Bridging the Gap Between Molecule and Textual Descriptions via Substructure-aware Alignment

Molecule and text representation learning has gained increasing interest due to its potential for enhancing the understanding of chemical information. However, existing models often struggle to capture subtle differences between molecules and their descriptions, as they lack the ability to learn fine-grained alignments between molecular substructures and chemical phrases. To address this limitation, we introduce MolBridge, a novel molecule-text learning framework based on substructure-aware alignments. Specifically, we augment the original molecule-description pairs with additional alignment signals derived from molecular substructures and chemical phrases. To effectively learn from these enriched alignments, MolBridge employs substructure-aware contrastive learning, coupled with a self-refinement mechanism that filters out noisy alignment signals. Experimental results show that MolBridge effectively captures fine-grained correspondences and outperforms state-of-the-art baselines on a wide range of molecular benchmarks, highlighting the significance of substructure-aware alignment in molecule-text learning.

Zero-shot Commonsense Reasoning over Machine Imagination

Recent approaches to zero-shot commonsense reasoning have enabled Pre-trained Language Models (PLMs) to learn a broad range of commonsense knowledge without being tailored to specific situations. However, they often suffer from human reporting bias inherent in textual commonsense knowledge, leading to discrepancies in understanding between PLMs and humans. In this work, we aim to bridge this gap by introducing an additional information channel to PLMs. We propose Imagine (Machine Imagination-based Reasoning), a novel zero-shot commonsense reasoning framework designed to complement textual inputs with visual signals derived from machine-generated images. To achieve this, we enhance PLMs with imagination capabilities by incorporating an image generator into the reasoning process. To guide PLMs in effectively leveraging machine imagination, we create a synthetic pre-training dataset that simulates visual question-answering. Our extensive experiments on diverse reasoning benchmarks and analysis show that Imagine outperforms existing methods by a large margin, highlighting the strength of machine imagination in mitigating reporting bias and enhancing generalization capabilities.

DIVE: Towards Descriptive and Diverse Visual Commonsense Generation

Towards human-level visual understanding, visual commonsense generation has been introduced to generate commonsense inferences beyond images. However, current research on visual commonsense generation has overlooked an important human cognitive ability: generating descriptive and diverse inferences. In this work, we propose a novel visual commonsense generation framework, called DIVE, which aims to improve the descriptiveness and diversity of generated inferences. DIVE involves two methods, generic inference filtering and contrastive retrieval learning, which address the limitations of existing visual commonsense resources and training objectives. Experimental results verify that DIVE outperforms state-of-the-art models for visual commonsense generation in terms of both descriptiveness and diversity, while showing a superior quality in generating unique and novel inferences. Notably, DIVE achieves human-level descriptiveness and diversity on Visual Commonsense Graphs. Furthermore, human evaluations confirm that DIVE aligns closely with human judgments on descriptiveness and diversity\footnote{Our code and dataset are available at https://github.com/Park-ing-lot/DIVE.