Related papers: Breaking Bad Molecules: Are MLLMs Ready for Struct…
The proliferation of online toxic speech is a pertinent problem posing threats to demographic groups. While explicit toxic speech contains offensive lexical signals, implicit one consists of coded or indirect language. Therefore, it is…
Multimodal large language models (MLLMs) have shown great potential in perception and interpretation tasks, but their capabilities in predictive reasoning remain under-explored. To address this gap, we introduce a novel benchmark that…
Multimodal Large Language Models (MLLMs) are gaining increasing popularity in both academia and industry due to their remarkable performance in various applications such as visual question answering, visual perception, understanding, and…
The open-endedness of large language models (LLMs) combined with their impressive capabilities may lead to new safety issues when being exploited for malicious use. While recent studies primarily focus on probing toxic outputs that can be…
Evaluation is the baton for the development of large language models. Current evaluations typically employ a single-item assessment paradigm for each atomic test objective, which struggles to discern whether a model genuinely possesses the…
With the widespread application of multimodal large language models in scientific intelligence, there is an urgent need for more challenging evaluation benchmarks to assess their ability to understand complex scientific data. Scientific…
Large language models (LLMs) and small language models (SLMs) are being adopted at remarkable speed, although their safety still remains a serious concern. With the advent of multilingual S/LLMs, the question now becomes a matter of scale:…
Acute poly-substance intoxication requires rapid, life-saving decisions under substantial uncertainty, as clinicians must rely on incomplete ingestion details and nonspecific symptoms. Effective diagnostic reasoning in this chaotic…
Large Language Models (LLMs) excel in code-related tasks like code generation, but benchmark evaluations often overlook task characteristics, such as difficulty. Moreover, benchmarks are usually built using tasks described with a single…
The rapid evolution of code largelanguage models underscores the need for effective and transparent benchmarking of their reasoning capabilities. However, the current benchmarking approach heavily depends on publicly available,…
Advances in large language models (LLMs) have recently opened new and promising avenues for small-molecule drug discovery. Yet existing LLM-based approaches for molecular generation often suffer from high rates of invalid and low-quality…
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…
Artificial intelligence is increasingly catalyzing scientific automation, with multimodal large language model (MLLM) agents evolving from lab assistants into self-driving lab operators. This transition imposes stringent safety requirements…
In biological tasks, data is rarely plentiful as it is generated from hard-to-gather measurements. Therefore, pre-training foundation models on large quantities of available data and then transfer to low-data downstream tasks is a promising…
Large Language Models (LLMs) have transformed code completion tasks, providing context-based suggestions to boost developer productivity in software engineering. As users often fine-tune these models for specific applications, poisoning and…
The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains…
In contrast to their remarkable performance on general knowledge QA, the true abilities of Large Language Models (LLMs) in tasks demanding deep, specialized reasoning, such as in protein biology, have yet to be thoroughly investigated.…
Molecular function is largely determined by structure. Accurately aligning molecular structure with natural language is therefore essential for enabling large language models (LLMs) to reason about downstream chemical tasks. However, the…
Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as…
Mathematical reasoning is essential for problem-solving in education, science, and industry, serving as a crucial benchmark for evaluating artificial intelligence systems. As Large Language Models (LLMs) improve their reasoning…