning Capabilities through Cryptography Challenge

ACL 2025finding

Large language models (LLMs) have demonstrated remarkable capabilities, especially the recent advancements in reasoning, such as o1 and o3, pushing the boundaries of AI. Despite these impressive achievements in mathematics and coding, the reasoning abilities of LLMs in domains requiring cryptographi…

2025

LEMMA: Learning from Errors for MatheMatical Advancement in LLMs

ACL 2025finding

Large language models (LLMs) have demonstrated remarkable reasoning capability in solving mathematical problems. However, existing approaches primarily focus on improving the quality of correct training data, e.g., distilling high-quality correct solutions from advanced models, neglecting the value…

2025

MathFusion: Enhancing Mathematical Problem-solving of LLM through Instruction Fusion

ACL 2025long

Large Language Models (LLMs) have shown impressive progress in mathematical reasoning. While data augmentation is promising to enhance mathematical problem-solving ability, current approaches are predominantly limited to instance-level modifications—such as rephrasing or generating syntactic variati…

2025

MetaLadder: Ascending Mathematical Solution Quality via Analogical-Problem Reasoning Transfer

EMNLP 2025

Large Language Models (LLMs) have demonstrated promising capabilities in solving mathematical reasoning tasks, leveraging Chain-of-Thought (CoT) data as a vital component in guiding answer generation. Current paradigms typically generate CoT and answers directly for a given problem, diverging from h

2025

Middo: Model-Informed Dynamic Data Optimization for Enhanced LLM Fine-Tuning via Closed-Loop Learning

EMNLP 2025

Supervised Fine-Tuning (SFT) Large Language Models (LLM) fundamentally rely on high-quality training data. While data selection and data synthesis are two common strategies to improve data quality, existing approaches often face limitations in static dataset curation that fail to adapt to evolving m

2025

Scaling Code-Assisted Chain-of-Thoughts and Instructions for Model Reasoning

NeurIPS 2025poster

Reasoning capability is pivotal for Large Language Models (LLMs) to solve complex tasks, yet achieving reliable and scalable reasoning remains challenging. While Chain-of-Thought (CoT) prompting has become a mainstream approach, existing methods often suffer from uncontrolled generation, insufficien…

Cited by 0SourceScholar
2024

BioT5+: Towards Generalized Biological Understanding with IUPAC Integration and Multi-task Tuning

ACL 2024findings

Recent research trends in computational biology have increasingly focused on integrating text and bio-entity modeling, especially in the context of molecules and proteins. However, previous efforts like BioT5 faced challenges in generalizing across diverse tasks and lacked a nuanced understanding of…

2023

BioT5: Enriching Cross-modal Integration in Biology with Chemical Knowledge and Natural Language Associations

EMNLP 2023long main

Recent advancements in biological research leverage the integration of molecules, proteins, and natural language to enhance drug discovery. However, current models exhibit several limitations, such as the generation of invalid molecular SMILES, underutilization of contextual information, and equal t…

Cited by 0SourcecodeScholar
2023

FABind: Fast and Accurate Protein-Ligand Binding

NeurIPS 2023poster

Modeling the interaction between proteins and ligands and accurately predicting their binding structures is a critical yet challenging task in drug discovery. Recent advancements in deep learning have shown promise in addressing this challenge, with sampling-based and regression-based methods emergi…