FACT: Examining the Effectiveness of Iterative Context Rewriting for Multi-fact Retrieval

Large Language Models (LLMs) are proficient at retrieving single facts from extended contexts, yet they struggle with tasks requiring the simultaneous retrieval of multiple facts, especially during generation. This paper identifies a novel "lost-in-the-middle" phenomenon, where LLMs progressively lose track of critical information throughout the generation process, resulting in incomplete or inaccurate retrieval. To address this challenge, we introduce Find All Crucial Texts (FACT), an iterative retrieval method that refines context through successive rounds of rewriting. This approach enables models to capture essential facts incrementally, which are often overlooked in single-pass retrieval. Experiments demonstrate that FACT substantially enhances multi-fact retrieval performance across various tasks, though improvements are less notable in general-purpose QA scenarios. Our findings shed light on the limitations of LLMs in multi-fact retrieval and underscore the need for more resilient long-context retrieval strategies.

MatExpert: Decomposing Materials Discovery by Mimicking Human Experts

Material discovery is a critical research area with profound implications for various industries. In this work, we introduce MatExpert, a novel framework that leverages Large Language Models (LLMs) and contrastive learning to accelerate the discovery and design of new solid-state materials. Inspired by the workflow of human materials design experts, our approach integrates three key stages: retrieval, transition, and generation. First, in the retrieval stage, MatExpert identifies an existing material that closely matches the desired criteria. Second, in the transition stage, MatExpert outlines the necessary modifications to transform this material formulation to meet specific requirements outlined by the initial user query. Third, in the generation state, MatExpert performs detailed computations and structural generation to create new materials based on the provided information. Our experimental results demonstrate that MatExpert outperforms state-of-the-art methods in material generation tasks, achieving superior performance across various metrics including validity, distribution, and stability. As such, MatExpert represents a meaningful advancement in computational material discovery using langauge-based generative models.

OSCAR: Operating System Control via State-Aware Reasoning and Re-Planning

Large language models (LLMs) and large multimodal models (LMMs) have shown great potential in automating complex tasks like web browsing and gaming. However, their ability to generalize across diverse applications remains limited, hindering broader utility. To address this challenge, we present OSCAR: Operating System Control via state-Aware reasoning and Re-planning. OSCAR is a generalist agent designed to autonomously navigate and interact with various desktop and mobile applications through standardized controls, such as mouse and keyboard inputs, while processing screen images to fulfill user commands. OSCAR translates human instructions into executable Python code, enabling precise control over graphical user interfaces (GUIs). To enhance stability and adaptability, OSCAR operates as a state machine, equipped with error-handling mechanisms and dynamic task re-planning, allowing it to efficiently adjust to real-time feedback and exceptions. We demonstrate OSCAR's effectiveness through extensive experiments on diverse benchmarks across desktop and mobile platforms, where it transforms complex workflows into simple natural language commands, significantly boosting user productivity. Our code will be open-source upon publication.

SELA: Tree-Search Enhanced LLM Agents for Automated Machine Learning

Automated Machine Learning (AutoML) approaches encompass traditional methods that optimize fixed pipelines for model selection and ensembling, as well as newer LLM-based frameworks that autonomously build pipelines. While LLM-based agents have shown promise in automating machine learning tasks, they often generate low-diversity and suboptimal code, even after multiple iterations. To overcome these limitations, we introduce Tree-Search Enhanced LLM Agents (SELA), an innovative agent-based system that leverages Monte Carlo Tree Search (MCTS) to optimize the AutoML process. By representing pipeline configurations as trees, our framework enables agents to conduct experiments intelligently and iteratively refine their strategies, facilitating a more effective exploration of the machine learning solution space. This novel approach allows SELA to discover optimal pathways based on experimental feedback, improving the overall quality of the solutions. In an extensive evaluation across 20 machine learning datasets, we compare the performance of traditional and agent-based AutoML methods, demonstrating that SELA achieves a win rate of 65% to 80% against each baseline across all datasets. These results underscore the significant potential of agent-based strategies in AutoML, offering a fresh perspective on tackling complex machine learning challenges.

AFlow: Automating Agentic Workflow Generation

Large language models (LLMs) have demonstrated remarkable potential in solving complex tasks across diverse domains, typically by employing agentic workflows that follow detailed instructions and operational sequences. However, constructing these workflows requires significant human effort, limiting scalability and generalizability. Recent research has sought to automate the generation and optimization of these workflows, but existing methods still rely on initial manual setup and fall short of achieving fully automated and effective workflow generation. To address this challenge, we reformulate workflow optimization as a search problem over code-represented workflows, where LLM-invoking nodes are connected by edges. We introduce AFlow, an automated framework that efficiently explores this space using Monte Carlo Tree Search, iteratively refining workflows through code modification, tree-structured experience, and execution feedback. Empirical evaluations across six benchmark datasets demonstrate AFlow's efficacy, yielding a 5.7% average improvement over state-of-the-art baselines. Furthermore, AFlow enables smaller models to outperform GPT-4o on specific tasks at 4.55% of its inference cost in dollars. The code will be available at https://github.com/geekan/MetaGPT.

CadVLM: Bridging Language and Vision in the Generation of Parametric CAD Sketches

Parametric Computer-Aided Design (CAD) is central to contemporary mechanical design. However, it encounters challenges in achieving precise parametric sketch modeling and lacks practical evaluation metrics suitable for mechanical design. We harness the capabilities of pre-trained foundation models, renowned for their successes in natural language processing and computer vision, to develop generative models specifically for CAD. These models are adept at understanding complex geometries and design reasoning, a crucial advancement in CAD technology. In this paper, we propose CadVLM, an end-to-end vision language model for CAD generation. Our approach involves adapting pre-trained foundation models to manipulate engineering sketches effectively, integrating both sketch primitive sequences and sketch images. Extensive experiments demonstrate superior performance on multiple CAD sketch generation tasks such as CAD autocompletion, CAD autoconstraint, and image conditional generation. To our knowledge, this is the first instance of a multimodal Large Language Model (LLM) being successfully applied to parametric CAD generation, representing a pioneering step in the field of computer-aided mechanical design.

Enhancing Healthcare LLM Trust with Atypical Presentations Recalibration

Black-box large language models (LLMs) are increasingly deployed in various environments, making it essential for these models to effectively convey their confidence and uncertainty, especially in high-stakes settings. However, these models often exhibit overconfidence, leading to potential risks and misjudgments. Existing techniques for eliciting and calibrating LLM confidence have primarily focused on general reasoning datasets, yielding only modest improvements. Accurate calibration is crucial for informed decision-making and preventing adverse outcomes but remains challenging due to the complexity and variability of tasks these models perform. In this work, we investigate the miscalibration behavior of black-box LLMs within the healthcare setting. We propose a novel method, \textit{Atypical Presentations Recalibration}, which leverages atypical presentations to adjust the model's confidence estimates. Our approach significantly improves calibration, reducing calibration errors by approximately 60\% on three medical question answering datasets and outperforming existing methods such as vanilla verbalized confidence, CoT verbalized confidence and others. Additionally, we provide an in-depth analysis of the role of atypicality within the recalibration framework.

Pairing Analogy-Augmented Generation with Procedural Memory for Procedural Q&A

While LLMs in the RAG paradigm have shown remarkable performance on a variety of tasks, they still under-perform on unseen domains, especially on complex tasks like procedural question answering. In this work, we introduce a novel formalism and structure for manipulating text-based procedures. Based on this formalism, we further present a novel dataset called LCStep, scraped from the LangChain Python docs. Moreover, we extend the traditional RAG system to propose a novel system called analogy-augmented generation (AAG), that draws inspiration from human analogical reasoning and ability to assimilate past experiences to solve unseen problems. The proposed method uses a frozen language model with a custom procedure memory store to adapt to specialized knowledge. We demonstrate that AAG outperforms few-shot and RAG baselines on LCStep, RecipeNLG, and CHAMP datasets under a pairwise LLM-based evaluation, corroborated by human evaluation in the case of RecipeNLG.

HoneyComb: A Flexible LLM-Based Agent System for Materials Science

The emergence of specialized large language models (LLMs) has shown promise in addressing complex tasks for materials science. Many LLMs, however, often struggle with distinct complexities of material science tasks, such as materials science computational tasks, and often rely heavily on outdated implicit knowledge, leading to inaccuracies and hallucinations. To address these challenges, we introduce HoneyComb, the first LLM-based agent system specifically designed for materials science. HoneyComb leverages a novel, high-quality materials science knowledge base (MatSciKB) and a sophisticated tool hub (ToolHub) to enhance its reasoning and computational capabilities tailored to materials science. MatSciKB is a curated, structured knowledge collection based on reliable literature, while ToolHub employs an Inductive Tool Construction method to generate, decompose, and refine API tools for materials science. Additionally, HoneyComb leverages a retriever module that adaptively selects the appropriate knowledge source or tools for specific tasks, thereby ensuring accuracy and relevance. Our results demonstrate that HoneyComb significantly outperforms baseline models across various tasks in materials science, effectively bridging the gap between current LLM capabilities and the specialized needs of this domain. Furthermore, our adaptable framework can be easily extended to other scientific domains, highlighting its potential for broad applicability in advancing scientific research and applications.

Improving Clinical Note Generation from Complex Doctor-Patient Conversation

Writing clinical notes and documenting medical exams is a critical task for healthcare professionals, serving as a vital component of patient care documentation. However, manually writing these notes is time-consuming and can impact the amount of time clinicians can spend on direct patient interaction and other tasks. Consequently, the development of automated clinical note generation systems has emerged as a clinically meaningful area of research within AI for health. In this paper, we present three key contributions to the field of clinical note generation using large language models (LLMs). First, we introduce CliniKnote, a comprehensive dataset consisting of 1,200 complex doctor-patient conversations paired with their full clinical notes. This dataset, created and curated by medical experts with the help of modern neural networks, provides a valuable resource for training and evaluating models in clinical note generation tasks. Second, we propose the K-SOAP (Keyword, Subjective, Objective, Assessment, and Plan) note format, which enhances traditional SOAP~\cite{podder2023soap} (Subjective, Objective, Assessment, and Plan) notes by adding a keyword section at the top, allowing for quick identification of essential information. Third, we develop an automatic pipeline to generate K-SOAP notes from doctor-patient conversations and benchmark various modern LLMs using various metrics. Our results demonstrate significant improvements in efficiency and performance compared to standard LLM finetuning methods.