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Large Language Models (LLMs) have shown remarkable success on a wide range of math and reasoning benchmarks. However, we observe that they often struggle when faced with unreasonable math problems. Instead of recognizing these issues,…

Hallucinations are a persistent problem with Large Language Models (LLMs). As these models become increasingly used in high-stakes domains, such as healthcare and finance, the need for effective hallucination detection is crucial. To this…

Despite warnings that LLMs can make mistakes, users often develop inappropriate trust and accept incorrect answers without critical evaluation. Uncertainty quantification (UQ), displaying LLMs' confidence, has emerged as a promising…

Large Language Models (LLMs) are increasingly used as powerful tools for several high-stakes natural language processing (NLP) applications. Recent prompting works claim to elicit intermediate reasoning steps and key tokens that serve as…

Neural networks (NNs) are currently changing the computational paradigm on how to combine data with mathematical laws in physics and engineering in a profound way, tackling challenging inverse and ill-posed problems not solvable with…

Large language models (LLMs) show remarkable promise for democratizing automated reasoning by generating formal specifications. However, a fundamental tension exists: LLMs are probabilistic, while formal verification demands deterministic…

Machine learning (ML) offers promising new approaches to tackle complex problems and has been increasingly adopted in chemical and materials sciences. Broadly speaking, ML models employ generic mathematical functions and attempt to learn…

Uncertainty quantification (UQ) in natural language generation (NLG) tasks remains an open challenge, exacerbated by the closed-source nature of the latest large language models (LLMs). This study investigates applying conformal prediction…

Prompt optimization algorithms for Large Language Models (LLMs) excel in multi-step reasoning but still lack effective uncertainty estimation. This paper introduces a benchmark dataset to evaluate uncertainty metrics, focusing on Answer,…

The remarkable performance of large language models (LLMs) in content generation, coding, and common-sense reasoning has spurred widespread integration into many facets of society. However, integration of LLMs raises valid questions on…

Reasoning language models have set state-of-the-art (SOTA) records on many challenging benchmarks, enabled by multi-step reasoning induced using reinforcement learning. However, like previous language models, reasoning models are prone to…

We explore uncertainty quantification in large language models (LLMs), with the goal to identify when uncertainty in responses given a query is large. We simultaneously consider both epistemic and aleatoric uncertainties, where the former…

To facilitate robust and trustworthy deployment of large language models (LLMs), it is essential to quantify the reliability of their generations through uncertainty estimation. While recent efforts have made significant advancements by…

Large Language Models (LLMs) that can express interpretable and calibrated uncertainty are crucial in high-stakes domains. While methods to compute uncertainty post-hoc exist, they are often sampling-based and therefore computationally…

Large language models (LLMs) often generate fluent but factually incorrect outputs, known as hallucinations, which undermine their reliability in real-world applications. While uncertainty estimation has emerged as a promising strategy for…

Large language models (LLMs) have shown strong capabilities, enabling concise, context-aware answers in question answering (QA) tasks. The lack of transparency in complex LLMs has inspired extensive research aimed at developing methods to…

Quantifying uncertainties for machine learning (ML) models is a foundational challenge in modern data analysis. This challenge is compounded by at least two key aspects of the field: (a) inconsistent terminology surrounding uncertainty and…

In-context learning has emerged as a groundbreaking ability of Large Language Models (LLMs) and revolutionized various fields by providing a few task-relevant demonstrations in the prompt. However, trustworthy issues with LLM's response,…

On top of machine learning models, uncertainty quantification (UQ) functions as an essential layer of safety assurance that could lead to more principled decision making by enabling sound risk assessment and management. The safety and…

Large Language Diffusion Models (LLDMs) are emerging as an alternative to autoregressive models, offering faster inference through higher parallelism. Similar to autoregressive LLMs, they remain prone to hallucinations, making reliable…