most citedPeptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding

1 citations · 1 across the 13 of their papers we have counts for

collaborators

14 papers

cs.AI2026

L2G-SR: Learning to Guide LLM-based Symbolic Regression

Letian Huang, Xiangyu Wang, Haowei Lin +1

Symbolic regression searches for an equation that explains observed data. Numerical error is commonly used to guide the search, but it alone can favor an accurate surrogate over a…

cs.AI2026

Harbor Adapters and Harbor-Index: Infrastructure and a Curated Meta-Dataset for Large-Scale Agentic Evaluation

Lin Shi, Haowei Lin, Zixuan Zhu +123

Evaluating agents on the growing number of agentic benchmarks is challenging because they often require complex environments and agent integrations. We introduce Harbor Adapters, a…

cs.CL2026

Test-Time Scaling for Scientific Equation Discovery

Haowei Lin, Hubert Lim, Xiangyu Wang +2

Test-time scaling (TTS) improves language model reasoning by allocating additional test-time compute, but prior work mainly studies closed-ended tasks such as math and coding. We s…

math.CO2026

Settling the Optimal Exponent Relating Sumsets and Difference Sets

Haowei Lin, Shanda Li

For a finite nonempty subset of an abelian group, let and . The classical sum-difference inequalities state that $$σ(A)^{1/2}\leqδ(A)\leqσ(A)^2…

cs.LG2026

Spend Less, Fit Better: Budget-Efficient Scaling Law Fitting via Active Experiment Selection

Sijie Li, Shanda Li, Haowei Lin +3

Scaling laws are used to plan multi-million-dollar training runs, but fitting those laws can itself cost millions. In modern large-scale workflows, assembling a sufficiently inform…

cs.LG2026

Structured Scaling of AI Discovery Across Diverse Scientific Domains

Haotian Ye, Haowei Lin, Jingyi Tang +30

Scientific discovery often requires many cycles of proposing, testing, and refining candidate solutions. Language models can increasingly participate in these loops, but simply gen…

cs.LG2025★ 1 cited

Peptide2Mol: A Diffusion Model for Generating Small Molecules as Peptide Mimics for Targeted Protein Binding

Xinheng He, Yijia Zhang, Haowei Lin +4

Structure-based drug design has seen significant advancements with the integration of artificial intelligence (AI), particularly in the generation of hit and lead compounds. Howeve…

cs.LG2025

Can Language Models Discover Scaling Laws?

Haowei Lin, Haotian Ye, Wenzheng Feng +8

Discovering scaling laws for predicting model performance at scale is a fundamental and open-ended challenge, mostly reliant on slow, case specific human experimentation. To invest…

cs.LG2025

Inference-time Scaling of Diffusion Models through Classical Search

Xiangcheng Zhang, Haowei Lin, Haotian Ye +4

Classical search algorithms have long underpinned modern artificial intelligence. In this work, we tackle the challenge of inference-time control in diffusion models -- adapting ge…

cs.CL2025

Generative Evaluation of Complex Reasoning in Large Language Models

Haowei Lin, Xiangyu Wang, Ruilin Yan +7

With powerful large language models (LLMs) demonstrating superhuman reasoning capabilities, a critical question arises: Do LLMs genuinely reason, or do they merely recall answers f…

cs.CL2025

Efficient and Asymptotically Unbiased Constrained Decoding for Large Language Models

Haotian Ye, Himanshu Jain, Chong You +4

In real-world applications of large language models, outputs are often required to be confined: selecting items from predefined product or document sets, generating phrases that co…

q-bio.BM2025

Integrating Protein Dynamics into Structure-Based Drug Design via Full-Atom Stochastic Flows

Xiangxin Zhou, Yi Xiao, Haowei Lin +7

The dynamic nature of proteins, influenced by ligand interactions, is essential for comprehending protein function and progressing drug discovery. Traditional structure-based drug…

astro-ph.SR2025

A Neural Symbolic Model for Space Physics

Jie Ying, Haowei Lin, Chao Yue +7

In this study, we unveil a new AI model, termed PhyE2E, to discover physical formulas through symbolic regression. PhyE2E simplifies symbolic regression by decomposing it into sub-…

cs.LG2025

TFG-Flow: Training-free Guidance in Multimodal Generative Flow

Haowei Lin, Shanda Li, Haotian Ye +4

Given an unconditional generative model and a predictor for a target property (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target…