Despite long-standing efforts in accelerating scientific discovery with AI, building AI co-scientists remains challenging due to limited high-quality data for training and evaluation. To tackle this data scarcity issue, we present AutoSDT, an automatic pipeline that collects high-quality coding tasks in real-world data-driven discovery workflows. AutoSDT leverages the coding capabilities and parametric knowledge of LLMs to search for diverse sources, select ecologically valid tasks, and synthesize accurate task instructions and code solutions. Using our pipeline, we construct AutoSDT-5K, a dataset of 5,404 coding tasks for data-driven discovery that covers four scientific disciplines and 756 unique Python packages. To the best of our knowledge, AutoSDT-5K is the only automatically collected and the largest open dataset for data-driven scientific discovery. Expert feedback on a subset of 256 tasks shows the effectiveness of AutoSDT: 93% of the collected tasks are ecologically valid, and 92.2% of the synthesized programs are functionally correct. Trained on AutoSDT-5K, the Qwen2.5-Coder-Instruct LLM series, dubbed AutoSDT-Coder, show substantial improvement on two challenging data-driven discovery benchmarks, ScienceAgentBench and DiscoveryBench. Most notably, AutoSDT-Coder-32B reaches the same level of performance as GPT-4o on ScienceAgentBench with a success rate of 7.8%, doubling the performance of its base model. On DiscoveryBench, it lifts the hypothesis matching score to 8.1, bringing a 17.4% relative improvement and closing the gap between open-weight models and GPT-4o.

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 ChemAgent, an enhanced chemistry agent over ChemCrow, and conduct a comprehensive evaluation of its performance on both specialized chemistry tasks and general chemistry questions. Surprisingly, ChemAgent 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.

In this paper, we examine how large language models (LLMs) solve multi-step problems under a language agent framework with three components: a generator, a discriminator, and a planning method. We investigate the practical utility of two advanced planning methods, iterative correction and tree search. We present a comprehensive analysis of how discrimination accuracy affects the overall performance of agents when using these two methods or a simpler method, re-ranking. Experiments on two tasks, text-to-SQL parsing and mathematical reasoning, show that: (1) advanced planning methods demand discriminators with at least 90% accuracy to achieve significant improvements over re-ranking; (2) current LLMs’ discrimination abilities have not met the needs of advanced planning methods to achieve such improvements; (3) with LLM-based discriminators, advanced planning methods may not adequately balance accuracy and efficiency. For example, compared to the other two methods, tree search is at least 10–20 times slower but leads to negligible performance gains, which hinders its real-world applications.

Despite recent progress in text-to-SQL parsing, current semantic parsers are still not accurate enough for practical use. In this paper, we investigate how to build automatic text-to-SQL error correction models. Noticing that token-level edits are out of context and sometimes ambiguous, we propose building clause-level edit models instead. Besides, while most language models of code are not specifically pre-trained for SQL, they know common data structures and their operations in programming languages such as Python. Thus, we propose a novel representation for SQL queries and their edits that adheres more closely to the pre-training corpora of language models of code. Our error correction model improves the exact set match accuracy of different parsers by 2.4-6.5 and obtains up to 4.3 point absolute improvement over two strong baselines.

In-context learning with large language models (LLMs) has recently caught increasing attention due to its superior few-shot performance on various tasks. However, its performance on text-to-SQL parsing still has much room for improvement. In this paper, we hypothesize that a crucial aspect of LLMs to improve for text-to-SQL parsing is their multi-step reasoning ability. Thus, we systematically study how to enhance LLMs’ reasoning ability through chain of thought (CoT) style prompting, including the original chain-of-thought prompting and least-to-most prompting. Our experiments demonstrate that iterative prompting as in least-to-most prompting may be unnecessary for text-to-SQL parsing, and using detailed reasoning steps tends to have more error propagation issues. Based on these findings, we propose a new CoT-style prompting method for text-to-SQL parsing. It brings 5.2 and 6.5 point absolute gains on the Spider development set and the Spider Realistic set, respectively, compared to the standard prompting method without reasoning steps; 2.4 and 1.5 point absolute gains, compared to the least-to-most prompting method.

A recent focus of large language model (LLM) development, as exemplified by generative search engines, is to incorporate external references to generate and support its claims. However, evaluating the attribution, i.e., verifying whether the generated statement is fully supported by the cited reference, remains an open problem. Although human evaluation is common practice, it is costly and time-consuming. In this paper, we investigate automatic evaluation of attribution given by LLMs. We begin by defining different types of attribution errors, and then explore two approaches for automatic evaluation: prompting LLMs and fine-tuning smaller LMs. The fine-tuning data is repurposed from related tasks such as question answering, fact-checking, natural language inference, and summarization. We manually curate a set of test examples covering 12 domains from a generative search engine, New Bing. Our results on this curated test set and simulated examples from existing benchmarks highlight both promising signals and challenges. We hope our problem formulation, testbeds, and findings will help lay the foundation for future studies on this important problem.

Despite remarkable progress in text-to-SQL semantic parsing in recent years, the performance of existing parsers is still far from perfect. Specifically, modern text-to-SQL parsers based on deep learning are often over-confident, thus casting doubt on their trustworthiness when deployed for real use. In this paper, we propose a parser-independent error detection model for text-to-SQL semantic parsing. Using a language model of code as its bedrock, we enhance our error detection model with graph neural networks that learn structural features of both natural language questions and SQL queries. We train our model on realistic parsing errors collected from a cross-domain setting, which leads to stronger generalization ability. Experiments with three strong text-to-SQL parsers featuring different decoding mechanisms show that our approach outperforms parser-dependent uncertainty metrics. Our model could also effectively improve the performance and usability of text-to-SQL semantic parsers regardless of their architectures.

We introduce TacoBot, a user-centered task-oriented digital assistant designed to guide users through complex real-world tasks with multiple steps. Covering a wide range of cooking and how-to tasks, we aim to deliver a collaborative and engaging dialogue experience. Equipped with language understanding, dialogue management, and response generation components supported by a robust search engine, TacoBot ensures efficient task assistance. To enhance the dialogue experience, we explore a series of data augmentation strategies using LLMs to train advanced neural models continuously. TacoBot builds upon our successful participation in the inaugural Alexa Prize TaskBot Challenge, where our team secured third place among ten competing teams. We offer TacoBot as an open-source framework that serves as a practical example for deploying task-oriented dialogue systems.