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Nianzu Yang

10 accepted papers

2025

CAPability: A Comprehensive Visual Caption Benchmark for Evaluating Both Correctness and Thoroughness

NeurIPS 2025poster

Visual captioning benchmarks have become outdated with the emergence of modern multimodal large language models (MLLMs), as the brief ground-truth sentences and traditional metrics fail to assess detailed captions effectively. While recent benchmarks attempt to address this by focusing on keyword ex…

Cited by 0SourceScholar
2025

DSBRouter: End-to-end Global Routing via Diffusion Schr\"{o}dinger Bridge

ICML 2025poster

Global routing (GR) is a fundamental task in modern chip design and various learning techniques have been devised. However, a persistent challenge is the inherent lack of a mechanism to guarantee the routing connectivity in network's prediction results, necessitating post-processing search or reinfo…

Cited by 0SourcePDFScholar
2025

Repurposing AlphaFold3-like Protein Folding Models for Antibody Sequence and Structure Co-design

NeurIPS 2025poster

Diffusion models hold great potential for accelerating antibody design, but their performance is so far limited by the number of antibody-antigen complexes used for model training. Meanwhile, AlphaFold3-like protein folding models, pre-trained on a large corpus of crystal structures, have acquired a…

Cited by 3SourceScholar
2025

Unify ML4TSP: Drawing Methodological Principles for TSP and Beyond from Streamlined Design Space of Learning and Search

ICLR 2025poster

Despite the rich works on machine learning (ML) for combinatorial optimization (CO), a unified, principled framework remains lacking. This study utilizes the Travelling Salesman Problem (TSP) as a major case study, with adaptations demonstrated for other CO problems, dissecting established mainstrea…

Cited by 2SourcePDFScholar
2024

EBMDock: Neural Probabilistic Protein-Protein Docking via a Differentiable Energy Model

ICLR 2024poster

Protein complex formation, a pivotal challenge in contemporary biology, has recently gained interest from the machine learning community, particularly concerning protein-ligand docking tasks. In this paper, we delve into the equally crucial but comparatively under-investigated domain of protein-prot…

Cited by 10SourcePDFScholar
2024

MorphGrower: A Synchronized Layer-by-layer Growing Approach for Plausible Neuronal Morphology Generation

ICML 2024oral

Neuronal morphology is essential for studying brain functioning and understanding neurodegenerative disorders. As acquiring real-world morphology data is expensive, computational approaches for morphology generation have been studied. Traditional methods heavily rely on expert-set rules and paramete…

2024

SSL4Q: Semi-Supervised Learning of Quantum Data with Application to Quantum State Classification

ICML 2024poster

The accurate classification of quantum states is crucial for advancing quantum computing, as it allows for the effective analysis and correct functioning of quantum devices by analyzing the statistics of the data from quantum measurements. Traditional supervised methods, which rely on extensive labe…

Cited by 2SourcePDFScholar
2024

Towards LLM4QPE: Unsupervised Pretraining of Quantum Property Estimation and A Benchmark

ICLR 2024spotlight

Estimating the properties of quantum systems such as quantum phase has been critical in addressing the essential quantum many-body problems in physics and chemistry. Deep learning models have been recently introduced to property estimation, surpassing conventional statistical approaches. However, t…

Cited by 3SourcePDFScholar
2022

Learning Substructure Invariance for Out-of-Distribution Molecular Representations

NeurIPS 2022accept

Molecule representation learning (MRL) has been extensively studied and current methods have shown promising power for various tasks, e.g., molecular property prediction and target identification. However, a common hypothesis of existing methods is that either the model development or experimental…

2021

Learning Self-Modulating Attention in Continuous Time Space with Applications to Sequential Recommendation

ICML 2021spotlight

User interests are usually dynamic in the real world, which poses both theoretical and practical challenges for learning accurate preferences from rich behavior data. Among existing user behavior modeling solutions, attention networks are widely adopted for its effectiveness and relative simplicity.…