Publications (24)
Can Current Agents Close the Discovery-to-Application Gap? A Case Study in Minecraft
Zhou Ziheng, Huacong Tang, Jinyuan Zhang +9
Discovering causal regularities and applying them to build functional systems--the discovery-to-application loop--is a hallmark of general intelligence, yet evaluating this capacit…
Over-smoothing Effect of Graph Convolutional Networks
Fang Sun
Over-smoothing is a severe problem which limits the depth of Graph Convolutional Networks. This article gives a comprehensive analysis of the mechanism behind Graph Convolutional N…
Topological Symmetries of R^3
Slawomir Kwasik, Fang Sun
If a finite group acts topologically, faithfully and orientation preservingly on R^3, then it is isomorphic to a subgroup of SO(3).
FD-Bench: A Modular and Fair Benchmark for Data-driven Fluid Simulation
Haixin Wang, Ruoyan Li, Fred Xu +7
Data-driven modeling of fluid dynamics has advanced rapidly with neural PDE solvers, yet a fair and strong benchmark remains fragmented due to the absence of unified PDE datasets a…
Minimal Solutions for Relative Pose with a Single Affine Correspondence
Banglei Guan, Ji Zhao, Zhang Li +2
In this paper we present four cases of minimal solutions for two-view relative pose estimation by exploiting the affine transformation between feature points and we demonstrate eff…
Persistence of sub-chain groups
Fang Sun, Shengwen Xie, Xuezhi Zhao
In this work, we present a generalization of extended persistent homology to filtrations of graded sub-groups by defining relative homology in this setting. Our work provides a mor…
On the unsplittable minimal zero-sum sequences over finite cyclic groups of prime order
Jiangtao Peng, Fang Sun
Let be a prime and let be a cyclic group of order . Let be a minimal zero-sum sequence with elements over , i.e., the sum of elements in is zero, but no…
How visual discomfort changes with horizontal viewing angle on stereoscopic display
Yaohua Xie, Danli Wang, Fang Sun
When viewing stereoscopic displays, people may not always be able to stay exactly in front of the display. It is known that viewing stereoscopic display from different vertical ang…
Manifolds with the fixed point property and their squares
Slawomir Kwasik, Fang Sun
The Cartesian squares (powers) of manifolds with the fixed point property (f.p.p.) are considered. Examples of manifolds with the f.p.p. are constructed whose symmetric squares fai…
RetroAgent: Harnessing LLMs to Search Over Structured Memory for Agentic Retrosynthesis Planning
Yanqiao Zhu, Jingru Gan, Xiaoqi Sun +8
RetroAgent is an LLM-based agent that uses structured memory to integrate symbolic search and neural reasoning for multi-step retrosynthesis planning, enabling informed decisions a…
Graph Fourier Neural ODEs: Modeling Spatial-temporal Multi-scales in Molecular Dynamics
Fang Sun, Zijie Huang, Haixin Wang +4
Accurately predicting long-horizon molecular dynamics (MD) trajectories remains a significant challenge, as existing deep learning methods often struggle to retain fidelity over ex…
GraphVF: Controllable Protein-Specific 3D Molecule Generation with Variational Flow
Fang Sun, Zhihao Zhan, Hongyu Guo +2
Designing molecules that bind to specific target proteins is a fundamental task in drug discovery. Recent models leverage geometric constraints to generate ligand molecules that bi…
An elementary proof for Poincare Duality with local coefficients
Fang Sun
An proof of Poincare Duality with local coefficients and with compact support is provided. The proof does not require Sheaf Theory or anything equivalent and is thus more accessibl…
Isotopy Uniqueness of Self-diffeomorphism of Handlebodies
Fang Sun, Xuezhi Zhao
The mapping class group of a surface of genus has a long-history in topology and group theory. More recently, the mapping class group of a handlebody $V_…
Accelerating Time Series Foundation Models with Speculative Decoding
Pranav Subbaraman, Fang Sun, Yue Yao +3
Modern web applications--from real-time content recommendation and dynamic pricing to CDN optimization--increasingly rely on time-series forecasting to deliver personalized experie…
Enhancing Document-Level Question Answering via Multi-Hop Retrieval-Augmented Generation with LLaMA 3
Xinyue Huang, Ziqi Lin, Fang Sun +3
This paper presents a novel Retrieval-Augmented Generation (RAG) framework tailored for complex question answering tasks, addressing challenges in multi-hop reasoning and contextua…
Automated Molecular Concept Generation and Labeling with Large Language Models
Zimin Zhang, Qianli Wu, Botao Xia +4
Artificial intelligence (AI) is transforming scientific research, with explainable AI methods like concept-based models (CMs) showing promise for new discoveries. However, in molec…
Topological Symmetries of R^3, II
Fang Sun
If a fintie group G acts topologically and faithfully on R^3, then G is a subgroup of O(3)
DisenPOI: Disentangling Sequential and Geographical Influence for Point-of-Interest Recommendation
Yifang Qin, Yifan Wang, Fang Sun +6
Point-of-Interest (POI) recommendation plays a vital role in various location-aware services. It has been observed that POI recommendation is driven by both sequential and geograph…
Why Are We Moral? An LLM-based Agent Simulation Approach to Study Moral Evolution
Zhou Ziheng, Huacong Tang, Mingjie Bi +7
The evolution of morality presents a puzzle: natural selection should favor self-interest, yet humans developed moral systems promoting altruism. Traditional approaches must abstra…
CORGI: GNNs with Convolutional Residual Global Interactions for Lagrangian Simulation
Ethan Ji, Yuanzhou Chen, Arush Ramteke +5
Partial differential equations (PDEs) are central to dynamical systems modeling, particularly in hydrodynamics, where traditional solvers often struggle with nonlinearity and compu…
Local Coefficients Revisited
Slawomir Kwasik, Fang Sun
Two simple "simplicial approximation" tricks are invoked to prove basic results involving (co)-homology with local coefficients.
DMamba: Decomposition-enhanced Mamba for Time Series Forecasting
Ruxuan Chen, Fang Sun
State Space Models (SSMs), particularly Mamba, have shown potential in long-term time series forecasting. However, existing Mamba-based architectures often struggle with datasets c…
A Comprehensive Survey on Deep Graph Representation Learning
Wei Ju, Zheng Fang, Yiyang Gu +13
Graph representation learning aims to effectively encode high-dimensional sparse graph-structured data into low-dimensional dense vectors, which is a fundamental task that has been…