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From Top-1 to Top-K: A Reproducibility Study and Benchmarking of Counterfactual Explanations for Recommender Systems Impact of large language models on peer review opinions from a fine-grained perspective: Evidence from top conference proceedings in AI Diagnosable ColBERT: Debugging Late-Interaction Retrieval Models Using a Learned Latent Space as Reference Enhancing Unsupervised Keyword Extraction in Academic Papers through Integrating Highlights with Abstract CAST: Modeling Semantic-Level Transitions for Complementary-Aware Sequential Recommendation IndiaFinBench: An Evaluation Benchmark for Large Language Model Performance on Indian Financial Regulatory Text Think Before Writing: Feature-Level Multi-Objective Optimization for Generative Citation Visibility RARE: Redundancy-Aware Retrieval Evaluation Framework for High-Similarity Corpora Personalized Benchmarking: Evaluating LLMs by Individual Preferences Modular Representation Compression: Adapting LLMs for Efficient and Effective Recommendations JFinTEB: Japanese Financial Text Embedding Benchmark UsefulBench: Towards Decision-Useful Information as a Target for Information Retrieval SIMMER: Cross-Modal Food Image--Recipe Retrieval via MLLM-Based Embedding Rethinking the Necessity of Adaptive Retrieval-Augmented Generation through the Lens of Adaptive Listwise Ranking BioHiCL: Hierarchical Multi-Label Contrastive Learning for Biomedical Retrieval with MeSH Labels Learning Behaviorally Grounded Item Embeddings via Personalized Temporal Contexts Collaborative Filtering Through Weighted Similarities of User and Item Embeddings IG-Search: Step-Level Information Gain Rewards for Search-Augmented Reasoning Metric-agnostic Learning-to-Rank via Boosting and Rank Approximation GenRec: A Preference-Oriented Generative Framework for Large-Scale Recommendation Uncertainty-aware Generative Learning Path Recommendation with Cognition-Adaptive Diffusion CPGRec+: A Balance-oriented Framework for Personalized Video Game Recommendations Don't Retrieve, Navigate: Distilling Enterprise Knowledge into Navigable Agent Skills for QA and RAG NewsTorch: A PyTorch-based Toolkit for Learner-oriented News Recommendation Controlling Authority Retrieval: A Missing Retrieval Objective for Authority-Governed Knowledge APEX-MEM: Agentic Semi-Structured Memory with Temporal Reasoning for Long-Term Conversational AI ID and Graph View Contrastive Learning with Multi-View Attention Fusion for Sequential Recommendation Large Language Models to Enhance Business Process Modeling: Past, Present, and Future Trends Dual-Enhancement Product Bundling: Bridging Interactive Graph and Large Language Model Evaluation of Agents under Simulated AI Marketplace Dynamics
Exploring Optimal Transport-Based Multi-Grained Alignment...
Zijun Min, Bingshuai Liu, Liang Zhang, Jia Song, Jinsong Su, Son · 2024-11-04 · via cs.IR updates on arXiv.org

The field of bioinformatics has seen significant progress, making the cross-modal text-molecule retrieval task increasingly vital. This task focuses on accurately retrieving molecule structures based on textual descriptions, by effectively aligning textual descriptions and molecules to assist researchers in identifying suitable molecular candidates. However, many existing approaches overlook the details inherent in molecule sub-structures. In this work, we introduce the Optimal TRansport-based Multi-grained Alignments model (ORMA), a novel approach that facilitates multi-grained alignments between textual descriptions and molecules. Our model features a text encoder and a molecule encoder. The text encoder processes textual descriptions to generate both token-level and sentence-level representations, while molecules are modeled as hierarchical heterogeneous graphs, encompassing atom, motif, and molecule nodes to extract representations at these three levels. A key innovation in ORMA is the application of Optimal Transport (OT) to align tokens with motifs, creating multi-token representations that integrate multiple token alignments with their corresponding motifs. Additionally, we employ contrastive learning to refine cross-modal alignments at three distinct scales: token-atom, multitoken-motif, and sentence-molecule, ensuring that the similarities between correctly matched text-molecule pairs are maximized while those of unmatched pairs are minimized. To our knowledge, this is the first attempt to explore alignments at both the motif and multi-token levels. Experimental results on the ChEBI-20 and PCdes datasets demonstrate that ORMA significantly outperforms existing state-of-the-art (SOTA) models.