In particular, Outcome Reward Models (ORMs) are Process Reward Models (PRMs) have proven used to provide supervision based solely on the correctness effective at enhancing mathematical reasoning of the final outcome. However, ORMs fail to address errors for Large Language Models (LLMs) by leveraging in intermediate steps, limiting their effectiveness for increased inference-time computation. However, complex, multi-step reasoning tasks (Luo et al., 2024; Lightman they are predominantly trained on mathematical et al., 2024; Sun et al., 2024). Because ORMs suffer data and their generalizability to nonmathematical from this limitation, Process Reward Models (PRMs) have domains has not been rigorously been proposed to offer fine-grained, step-by-step feedback studied. In response, this work first shows that on the correctness of each reasoning step (Lightman et al., current PRMs have poor performance in other 2024; Uesato et al., 2022). PRMs have proven highly effective domains. To address this limitation, we introduce during inference, improving the reranking of generated VersaPRM, a multi-domain PRM trained solutions and guiding LLMs through search-based on synthetic reasoning data generated using our algorithms (Wan et al., 2024; Wang et al., 2024a).

The predominant approach for training web navigation agents gathers human demonstrations for a set of popular websites and hand-written tasks, but it is becoming clear that human data are an inefficient resource. We develop a pipeline to facilitate Internet-scale training for agents without laborious human annotations. In the first stage, an LLM generates tasks for 150k diverse websites. In the next stage, LLM agents complete tasks and produce trajectories. In the final stage, an LLM reviews the trajectories and judges their success. Language models are competitive with human annotators, detecting and filtering out harmful content with an accuracy of 97%, generating feasible tasks with an 89% rate, and judging successful trajectories with an 82.6% accuracy. Scaling the pipeline, agents based on Llama 3.1 70B solve 16.7% of tasks for 150k sites. Training on the data generated by our pipeline is competitive with training on human demonstrations. In data-limited settings derived from Mind2Web and WebLINX, we improve Step Accuracy by up to +89.5% and +122.1% respectively for agents trained on mixtures of data from our pipeline, and human data. When training agents with all available human data from these benchmarks, agents fail to generalize to diverse real sites, and adding our data improves their generalization by +149.0% for WebLINX and +156.3% for Mind2Web. Code will be available at: data-for-agents.github.io.

Large-scale surveys are essential tools for informing social science research and policy, but running surveys is costly and time-intensive. If we could accurately simulate group-level survey results, this would therefore be very valuable to social science research. Prior work has explored the use of large language models (LLMs) for simulating human behaviors, mostly through prompting. In this paper, we are the first to specialize LLMs for the task of simulating survey response distributions. As a testbed, we use country-level results from two global cultural surveys. We devise a fine-tuning method based on first-token probabilities to minimize divergence between predicted and actual response distributions for a given question. Then, we show that this method substantially outperforms other methods and zero-shot classifiers, even on unseen questions, countries, and a completely unseen survey. While even our best models struggle with the task, especially on unseen questions, our results demonstrate the benefits of specialization for simulation, which may accelerate progress towards sufficiently accurate simulation in the future.

Large Language Models (LLMs) have made substantial advancements in the field of robotic and autonomous driving. This study presents the first Occupancy-based Large Language Model (Occ-LLM), which represents a pioneering effort to integrate LLMs with an important representation. To effectively encode occupancy as input for the LLM and address the category imbalances associated with occupancy, we propose Motion Separation Variational Autoencoder (MS-VAE). This innovative approach utilizes prior knowledge to distinguish dynamic objects from static scenes before inputting them into a tailored Variational Autoencoder (VAE). This separation enhances the model's capacity to concentrate on dynamic trajectories while effectively reconstructing static scenes. The efficacy of Occ-LLM has been validated across key tasks, including 4D occupancy forecasting, self-ego planning, and occupancy-based scene question answering. Comprehensive evaluations demonstrate that Occ-LLM significantly surpasses existing state-of-the-art methodologies, achieving gains of about 6\% in Intersection over Union (IoU) and 4\% in mean Intersection over Union (mIoU) for the task of 4D occupancy forecasting. These findings highlight the transformative potential of Occ-LLM in reshaping current paradigms within robotic and autonomous driving.

The rise of Large Language Models (LLMs) in software engineering, particularly in code generation, has garnered significant attention. However, assessing the quality of AI-generated code remains a challenge due to the inherent complexity of programming tasks and the lack of robust evaluation metrics that align well with human judgment. Traditional token-based metrics such as BLEU and ROUGE, while commonly used in natural language processing, exhibit weak correlations with human assessments in code intelligence and verification tasks. Furthermore, these metrics are primarily research focused and are not designed for seamless integration into the software development lifecycle, limiting their practical utility for developers seeking to improve code quality and security. AI-assisted coding has been shown to be more beneficial for senior developers, as they possess the expertise to critically evaluate the generated code for correctness, completeness, and compliance. In contrast, junior developers may struggle to identify hallucinations, missing functionality, or incorrect logic in AI-generated code. To bridge this gap, This paper introduces a novel scoring mechanism called the SBC score, which is based on a reverse generation technique that leverages the natural language generation capabilities of LLMs. Unlike direct code analysis, our approach reconstructs system requirements from AI-generated code and compares them with the original specifications to quantify accuracy. The SBC score combines semantic similarity, BLEU, and completeness analysis, providing actionable insights to developers by highlighting missing features and hallucinations. Our code and datasets are available on GitHub

Developing the logic necessary to solve mathematical problems or write mathematical proofs is one of the more difficult objectives for large language models (LLMS). Currently, the most popular methods in literature consists of fine-tuning the model on written mathematical content such as academic publications and textbooks, so that the model can learn to emulate the style of mathematical writing. In this project, we explore the effectiveness of using retrieval augmented generation (RAG) to address gaps in the mathematical reasoning of LLMs. We develop LemmaHead, a RAG knowledge base that supplements queries to the model with relevant mathematical context, with particular focus on context from published textbooks. To measure our model's performance in mathematical reasoning, our testing paradigm focuses on the task of automated theorem proving via generating proofs to a given mathematical claim in the Lean formal language.

Finetuning a Large Language Model (LLM) is crucial for generating results towards specific objectives. This research delves into the realm of drug optimization and introduce a novel reinforcement learning algorithm to finetune a drug optimization LLM-based generative model, enhancing the original drug across target objectives, while retains the beneficial chemical properties of the original drug. This work is comprised of two primary components: (1) DrugImprover: A framework tailored for improving robustness and efficiency in drug optimization. It includes a LLM designed for drug optimization and a novel Structured Policy Optimization (SPO) algorithm, which is theoretically grounded. This algorithm offers a unique perspective for fine-tuning the LLM-based generative model by aligning the improvement of the generated molecule with the input molecule under desired objectives. (2) A dataset of 1 million compounds, each with OEDOCK docking scores on 5 human proteins associated with cancer cells and 24 binding sites from SARS-CoV-2 virus. We conduct a comprehensive evaluation of SPO and demonstrate its effectiveness in improving the original drug across target properties. Our code and dataset will be publicly available at: https://github.com/xuefeng-cs/DrugImproverGPT.

Generating synthetic datasets via large language models (LLMs) themselves has emerged as a promising approach to improve LLM performance. However, LLMs inherently reflect biases present in their training data, leading to a critical challenge: when these models generate synthetic data for training, they may propagate and amplify their inherent biases that can significantly impact model fairness and robustness on downstream tasks--a phenomenon we term bias inheritance. This work presents the first systematic investigation in understanding, analyzing, and mitigating bias inheritance. We study this problem by fine-tuning LLMs with a combined dataset consisting of original and LLM-augmented data, where bias ratio represents the proportion of augmented data. Through systematic experiments across 10 classification and generation tasks, we analyze how 6 different types of biases manifest at varying bias ratios. Our results reveal that bias inheritance has nuanced effects on downstream tasks, influencing both classification tasks and generation tasks differently. Then, our analysis identifies three key misalignment factors: misalignment of values, group data, and data distributions. Based on these insights, we propose three mitigation strategies: token-based, mask-based, and loss-based approaches. Experiments demonstrate that these strategies also work differently on various tasks and bias, indicating the substantial challenges to fully mitigate bias inheritance. We hope this work can provide valuable insights to the research of LLM data augmentation.

According to the stages-of-inference hypothesis, early layers of language models map their subword-tokenized input, which does not necessarily correspond to a linguistically meaningful segmentation, to more meaningful representations that form the model's "inner vocabulary". Prior analysis of this detokenization stage has predominantly relied on probing and interventions such as path patching, which involve selecting particular inputs, choosing a subset of components that will be patched, and then observing changes in model behavior. Here, we show that several important aspects of the detokenization stage can be understood purely by analyzing model weights, without performing any model inference steps. Specifically, we introduce an analytical decomposition of first-layer attention in GPT-2. Our decomposition yields interpretable terms that quantify the relative contributions of position-related, token-related, and mixed effects. By focusing on terms in this decomposition, we discover weight-based explanations of attention bias toward close tokens and attention for detokenization.

Phishing attacks remain a significant threat in the digital age, yet organizations lack effective methods to tackle phishing attacks without leaking sensitive information. Phish bowl initiatives are a vital part of cybersecurity efforts against these attacks. However, traditional phish bowls require manual anonymization and are often limited to internal use. To overcome these limitations, we introduce AdaPhish, an AI-powered phish bowl platform that automatically anonymizes and analyzes phishing emails using large language models (LLMs) and vector databases. AdaPhish achieves real-time detection and adaptation to new phishing tactics while enabling long-term tracking of phishing trends. Through automated reporting, adaptive analysis, and real-time alerts, AdaPhish presents a scalable, collaborative solution for phishing detection and cybersecurity education.