Goto

Collaborating Authors

 interaction pattern


Learning Crossmodal Interaction Patterns via Attributed Bipartite Graphs for Single-Cell Omics

Neural Information Processing Systems

Crossmodal matching in single-cell omics is essential for explaining biological regulatory mechanisms and enhancing downstream analyses. However, current single-cell crossmodal models often suffer from three limitations: sparse modality signals, underutilization of biological attributes, and insufficient modeling of regulatory interactions. These challenges hinder generalization in data-scarce settings and restrict the ability to uncover fine-grained biologically meaningful crossmodal relationships. Here, we present a novel framework which reformulates crossmodal matching as a graph classification task on Attributed Bipartite Graphs (ABGs). It models single-cell ATAC-RNA data as an ABG, where each expressed ATAC and RNA is treated as a distinct node with unique IDs and biological features. To model crossmodal interaction patterns on the constructed ABG, we propose Bi2Former, a biologically-driven bipartite graph transformer that learns interpretable attention over ATAC-RNA pairs. This design enables the model to effectively learn and explain biological regulatory relationships between ATAC and RNA modalities. Extensive experiments demonstrate that Bi2Former achieves state-of-the-art performance in crossmodal matching across diverse datasets, remains robust under sparse training data, generalizes to unseen cell types and datasets, and reveals biologically meaningful regulatory patterns.


8gpx: HCDR36mjz: Protein2gkw: Peptide Interface Alignment

Neural Information Processing Systems

Designing protein binders targeting specific sites, which requires to generate realistic and functional interaction patterns, is a fundamental challenge in drug discovery. Current structure-based generative models are limited in generating nterfaces with sufficient rationality and interpretability. In this paper, we propose Retrieval-Augmented Diffusion for Aligned interface(RADiAnce), a new framework that leverages known interfaces to guide the design of novel binders. By unifying retrieval and generation in a shared contrastive latent space, our model efficiently identifies relevant interfaces for a given binding site and seamlessly integrates them through a conditional latent diffusion generator, enabling crossdomain interface transfer. Extensive exeriments show that RADiAnce significantly outperforms baseline models across multiple metrics, including binding affinity and recovery of geometries and interactions. Additional experimental results validate cross-domain generalization, demonstrating that retrieving interfaces from diverse domains, such as peptides, antibodies, and protein fragments, enhances the generation performance of binders for other domains. Our work establishes a new paradigm for protein binder design that successfully bridges retrieval-based knowledge and generative AI, opening new possibilities for drug discovery.


HyperMixup: Hypergraph-Augmented with Higher-order Information Mixup

Neural Information Processing Systems

Hypergraph neural networks (HGNNs) have demonstrated remarkable success in learning from such higher-order relational data. While such higher-order modeling enhances relational reasoning, the effectiveness of hypergraph learning remains bottlenecked by two persistent challenges: the scarcity of labeled data inherent to complex systems, and the vulnerability to structural noise in real-world interaction patterns. Traditional data augmentation methods, though successful in Euclidean and graph-structured domains, struggle to preserve the intricate balance between node features and hyperedge semantics, often disrupting the very group-wise interactions that define hypergraph value. To bridge this gap, we present HyperMixup, a hypergraph-aware augmentation framework that preserves higher-order interaction patterns through structure-guided feature mixing. Specifically, HyperMixup contains three critical components: 1) Structure-aware node pairing guided by joint feature-hyperedge similarity metrics, 2) Context-enhanced hierarchical mixing that preserves hyperedge semantics through dual-level feature fusion, and 3) Adaptive topology reconstruction mechanisms that maintain hypergraph consistency while enabling controlled diversity expansion. Theoretically, we establish that our method induces hypergraph-specific regularization effects through gradient alignment with hyperedge covariance structures, while providing robustness guarantees against combined node-hyperedge perturbations. Comprehensive experiments across diverse hypergraph learning tasks demonstrate consistent performance improvements over state-of-the-art baselines, with particular effectiveness in low-label regimes. The proposed framework advances hypergraph representation learning by unifying data augmentation with higher-order topological constraints, offering both practical utility and theoretical insights for relational machine learning.



Examining Student Interactions with a Pedagogical AI-Assistant for Essay Writing and their Impact on Students Writing Quality

arXiv.org Artificial Intelligence

The dynamic nature of interactions between students and GenAI, as well as their relationship to writing quality, remains underexplored. While most research has examined how general-purpose GenAI can support writing, fewer studies have investigated how students interact with pedagogically designed systems across different phases of the writing process. To address this gap, we evaluated a GenAI-driven essay-writing assistant (EWA) designed to support higher education students in argumentative writing. Drawing on 1,282 interaction logs from 32 undergraduates during a two-hour writing session, Sequential Pattern Mining and K-Means clustering were used to identify behavioral patterns. Two clusters emerged: Cluster 1 emphasized outline planning and essay structure, while Cluster 2 focused on content development. A Mann-Whitney U test revealed a moderate effect size (r = 0.36) in the essay Organization dimension, with Cluster 1 showing higher scores. Qualitative analysis indicated that students with better performance actively wrote and shared essay sections with EWA for feedback, rather than interacted passively by asking questions. These findings suggest implications for teaching and system design. Teachers can encourage active engagement, while future EWAs may integrate automatic labeling and monitoring to prompt students to move from questioning to writing, enabling fuller benefits from GenAI-supported learning.


Data-driven Exploration of Mobility Interaction Patterns

arXiv.org Artificial Intelligence

Understanding the movement behaviours of individuals and the way they react to the external world is a key component of any problem that involves the modelling of human dynamics at a physical level. In particular, it is crucial to capture the influence that the presence of an individual can have on the others. Important examples of applications include crowd simulation and emergency management, where the simulation of the mass of people passes through the simulation of the individuals, taking into consideration the others as part of the general context. While existing solutions basically start from some preconceived behavioural model, in this work we propose an approach that starts directly from the data, adopting a data mining perspective. Our method searches the mobility events in the data that might be possible evidences of mutual interactions between individuals, and on top of them looks for complex, persistent patterns and time evolving configurations of events. The study of these patterns can provide new insights on the mechanics of mobility interactions between individuals, which can potentially help in improving existing simulation models. We instantiate the general methodology on two real case studies, one on cars and one on pedestrians, and a full experimental evaluation is performed, both in terms of performances, parameter sensitivity and interpretation of sample results.


FAR: Function-preserving Attention Replacement for IMC-friendly Inference

arXiv.org Artificial Intelligence

While transformers dominate modern vision and language models, their attention mechanism remains poorly suited for in-memory computing (IMC) devices due to intensive activation-to-activation multiplications and non-local memory access, leading to substantial latency and bandwidth overhead on ReRAM-based accelerators. To address this mismatch, we propose FAR, a Function-preserving Attention Replacement framework that substitutes all attention in pretrained DeiTs with sequential modules inherently compatible with IMC dataflows. Specifically, FAR replaces self-attention with a multi-head bidirectional LSTM architecture via block-wise distillation to retain functional equivalence while enabling linear-time computation and localized weight reuse. We further incorporate structured pruning on FAR models, enabling flexible adaptation to resource-constrained IMC arrays while maintaining functional fidelity. Evaluations on the DeiT family demonstrate that FAR maintains comparable accuracy to the original attention-based models on ImageNet and multiple downstream tasks with reduced parameters and latency. Further analysis shows that FAR preserves the semantic token relationships learned by attention while improving computational efficiency, highlighting its potential for energy-efficient transformer inference on IMC-based edge accelerators.


ForeRobo: Unlocking Infinite Simulation Data for 3D Goal-driven Robotic Manipulation

arXiv.org Artificial Intelligence

Efficiently leveraging simulation to acquire advanced manipulation skills is both challenging and highly significant. We introduce \textit{ForeRobo}, a generative robotic agent that utilizes generative simulations to autonomously acquire manipulation skills driven by envisioned goal states. Instead of directly learning low-level policies, we advocate integrating generative paradigms with classical control. Our approach equips a robotic agent with a self-guided \textit{propose-generate-learn-actuate} cycle. The agent first proposes the skills to be acquired and constructs the corresponding simulation environments; it then configures objects into appropriate arrangements to generate skill-consistent goal states (\textit{ForeGen}). Subsequently, the virtually infinite data produced by ForeGen are used to train the proposed state generation model (\textit{ForeFormer}), which establishes point-wise correspondences by predicting the 3D goal position of every point in the current state, based on the scene state and task instructions. Finally, classical control algorithms are employed to drive the robot in real-world environments to execute actions based on the envisioned goal states. Compared with end-to-end policy learning methods, ForeFormer offers superior interpretability and execution efficiency. We train and benchmark ForeFormer across a variety of rigid-body and articulated-object manipulation tasks, and observe an average improvement of 56.32\% over the state-of-the-art state generation models, demonstrating strong generality across different manipulation patterns. Moreover, in real-world evaluations involving more than 20 robotic tasks, ForeRobo achieves zero-shot sim-to-real transfer and exhibits remarkable generalization capabilities, attaining an average success rate of 79.28\%.


Latent Retrieval Augmented Generation of Cross-Domain Protein Binders

arXiv.org Artificial Intelligence

Designing protein binders targeting specific sites, which requires to generate realistic and functional interaction patterns, is a fundamental challenge in drug discovery. Current structure-based generative models are limited in generating nterfaces with sufficient rationality and interpretability. In this paper, we propose Retrieval-Augmented Diffusion for Aligned interface (RADiAnce), a new framework that leverages known interfaces to guide the design of novel binders. By unifying retrieval and generation in a shared contrastive latent space, our model efficiently identifies relevant interfaces for a given binding site and seamlessly integrates them through a conditional latent diffusion generator, enabling cross-domain interface transfer. Extensive exeriments show that RADiAnce significantly outperforms baseline models across multiple metrics, including binding affinity and recovery of geometries and interactions. Additional experimental results validate cross-domain generalization, demonstrating that retrieving interfaces from diverse domains, such as peptides, antibodies, and protein fragments, enhances the generation performance of binders for other domains. Our work establishes a new paradigm for protein binder design that successfully bridges retrieval-based knowledge and generative AI, opening new possibilities for drug discovery.