Related papers: Could Chemical LLMs benefit from Message Passing

Since the advent of Federated Learning (FL), research has applied these methods to natural language processing (NLP) tasks. Despite a plethora of papers in FL for NLP, no previous works have studied how multilingual text impacts FL…

Machine learning (ML) is a promising enabler for the fifth generation (5G) communication systems and beyond. By imbuing intelligence into the network edge, edge nodes can proactively carry out decision-making, and thereby react to local…

Reinforcement learning (RL) is a promising approach for aligning large language models (LLMs) knowledge with sequential decision-making tasks. However, few studies have thoroughly investigated the impact on LLM agents capabilities of…

The expressive power of message-passing graph neural networks (MPNNs) is reasonably well understood, primarily through combinatorial techniques from graph isomorphism testing. However, MPNNs' generalization abilities -- making meaningful…

Large vision-language models (LVLMs) perform outstandingly across various multimodal tasks. However, their ability to evaluate generated content remains limited, and training vision-language reward models (VLRMs) with preference data is…

Large language models (LLMs) are transforming how students learn by providing readily available tools that can quickly augment or complete various learning activities with non-trivial performance. Similar paradigm shifts have occurred in…

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Large Language Models (LLMs) are known for their expensive and time-consuming training. Thus, oftentimes, LLMs are fine-tuned to address a specific task, given the pretrained weights of a pre-trained LLM considered a foundation model. In…

Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models is the ability to accurately understand molecular structures,…

Multimodal deep learning (MDL) has emerged as a transformative approach in computational pathology. By integrating complementary information from multiple data sources, MDL models have demonstrated superior predictive performance across…

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs…

Heterogeneous graph neural networks (HGNNs) have demonstrated their superiority in exploiting auxiliary information for recommendation tasks. However, graphs constructed using meta-paths in HGNNs are usually too dense and contain a large…

Molecular representation is a critical element in our understanding of the physical world and the foundation for modern molecular machine learning. Previous molecular machine learning models have employed strings, fingerprints, global…

Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still struggle to reason using molecular structural information.…

Large Language Models (LLMs) have shown great promise in multilingual machine translation (MT), even with limited bilingual supervision. However, fine-tuning LLMs with parallel corpora presents major challenges, namely parameter…

Hypergraphs are vital in modelling data with higher-order relations containing more than two entities, gaining prominence in machine learning and signal processing. Many hypergraph neural networks leverage message passing over hypergraph…

Understanding how Transformer-based Language Models (LMs) learn and recall information is a key goal of the deep learning community. Recent interpretability methods project weights and hidden states obtained from the forward pass to the…

Since the rise of Large Language Models (LLMs) a couple of years ago, researchers in metaheuristics (MHs) have wondered how to use their power in a beneficial way within their algorithms. This paper introduces a novel approach that…

Integrating external knowledge into large language models (LLMs) presents a promising solution to overcome the limitations imposed by their antiquated and static parametric memory. Prior studies, however, have tended to over-reliance on…

With the rapid growth of fintech, personalized financial product recommendations have become increasingly important. Traditional methods like collaborative filtering or content-based models often fail to capture users' latent preferences…