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The observed similarities in the behavior of humans and Large Language Models (LLMs) have prompted researchers to consider the potential of using LLMs as models of human cognition. However, several significant challenges must be addressed…

Behavioral model diagrams, e.g., sequence diagrams, are an essential form of documentation that are typically designed by system engineers from requirements documentation, either fully manually or assisted by design tools. With the growing…

Large Language Models (LLMs) have revolutionised the field of Natural Language Processing (NLP) and have achieved state-of-the-art performance in practically every task in this field. However, the prevalent approach used in text generation,…

Learning to predict masked tokens in a sequence has been shown to be a helpful pretraining objective for powerful language models such as PaLM2. After training, such masked language models (MLMs) can provide distributions of tokens in the…

We present a perspective on molecular machine learning (ML) in the field of chemical process engineering. Recently, molecular ML has demonstrated great potential in (i) providing highly accurate predictions for properties of pure components…

Large language models (LLMs) have demonstrated exceptional performance across a wide range of natural language tasks. However, selecting the optimal LLM to respond to a user query often necessitates a delicate balance between performance…

Recovering the structure of causal graphical models from observational data is an essential yet challenging task for causal discovery in scientific scenarios. Domain-specific causal discovery usually relies on expert validation or prior…

Chain-of-Thought (CoT) prompting has emerged as a powerful approach to enhancing the reasoning capabilities of Large Language Models (LLMs). However, existing implementations, such as in-context learning and fine-tuning, remain costly and…

Multimodal Large Models (MLMs) are becoming a significant research focus, combining powerful large language models with multimodal learning to perform complex tasks across different data modalities. This review explores the latest…

Multimodal Large Language Models (MLLMs) are renowned for their superior instruction-following and reasoning capabilities across diverse problem domains. However, existing benchmarks primarily focus on assessing factual and logical…

Large Language Models (LLMs) face significant accuracy degradation due to insufficient reasoning ability when dealing with complex and abstract tasks. Thought structures such as Chain of Thought (CoT) and Tree of Thought (ToT) focus on…

The advent of Large Language Models (LLMs) has fundamentally reshaped the way we interact with graphs, giving rise to a new paradigm called GraphLLM. As revealed in recent studies, graph learning can benefit from LLMs. However, we observe…

Large Language Models (LLMs) have gained popularity in task planning for long-horizon manipulation tasks. To enhance the validity of LLM-generated plans, visual demonstrations and online videos have been widely employed to guide the…

Recent advancements in Multimodal Large Language Models (MLLMs) have significantly enhanced cross-modal understanding and reasoning by incorporating Chain-of-Thought (CoT) reasoning in the semantic space. Building upon this, recent studies…

As an essential attribute of organic compounds, polarity has a profound influence on many molecular properties such as solubility and phase transition temperature. Thin layer chromatography (TLC) represents a commonly used technique for…

A large amount of work has been done in Multi-Agent Systems (MAS) for modeling and solving problems with multiple interacting agents. However, most LLMs are pretrained independently and not specifically optimized for coordination. Existing…

Recently, Multimodal Large Language Model (MLLM) represented by GPT-4V has been a new rising research hotspot, which uses powerful Large Language Models (LLMs) as a brain to perform multimodal tasks. The surprising emergent capabilities of…

The rapid advancement of Large Language Models (LLMs) has opened new possibilities in Multi-Robot Systems (MRS), enabling enhanced communication, task allocation and planning, and human-robot interaction. Unlike traditional single-robot and…

Multimodal molecular representation learning, which jointly models molecular graphs and their textual descriptions, enhances predictive accuracy and interpretability by enabling more robust and reliable predictions of drug toxicity,…

Pretrained language models (LMs) showcase significant capabilities in processing molecular text, while concurrently, message passing neural networks (MPNNs) demonstrate resilience and versatility in the domain of molecular science. Despite…