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Heating, Ventilation, and Air-Conditioning (HVAC) systems account for a substantial share of global building energy use, making reliable anomaly detection essential for improving efficiency and reducing emissions. Classical rule-based…

Recent claims of strong performance by Large Language Models (LLMs) on causal discovery are undermined by a key flaw: many evaluations rely on benchmarks likely included in pretraining corpora. Thus, apparent success suggests that LLM-only…

Large Language Models (LLMs) have shown remarkable capabilities in manipulating natural language across multiple applications, but their ability to handle simple reasoning tasks is often questioned. In this work, we aim to provide a…

Polymers are widely-studied materials with diverse properties and applications determined by different molecular structures. It is essential to represent these structures clearly and explore the full space of achievable chemical designs.…

Large Language Models (LLMs) are increasingly applied in the fields of mechanical engineering and materials science. As models that establish connections through the interface of language, LLMs can be applied for step-wise reasoning through…

Large language models (LLMs) can capture rich representations of concepts that are useful for real-world tasks. However, language alone is limited. While existing LLMs excel at text-based inferences, health applications require that models…

Advances in large language models (LLMs) have spurred research into enhancing their reasoning capabilities, particularly in math-rich STEM (Science, Technology, Engineering, and Mathematics) documents. While LLMs can generate equations or…

The versatility of Large Language Models (LLMs) on natural language understanding tasks has made them popular for research in social sciences. To properly understand the properties and innate personas of LLMs, researchers have performed…

The impressive performance of large language models (LLMs) has led to their consideration as models of human language processing. Instead, we suggest that the success of LLMs arises from the flexibility of the transformer learning…

There is a significant potential for coding skills to transition fully to natural language in the future. In this context, large language models (LLMs) have shown impressive natural language processing abilities to generate sophisticated…

Performance prediction is a method to estimate the performance of Language Models (LMs) on various Natural Language Processing (NLP) tasks, mitigating computational costs associated with model capacity and data for fine-tuning. Our paper…

Active learning (AL) accelerates scientific discovery by prioritizing the most informative experiments, but traditional machine learning (ML) models used in AL suffer from cold-start limitations and domain-specific feature engineering,…

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

To avoid the "meaning conflation deficiency" of word embeddings, a number of models have aimed to embed individual word senses. These methods at one time performed well on tasks such as word sense induction (WSI), but they have since been…

Recent success of pre-trained language models (PLMs) has stimulated interest in their ability to understand and work with numbers. Yet, the numerical reasoning over measurements has not been formally studied despite their importance. In…

Language modeling studies the probability distributions over strings of texts. It is one of the most fundamental tasks in natural language processing (NLP). It has been widely used in text generation, speech recognition, machine…

Protein-specific large language models (Protein LLMs) are revolutionizing protein science by enabling more efficient protein structure prediction, function annotation, and design. While existing surveys focus on specific aspects or…

We argue that language-only models don't learn the physical manifestation of language. We present an empirical investigation of visual-auditory properties of language through a series of tasks, termed H-Test. These tasks highlight a…

Materials design often relies on human-generated hypotheses, a process inherently limited by cognitive constraints such as knowledge gaps and limited ability to integrate and extract knowledge implications, particularly when…

Polymers are high-molecular-weight compounds constructed by the covalent bonding of numerous identical or similar monomers so that their 3D structures are complex yet exhibit unignorable regularity. Typically, the properties of a polymer,…