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Retrosynthesis, the process of breaking down a target molecule into simpler precursors through a series of valid reactions, stands at the core of organic chemistry and drug development. Although recent machine learning (ML) research has…
Clinical document classification is essential for converting unstructured medical texts into standardised ICD-10 diagnoses, yet it faces challenges due to complex medical language, privacy constraints, and limited annotated datasets. Large…
Large language models (LLMs) are increasingly used in domains where causal reasoning matters, yet it remains unclear whether their judgments reflect normative causal computation, human-like shortcuts, or brittle pattern matching. We…
Recent advancements in Large Language Models (LLMs) have showcased their ability to perform complex reasoning tasks, but their effectiveness in planning remains underexplored. In this study, we evaluate the planning capabilities of OpenAI's…
Large language models (LLMs) are rapidly changing how researchers in materials science and chemistry discover, organize, and act on scientific knowledge. This paper analyzes a broad set of community-developed LLM applications in an effort…
Large language models (LLMs) have shown remarkable reasoning capabilities given chain-of-thought prompts (examples with intermediate reasoning steps). Existing benchmarks measure reasoning ability indirectly, by evaluating accuracy on…
Recent advances in test-time scaling of large language models (LLMs), exemplified by DeepSeek-R1 and OpenAI's o1, show that extending the chain of thought during inference can significantly improve general reasoning performance. However,…
Predicting cancer treatment outcomes requires models that are both accurate and interpretable, particularly in the presence of heterogeneous clinical data. While large language models (LLMs) have shown strong performance in biomedical NLP,…
Large Language Models (LLMs) have emerged as highly capable systems and are increasingly being integrated into various uses. However, the rapid pace of their deployment has outpaced a comprehensive understanding of their internal mechanisms…
Large language models (LLMs) have demonstrated remarkable proficiency in understanding and generating responses to complex queries through large-scale pre-training. However, the efficacy of these models in memorizing and reasoning among…
Multimodal large language models (MLLMs) are increasingly deployed in open-ended, real-world environments where inputs are messy, underspecified, and not always trustworthy. Unlike curated benchmarks, these settings frequently involve…
Large Language Models (LLMs) have demonstrated potential in predicting mental health outcomes from online text, yet traditional classification methods often lack interpretability and robustness. This study evaluates structured reasoning…
Large language models (LLMs) are increasingly being used in a zero-shot fashion to assess mental health conditions, yet we have limited knowledge on what factors affect their accuracy. In this study, we utilize a clinical dataset of natural…
Enabling Large Language Models (LLMs) to handle a wider range of complex tasks (e.g., coding, math) has drawn great attention from many researchers. As LLMs continue to evolve, merely increasing the number of model parameters yields…
The deployment of Large Language Models (LLMs) in mental health counseling faces the dual challenges of hallucinations and lack of empathy. While the former may be mitigated by RAG (retrieval-augmented generation) by anchoring answers in…
Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…
Large reasoning models (LRMs) like OpenAI o1 and DeepSeek R1 have demonstrated impressive performance on complex reasoning tasks like mathematics and programming with long Chain-of-Thought (CoT) reasoning sequences (slow-thinking), compared…
To what extent can a neural network systematically reason over symbolic facts? Evidence suggests that large pre-trained language models (LMs) acquire some reasoning capacity, but this ability is difficult to control. Recently, it has been…
Analogical reasoning -- the capacity to identify and map structural relationships between different domains -- is fundamental to human cognition and learning. Recent studies have shown that large language models (LLMs) can sometimes match…
Recent Large Reasoning Models (LRMs), such as DeepSeek-R1 and OpenAI o1, have demonstrated strong performance gains by scaling up the length of Chain-of-Thought (CoT) reasoning during inference. However, a growing concern lies in their…