activity
20242026
most citedSynthFormer: Equivariant Pharmacophore-based Generation of Synthesizable Molecules for Ligand-Based Drug Design

1 citations · 1 across the 8 of their papers we have counts for

collaborators

9 papers

cs.LG2026

Learning Dynamics of Logits Debiasing for Long-Tailed Semi-Supervised Learning

Yue Cheng, Jiajun Zhang, Xiaohui Gao +2

Long-tailed distributions are prevalent in real-world semi-supervised learning (SSL), where pseudo-labels tend to favor majority classes, leading to degraded generalization. While…

cs.LG2026

When Autoregressive Consistency Hurts Safety Alignment

Bochen Lyu, Yiyang Jia, Xiaohao Cai +1

Safety alignment in large language models (LLMs) is fragile in part because it is often shallow: fine-tuning mainly reshapes the model's behavior near the first few output tokens.…

cs.AI2026

Mechanistically Interpreting the Role of Sample Difficulty in RLVR for LLMs

Yue Cheng, Jiajun Zhang, Xiaohui Gao +3

Reinforcement Learning with Verifiable Reward (RLVR) is empirically shown to notably enhance the reasoning performance of large language models (LLMs), particularly in mathematics…

cs.LG2025

Efficient Linear Attention for Multivariate Time Series Modeling via Entropy Calibration

Mingtao Zhang, Guoli Yang, Zhanxing Zhu +2

Attention mechanisms are effective for multivariate time series modeling because they adaptively aggregate information across timestamps and variables. Their quadratic cost, howeve…

cs.LG2025

Transformers with RL or SFT Provably Learn Sparse Boolean Functions, But Differently

Bochen Lyu, Yiyang Jia, Xiaohao Cai +1

Transformers can acquire Chain-of-Thought (CoT) capabilities to solve reasoning tasks via fine-tuning. Reinforcement learning (RL) and supervised fine-tuning (SFT) are two primary…

cs.CV2025

D2R: dual regularization loss with collaborative adversarial generation for model robustness

Zhenyu Liu, Huizhi Liang, Rajiv Ranjan +3

The robustness of Deep Neural Network models is crucial for defending models against adversarial attacks. Recent defense methods have employed collaborative learning frameworks to…

cs.LG2025

Heavy-Ball Momentum Method in Continuous Time and Discretization Error Analysis

Bochen Lyu, Xiaojing Zhang, Fangyi Zheng +3

This paper establishes a continuous time approximation, a piece-wise continuous differential equation, for the discrete Heavy-Ball (HB) momentum method with explicit discretization…

cs.LG2024★ 1 cited

SynthFormer: Equivariant Pharmacophore-based Generation of Synthesizable Molecules for Ligand-Based Drug Design

Zygimantas Jocys, Zhanxing Zhu, Henriette M. G. Willems +1

Drug discovery is a complex, resource-intensive process requiring significant time and cost to bring new medicines to patients. Many generative models aim to accelerate drug discov…

cs.LG2024

Memory-Efficient Gradient Unrolling for Large-Scale Bi-level Optimization

Qianli Shen, Yezhen Wang, Zhouhao Yang +6

Bi-level optimization (BO) has become a fundamental mathematical framework for addressing hierarchical machine learning problems. As deep learning models continue to grow in size,…