Huan Sun

Xiang Deng, Yu Gu, Boyuan Zheng et al. · microsoft-research

We introduce Mind2Web, the first dataset for developing and evaluating generalist agents for the web that can follow language instructions to complete complex tasks on any website. Existing datasets for web agents either use simulated websites or only cover a limited set of websites and tasks, thus not suitable for generalist web agents. With over 2,000 open-ended tasks collected from 137 websites spanning 31 domains and crowdsourced action sequences for the tasks, Mind2Web provides three necessary ingredients for building generalist web agents: 1) diverse domains, websites, and tasks, 2) use of real-world websites instead of simulated and simplified ones, and 3) a broad spectrum of user interaction patterns. Based on Mind2Web, we conduct an initial exploration of using large language models (LLMs) for building generalist web agents. While the raw HTML of real-world websites are often too large to be fed to LLMs, we show that first filtering it with a small LM significantly improves the effectiveness and efficiency of LLMs. Our solution demonstrates a decent level of performance, even on websites or entire domains the model has never seen before, but there is still a substantial room to improve towards truly generalizable agents. We open-source our dataset, model implementation, and trained models (https://osu-nlp-group.github.io/Mind2Web) to facilitate further research on building a generalist agent for the web.

Boshi Wang, Sewon Min, Xiang Deng et al. · deepmind, uw

Chain-of-Thought (CoT) prompting can dramatically improve the multi-step reasoning abilities of large language models (LLMs). CoT explicitly encourages the LLM to generate intermediate rationales for solving a problem, by providing a series of reasoning steps in the demonstrations. Despite its success, there is still little understanding of what makes CoT prompting effective and which aspects of the demonstrated reasoning steps contribute to its performance. In this paper, we show that CoT reasoning is possible even with invalid demonstrations - prompting with invalid reasoning steps can achieve over 80-90% of the performance obtained using CoT under various metrics, while still generating coherent lines of reasoning during inference. Further experiments show that other aspects of the rationales, such as being relevant to the query and correctly ordering the reasoning steps, are much more important for effective CoT reasoning. Overall, these findings both deepen our understanding of CoT prompting, and open up new questions regarding LLMs' capability to learn to reason in context.

Xiang Yue, Huseyin A. Inan, Xuechen Li et al. · stanford

Privacy concerns have attracted increasing attention in data-driven products due to the tendency of machine learning models to memorize sensitive training data. Generating synthetic versions of such data with a formal privacy guarantee, such as differential privacy (DP), provides a promising path to mitigating these privacy concerns, but previous approaches in this direction have typically failed to produce synthetic data of high quality. In this work, we show that a simple and practical recipe in the text domain is effective: simply fine-tuning a pretrained generative language model with DP enables the model to generate useful synthetic text with strong privacy protection. Through extensive empirical analyses on both benchmark and private customer data, we demonstrate that our method produces synthetic text that is competitive in terms of utility with its non-private counterpart, meanwhile providing strong protection against potential privacy leakages.

Zhen Wang, Rameswar Panda, Leonid Karlinsky et al.

Prompt tuning, in which a base pretrained model is adapted to each task via conditioning on learned prompt vectors, has emerged as a promising approach for efficiently adapting large language models to multiple downstream tasks. However, existing methods typically learn soft prompt vectors from scratch, and it has not been clear how to exploit the rich cross-task knowledge with prompt vectors in a multitask learning setting. We propose multitask prompt tuning (MPT), which first learns a single transferable prompt by distilling knowledge from multiple task-specific source prompts. We then learn multiplicative low rank updates to this shared prompt to efficiently adapt it to each downstream target task. Extensive experiments on 23 NLP datasets demonstrate that our proposed approach outperforms the state-of-the-art methods, including the full finetuning baseline in some cases, despite only tuning 0.035% as many task-specific parameters.

Shijie Chen, Ziru Chen, Xiang Deng et al. · microsoft-research

We present TacoBot, a task-oriented dialogue system built for the inaugural Alexa Prize TaskBot Challenge, which assists users in completing multi-step cooking and home improvement tasks. TacoBot is designed with a user-centered principle and aspires to deliver a collaborative and accessible dialogue experience. Towards that end, it is equipped with accurate language understanding, flexible dialogue management, and engaging response generation. Furthermore, TacoBot is backed by a strong search engine and an automated end-to-end test suite. In bootstrapping the development of TacoBot, we explore a series of data augmentation strategies to train advanced neural language processing models and continuously improve the dialogue experience with collected real conversations. At the end of the semifinals, TacoBot achieved an average rating of 3.55/5.0.

Boshi Wang, Xiang Deng, Huan Sun

While Pre-trained Language Models (PLMs) internalize a great amount of world knowledge, they have been shown incapable of recalling these knowledge to solve tasks requiring complex & multi-step reasoning. Similar to how humans develop a "chain of thought" for these tasks, how can we equip PLMs with such abilities? In this work, we explore an iterative prompting framework, a new prompting paradigm which progressively elicits relevant knowledge from PLMs for multi-step inference. We identify key limitations of existing prompting methods, namely they are either restricted to queries with a single identifiable relation/predicate, or being agnostic to input contexts, which makes it difficult to capture variabilities across different inference steps. We propose an iterative context-aware prompter, which addresses these limitations by learning to dynamically synthesize prompts conditioned on the current step's contexts. Experiments on three datasets involving multi-step reasoning show the effectiveness of the iterative scheme and the context-aware prompter design.

Xiang Yue, Ziyu Yao, Huan Sun

Synthesizing QA pairs with a question generator (QG) on the target domain has become a popular approach for domain adaptation of question answering (QA) models. Since synthetic questions are often noisy in practice, existing work adapts scores from a pretrained QA (or QG) model as criteria to select high-quality questions. However, these scores do not directly serve the ultimate goal of improving QA performance on the target domain. In this paper, we introduce a novel idea of training a question value estimator (QVE) that directly estimates the usefulness of synthetic questions for improving the target-domain QA performance. By conducting comprehensive experiments, we show that the synthetic questions selected by QVE can help achieve better target-domain QA performance, in comparison with existing techniques. We additionally show that by using such questions and only around 15% of the human annotations on the target domain, we can achieve comparable performance to the fully-supervised baselines.

Boyuan Zheng, Boyu Gou, Jihyung Kil et al. · microsoft-research

The recent development on large multimodal models (LMMs), especially GPT-4V(ision) and Gemini, has been quickly expanding the capability boundaries of multimodal models beyond traditional tasks like image captioning and visual question answering. In this work, we explore the potential of LMMs like GPT-4V as a generalist web agent that can follow natural language instructions to complete tasks on any given website. We propose SEEACT, a generalist web agent that harnesses the power of LMMs for integrated visual understanding and acting on the web. We evaluate on the recent MIND2WEB benchmark. In addition to standard offline evaluation on cached websites, we enable a new online evaluation setting by developing a tool that allows running web agents on live websites. We show that GPT-4V presents a great potential for web agents -- it can successfully complete 51.1 of the tasks on live websites if we manually ground its textual plans into actions on the websites. This substantially outperforms text-only LLMs like GPT-4 or smaller models (FLAN-T5 and BLIP-2) specifically fine-tuned for web agents. However, grounding still remains a major challenge. Existing LMM grounding strategies like set-of-mark prompting turns out to be not effective for web agents, and the best grounding strategy we develop in this paper leverages both the HTML structure and visuals. Yet, there is still a substantial gap with oracle grounding, leaving ample room for further improvement. All code, data, and evaluation tools are available at https://github.com/OSU-NLP-Group/SeeAct.

Yu Gu, Kai Zhang, Yuting Ning et al. · microsoft-research

Language agents based on large language models (LLMs) have demonstrated great promise in automating web-based tasks. Recent work has shown that incorporating advanced planning algorithms, e.g., tree search, is advantageous over reactive planning for web agents. However, unlike simulated sandbox environments, real-world environments such as the web are rife with irreversible actions. This undermines the feasibility of backtracking, a cornerstone of (tree) search. Overly relying on test-time search also hurts efficiency. We advocate model-based planning for web agents that employs a world model to simulate and deliberate over the outcome of each candidate action before committing to one. We systematically explore this paradigm by (1) Proposing a model-based planning framework, WebDreamer, which employs LLMs to serve as both world models and value functions; (2) Training specialized LLMs as world models with a scalable data synthesis pipeline. Empirical results demonstrate that WebDreamer achieves substantial performance improvements over reactive baselines. It is competitive, while being 4-5 times more efficient, with tree search in sandbox environments (VisualWebArena) and also works effectively on real-world websites (Online-Mind2Web and Mind2Web-Live). Furthermore, our trained world model, Dreamer-7B, performs comparable to GPT-4o, highlighting the potential of specialized world models for efficient and effective planning in complex web environments.

Botao Yu, Frazier N. Baker, Ziru Chen et al.

To enhance large language models (LLMs) for chemistry problem solving, several LLM-based agents augmented with tools have been proposed, such as ChemCrow and Coscientist. However, their evaluations are narrow in scope, leaving a large gap in understanding the benefits of tools across diverse chemistry tasks. To bridge this gap, we develop ChemToolAgent, an enhanced chemistry agent over ChemCrow, and conduct a comprehensive evaluation of its performance on both specialized chemistry tasks and general chemistry questions. Surprisingly, ChemToolAgent does not consistently outperform its base LLMs without tools. Our error analysis with a chemistry expert suggests that: For specialized chemistry tasks, such as synthesis prediction, we should augment agents with specialized tools; however, for general chemistry questions like those in exams, agents' ability to reason correctly with chemistry knowledge matters more, and tool augmentation does not always help.

Boyuan Zheng, Zeyi Liao, Scott Salisbury et al. · microsoft-research

The rapid development of autonomous web agents powered by Large Language Models (LLMs), while greatly elevating efficiency, exposes the frontier risk of taking unintended or harmful actions. This situation underscores an urgent need for effective safety measures, akin to access controls for human users. To address this critical challenge, we introduce WebGuard, the first comprehensive dataset designed to support the assessment of web agent action risks and facilitate the development of guardrails for real-world online environments. In doing so, WebGuard specifically focuses on predicting the outcome of state-changing actions and contains 4,939 human-annotated actions from 193 websites across 22 diverse domains, including often-overlooked long-tail websites. These actions are categorized using a novel three-tier risk schema: SAFE, LOW, and HIGH. The dataset includes designated training and test splits to support evaluation under diverse generalization settings. Our initial evaluations reveal a concerning deficiency: even frontier LLMs achieve less than 60% accuracy in predicting action outcomes and less than 60% recall in lagging HIGH-risk actions, highlighting the risks of deploying current-generation agents without dedicated safeguards. We therefore investigate fine-tuning specialized guardrail models using WebGuard. We conduct comprehensive evaluations across multiple generalization settings and find that a fine-tuned Qwen2.5VL-7B model yields a substantial improvement in performance, boosting accuracy from 37% to 80% and HIGH-risk action recall from 20% to 76%. Despite these improvements, the performance still falls short of the reliability required for high-stakes deployment, where guardrails must approach near-perfect accuracy and recall.

Kai Zhang, Xiangchao Chen, Bo Liu et al. · microsoft-research

A long-term goal of language agents is to learn and improve through their own experience, ultimately outperforming humans in complex, real-world tasks. However, training agents from experience data with reinforcement learning remains difficult in many environments, which either lack verifiable rewards (e.g., websites) or require inefficient long-horizon rollouts (e.g., multi-turn tool use). As a result, most current agents rely on supervised fine-tuning on expert data, which is challenging to scale and generalizes poorly. This limitation stems from the nature of expert demonstrations: they capture only a narrow range of scenarios and expose the agent to limited environment diversity. We address this limitation with a middle-ground paradigm we call early experience: interaction data generated by the agent's own actions, where the resulting future states serve as supervision without reward signals. Within this paradigm we study two strategies of using such data: (1) Implicit world modeling, which uses collected states to ground the policy in environment dynamics; and (2) Self-reflection, where the agent learns from its suboptimal actions to improve reasoning and decision-making. We evaluate across eight diverse environments and multiple model families. Our approaches consistently improve effectiveness and out-of-domain generalization, highlighting the value of early experience. Moreover, in environments with verifiable rewards, our results provide promising signals that early experience offers a strong foundation for subsequent reinforcement learning, positioning it as a practical bridge between imitation learning and fully experience-driven agents.

Frazier N. Baker, Daniel Adu-Ampratwum, Reza Averly et al.

Large language model (LLM) agent evaluators leverage specialized tools to ground the rational decision-making of LLMs, making them well-suited to aid in scientific discoveries, such as constrained retrosynthesis planning. Constrained retrosynthesis planning is an essential, yet challenging, process within chemistry for identifying synthetic routes from commercially available starting materials to desired target molecules, subject to practical constraints. Here, we present LARC, the first LLM-based Agentic framework for Retrosynthesis planning under Constraints. LARC incorporates agentic constraint evaluation, through an Agent-as-a-Judge, directly into the retrosynthesis planning process, using agentic feedback grounded in tool-based reasoning to guide and constrain route generation. We rigorously evaluate LARC on a carefully curated set of 48 constrained retrosynthesis planning tasks across 3 constraint types. LARC achieves a 72.9% success rate on these tasks, vastly outperforming LLM baselines and approaching human expert-level success in substantially less time. The LARC framework is extensible, and serves as a first step towards an effective agentic tool or a co-scientist to human experts for constrained retrosynthesis.

Ziqi Chen, Oluwatosin R. Ayinde, James R. Fuchs et al.

Retrosynthesis is a procedure where a target molecule is transformed into potential reactants and thus the synthesis routes can be identified. Recently, computational approaches have been developed to accelerate the design of synthesis routes. In this paper, we develop a generative framework $\mathsf{G^2Retro}$ for one-step retrosynthesis prediction. $\mathsf{G^2Retro}$ imitates the reversed logic of synthetic reactions. It first predicts the reaction centers in the target molecules (products), identifies the synthons needed to assemble the products, and transforms these synthons into reactants. $\mathsf{G^2Retro}$ defines a comprehensive set of reaction center types, and learns from the molecular graphs of the products to predict potential reaction centers. To complete synthons into reactants, $\mathsf{G^2Retro}$ considers all the involved synthon structures and the product structures to identify the optimal completion paths, and accordingly attaches small substructures sequentially to the synthons. Here we show that $\mathsf{G^2Retro}$ is able to better predict the reactants for given products in the benchmark dataset than the state-of-the-art methods.

Xiang Deng, Prashant Shiralkar, Colin Lockard et al.

HTML documents are an important medium for disseminating information on the Web for human consumption. An HTML document presents information in multiple text formats including unstructured text, structured key-value pairs, and tables. Effective representation of these documents is essential for machine understanding to enable a wide range of applications, such as Question Answering, Web Search, and Personalization. Existing work has either represented these documents using visual features extracted by rendering them in a browser, which is typically computationally expensive, or has simply treated them as plain text documents, thereby failing to capture useful information presented in their HTML structure. We argue that the text and HTML structure together convey important semantics of the content and therefore warrant a special treatment for their representation learning. In this paper, we introduce a novel representation learning approach for web pages, dubbed DOM-LM, which addresses the limitations of existing approaches by encoding both text and DOM tree structure with a transformer-based encoder and learning generalizable representations for HTML documents via self-supervised pre-training. We evaluate DOM-LM on a variety of webpage understanding tasks, including Attribute Extraction, Open Information Extraction, and Question Answering. Our extensive experiments show that DOM-LM consistently outperforms all baselines designed for these tasks. In particular, DOM-LM demonstrates better generalization performance both in few-shot and zero-shot settings, making it attractive for making it suitable for real-world application settings with limited labeled data.

Lingbo Mo, Ashley Lewis, Huan Sun et al.

Existing studies on semantic parsing focus primarily on mapping a natural-language utterance to a corresponding logical form in one turn. However, because natural language can contain a great deal of ambiguity and variability, this is a difficult challenge. In this work, we investigate an interactive semantic parsing framework that explains the predicted logical form step by step in natural language and enables the user to make corrections through natural-language feedback for individual steps. We focus on question answering over knowledge bases (KBQA) as an instantiation of our framework, aiming to increase the transparency of the parsing process and help the user appropriately trust the final answer. To do so, we construct INSPIRED, a crowdsourced dialogue dataset derived from the ComplexWebQuestions dataset. Our experiments show that the interactive framework with human feedback has the potential to greatly improve overall parse accuracy. Furthermore, we develop a pipeline for dialogue simulation to evaluate our framework w.r.t. a variety of state-of-the-art KBQA models without involving further crowdsourcing effort. The results demonstrate that our interactive semantic parsing framework promises to be effective across such models.