Large Language Models perform well at natural language interpretation and reasoning, but their inherent stochasticity limits their adoption in regulated industries like finance and healthcare that operate under strict policies. To address this limitation, we present a two-stage neurosymbolic framework that (1) uses LLMs with optional human guidance to formalize natural language policies, allowing fine-grained control of the formalization process, and (2) uses inference-time autofor-malization to validate logical correctness of natural language statements against those policies. When correctness is paramount, we perform multiple redundant formalization steps at inference time, cross checking the formalizations for semantic equivalence. Our benchmarks demonstrate that our approach exceeds 99% soundness, indicating a near-zero false positive rate in identifying logical validity. Our approach produces auditable logical artifacts that substantiate the verification outcomes and can be used to improve the original text. The content generation and reasoning capabilities of Large Language Models (LLMs) continue to advance rapidly, demonstrating unprecedented improvements in coherence and analytical accuracy (Wei et al., 2022; Y ao et al., 2023; Lewis et al., 2021). Despite these advances, their probabilistic nature and tendency to generate plausible but incorrect information (hallucinations, cf. Xu et al. 2024b) remain barriers to widespread adoption in regulated sectors. Industries such as healthcare, financial services, and legal practices have legal and regulatory obligations for accuracy and auditability that current LLM technology has yet to meet (Haltaufderheide & Ranisch, 2024). Companies develop institutional policies to ensure compliance with applicable laws and regulations. Such policies are typically captured in natural language (NL) documents that define rules, procedures, or guidelines. A challenge thus emerges when organizations look to deploy LLMs to answer questions about such documents: can we develop guardrails to ensure that LLM outputs conform to institutional policies? Consider an airline implementing a chatbot to assist customer service representatives in navigating refund policies: if the chatbot incorrectly claims that a customer is eligible for a refund when they are not, this could lead to legal exposure and loss of customer trust. An effective guardrail would help representatives decide if they can rely on a chatbot response without spending additional human effort to verify it. The key concern would be to ensure that when the guardrail reports an answer is valid, it actually is.

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structure-aware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships. The dataset and evaluation code are available at https://github.com/xuanliugit/FGBench.

Existing evaluation studies on linguistic competence of large language models (LLM agents) have focused primarily on vocabulary learning, morphological rule induction, syntactic generalization, pragmatic inference, and cross-linguistic transfer. However, none assess whether LLM agents can acquire a language through pattern recognition and interactive feedback, a central feature of human language acquisition. We propose a novel experimental framework in which an LLM agent is evaluated on its ability to acquire and use a newly constructed language (Tinkatongue) in conversation with a bot that understands only Tinkatongue. Our findings show that LLM agents fail to establish a conversation within 100 responses, yet they adopt distinct strategies that mirror human approaches to language learning. The results suggest a new direction for evaluation benchmarks and open pathways to model designs that learn more effectively from interactive feedback.

This technical report records the experiments of applying multiple machine learning algorithms for predicting eating and food purchasing behaviors of free-living individuals. Data was collected with accelerometer, global positioning system (GPS), and body-worn cameras called SenseCam over a one week period in 81 individuals from a variety of ages and demographic backgrounds. These data were turned into minute-level features from sensors as well as engineered features that included time (e.g., time since last eating) and environmental context (e.g., distance to nearest grocery store). Algorithms include Logistic Regression, RBF-SVM, Random Forest, and Gradient Boosting. Our results show that the Gradient Boosting model has the highest mean accuracy score (0.7289) for predicting eating events before 0 to 4 minutes. For predicting food purchasing events, the RBF-SVM model (0.7395) outperforms others. For both prediction models, temporal and spatial features were important contributors to predicting eating and food purchasing events.