Related papers: G2T-LLM: Graph-to-Tree Text Encoding for Molecule …

While large language models (LLMs) show great potential in temporal reasoning, most existing work focuses heavily on enhancing performance, often neglecting the explainable reasoning processes underlying the results. To address this gap, we…

Large language models (LLMs) have recently taken the world by storm. They can generate coherent text, hold meaningful conversations, and be taught concepts and basic sets of instructions - such as the steps of an algorithm. In this context,…

Drug discovery can be viewed as a combinatorial search over an immense chemical space, motivating the development of deep generative models for de novo molecular design. Among these, GPT-based molecular language models (MLM) have shown…

Objectives. We generate via advanced Deep Learning (DL) techniques artificial leaf images in an automatized way. We aim to dispose of a source of training samples for AI applications for modern crop management. Such applications require…

Graph Neural Networks (GNNs) have evolved to understand graph structures through recursive exchanges and aggregations among nodes. To enhance robustness, self-supervised learning (SSL) has become a vital tool for data augmentation.…

Large Language Models (LLMs), primarily trained on text-based datasets, exhibit exceptional proficiencies in understanding and executing complex linguistic instructions via text outputs. However, they falter when requests to generate…

Despite the superior performance of large language models to generate natural language texts, it is hard to generate texts with correct logic according to a given task, due to the difficulties for neural models to capture implied rules from…

Large Language Models (LLMs), such as GPT, are considered to learn the latent distributions within large-scale web-crawl datasets and accomplish natural language processing (NLP) tasks by predicting the next token. However, this mechanism…

Contemporary graph learning algorithms are not well-defined for large molecules since they do not consider the hierarchical interactions among the atoms, which are essential to determine the molecular properties of macromolecules. In this…

Due to the advantages of hypergraphs in modeling high-order relationships in complex systems, they have been applied to higher-order clustering, hypergraph neural networks and computer vision. These applications rely heavily on access to…

Leveraging Large Language Models (LLMs) for Knowledge Graph Completion (KGC) is promising but hindered by a fundamental granularity mismatch. LLMs operate on fragmented token sequences, whereas entities are the fundamental units in…

Scene graphs offer a structured, hierarchical representation of images, with nodes and edges symbolizing objects and the relationships among them. It can serve as a natural interface for image editing, dramatically improving precision and…

Large language models (LLMs) have recently shown strong potential in modeling relational structures. However, existing approaches remain fundamentally graph-centric: they focus on processing pairwise graph structures into tokens that LLMs…

Temporal Logic (TL) can be used to rigorously specify complex high-level specification for systems in many engineering applications. The translation between natural language (NL) and TL has been under-explored due to the lack of dataset and…

Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Large-scale molecular instruction-tuning datasets have enabled…

A syntactic language model (SLM) incrementally generates a sentence with its syntactic tree in a left-to-right manner. We present Generative Pretrained Structured Transformers (GPST), an unsupervised SLM at scale capable of being…

We consider molecule generation in 3D space using language models (LMs), which requires discrete tokenization of 3D molecular geometries. Although tokenization of molecular graphs exists, that for 3D geometries is largely unexplored. Here,…

While large language models (LLMs) have revolutionized text-to-speech (TTS) synthesis through discrete tokenization paradigms, current architectures exhibit fundamental tensions between three critical dimensions: 1) irreversible loss of…

Combining multiple knowledge graphs (KGs) across linguistic boundaries is a persistent challenge due to semantic heterogeneity and the complexity of graph environments. We propose a framework for cross-lingual graph fusion, leveraging the…

Recently, large language models (LLMs) have been widely researched in the field of graph machine learning due to their outstanding abilities in language comprehension and learning. However, the significant gap between natural language tasks…