Related papers: Protect$^*$: Steerable Retrosynthesis through Neur…

Large Language Models have found success in a variety of applications. However, their safety remains a concern due to the existence of various jailbreaking methods. Despite significant efforts, alignment and safety fine-tuning only provide…

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…

The performance of modern machine learning systems depends on access to large, high-quality datasets, often sourced from user-generated content or proprietary, domain-specific corpora. However, these rich datasets inherently contain…

The vast number of parameters in large language models (LLMs) endows them with remarkable capabilities, allowing them to excel in a variety of natural language processing tasks. However, this complexity also presents challenges, making LLMs…

Large Language Models (LLMs) have succeeded remarkably in various natural language processing (NLP) tasks, yet their reasoning capabilities remain a fundamental challenge. While LLMs exhibit impressive fluency and factual recall, their…

Large Language Models (LLMs) often generate inconsistent responses when prompted with semantically equivalent paraphrased inputs. Recently, activation steering, a technique that modulates LLMs' behaviours by adjusting their latent…

Large Language Models (LLMs) have demonstrated impressive capabilities, yet their deployment in high-stakes domains is hindered by inherent limitations in trustworthiness, including hallucinations, instability, and a lack of transparency.…

There is considerable confusion about the role of Large Language Models (LLMs) in planning and reasoning tasks. On one side are over-optimistic claims that LLMs can indeed do these tasks with just the right prompting or self-verification…

Structured reasoning over natural language inputs remains a core challenge in artificial intelligence, as it requires bridging the gap between unstructured linguistic expressions and formal logical representations. In this paper, we propose…

Complex logical reasoning tasks require a long sequence of reasoning, which a large language model (LLM) with chain-of-thought prompting still falls short. To alleviate this issue, neurosymbolic approaches incorporate a symbolic solver.…

Large Language Models (LLMs) can aid synthesis planning in chemistry, but standard prompting methods often yield hallucinated or outdated suggestions. We study LLM interactions with a reaction knowledge graph by casting reaction path…

Large Language Models (LLMs) are increasingly applied to automate software engineering tasks, including the generation of UML class diagrams from natural language descriptions. While prior work demonstrates that LLMs can produce…

Designing therapeutic peptides with tailored properties is hindered by the vastness of sequence space, limited experimental data, and poor interpretability of current generative models. To address these challenges, we introduce PepThink-R1,…

While machine learning has transformed polymer design by enabling rapid property prediction and candidate generation, translating these designs into experimentally realizable materials remains a critical challenge. Traditionally, the…

Large Language Models (LLMs) show promise for automated code repair but often struggle with the complex semantic and structural correctness required. We present SynthFix, a hybrid neural-symbolic framework that improves LLM-based…

Large language models (LLMs) are useful tools with the capacity for performing specific types of knowledge work at an effective scale. However, LLM deployments in high-risk and safety-critical domains pose unique challenges, notably the…

An increasing amount of research in Natural Language Inference (NLI) focuses on the application and evaluation of Large Language Models (LLMs) and their reasoning capabilities. Despite their success, however, LLMs are still prone to factual…

Recent Large Language Models (LLMs) have reported high accuracy on reasoning benchmarks. However, it is still unclear whether the observed results arise from true reasoning or from statistical recall of the training set. Inspired by the…

Replicating human-level intelligence in the execution of embodied tasks remains challenging due to the unconstrained nature of real-world environments. Novel use of large language models (LLMs) for task planning seeks to address the…

The widespread adoption of Large Language Models (LLMs), exemplified by OpenAI's ChatGPT, brings to the forefront the imperative to defend against adversarial threats on these models. These attacks, which manipulate an LLM's output by…