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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…

Large Language Models (LLMs), such as ChatGPT, are increasingly leveraged for generating both traditional software code and spreadsheet logic. Despite their impressive generative capabilities, these models frequently exhibit critical issues…

Software testing is a crucial phase in the software life cycle, helping identify potential risks and reduce maintenance costs. With the advancement of Large Language Models (LLMs), researchers have proposed an increasing number of LLM-based…

Existing tasks fall short in evaluating reasoning ability of Large Language Models (LLMs) in an interactive, unknown environment. This deficiency leads to the isolated assessment of deductive, inductive, and abductive reasoning, neglecting…

We analyze the behaviors of open large language models (LLMs) on the task of data-to-text (D2T) generation, i.e., generating coherent and relevant text from structured data. To avoid the issue of LLM training data contamination with…

Many constructs that characterize language, like its complexity or emotionality, have a naturally continuous semantic structure; a public speech is not just "simple" or "complex," but exists on a continuum between extremes. Although large…

Molecular Relational Learning (MRL) aims to understand interactions between molecular pairs, playing a critical role in advancing biochemical research. With the recent development of large language models (LLMs), a growing number of studies…

Large Language Models (LLMs) have demonstrated remarkable capabilities in code understanding and generation. However, their effectiveness on non-code Software Engineering (SE) tasks remains underexplored. We present 'Software Engineering…

Bridging biomolecular modeling with natural language information, particularly through large language models (LLMs), has recently emerged as a promising interdisciplinary research area. LLMs, having been trained on large corpora of…

The advent of Large Language Models (LLM) has revolutionized the field of natural language processing, enabling significant progress in various applications. One key area of interest is the construction of Knowledge Bases (KB) using these…

The long-standing one-to-many problem of gold standard responses in open-domain dialogue systems presents challenges for automatic evaluation metrics. Though prior works have demonstrated some success by applying powerful Large Language…

We introduce LexBench, a comprehensive evaluation suite enabled to test language models (LMs) on ten semantic phrase processing tasks. Unlike prior studies, it is the first work to propose a framework from the comparative perspective to…

Large Language Models (LLMs) are increasingly integrated into the software engineering ecosystem. Their test-time compute (TTC) reasoning capabilities show significant potential for understanding program logic and semantics beyond mere…

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

Large Language Models (LLMs) have demonstrated impressive capabilities in natural language processing tasks, such as text generation and semantic understanding. However, their performance on numerical reasoning tasks, such as basic…

Large language models (LLMs) are deployed on increasingly complex tasks that require multi-step decision-making. Understanding their algorithmic reasoning abilities is therefore crucial. However, we lack a diagnostic benchmark for…

Despite significant research effort in the development of automatic dialogue evaluation metrics, little thought is given to evaluating dialogues other than in English. At the same time, ensuring metrics are invariant to semantically similar…

Large Language Models (LLMs) have emerged as coding assistants, capable of generating source code from natural language prompts. With the increasing adoption of LLMs in software development, academic research and industry based projects are…

Recent large language models (LLMs) have demonstrated promising capabilities in modeling real-world knowledge and enhancing knowledge-based generation tasks. In this paper, we further explore the potential of using LLMs to aid in the design…

Large language models (LLMs) can perform reasoning computations both internally within their latent space and externally by generating explicit token sequences like chains of thought. Significant progress in enhancing reasoning abilities…