Retrieval-augmented generation (RAG), while effective in integrating external knowledge to enhance large language models (LLMs), can be undermined by imperfect retrieval, which may introduce irrelevant, misleading, or even malicious information.Despite its importance, previous studies have rarely explored the behavior of RAG with errors from imperfect retrieval, and how potential conflicts arise between the LLMs' internal knowledge and external sources.We show that imperfect retrieval augmentation might be inevitable and quite harmful, through controlled analysis under realistic conditions.Knowledge conflicts between LLM-internal and external knowledge from retrieval is a bottleneck to overcome in the post-retrieval stage of RAG.To render LLMs resilient to imperfect retrieval, we propose ASTUTE RAG, a novel RAG approach that adaptively elicits essential information from LLMs' internal knowledge, iteratively consolidates internal and external knowledge with source-awareness, and finalizes the answer according to information reliability.Our experiments with Gemini and Claude demonstrate that ASTUTE RAG significantly outperforms previous robustness-enhanced RAG methods.Notably, ASTUTE RAG is the only approach that matches or exceeds the performance of LLMs without RAG under worst-case scenarios.ASTUTE RAG effectively resolves knowledge conflicts, improving the reliability and trustworthiness of RAG systems.45.4% LLM correct RAG correct LLM incorrect RAG incorrect Both sides are wrong.It is hard to improve, but combining internal and external knowledge may help.Previous work leverages RAG to address LLMs' knowledge gap.Zonia receives from Reuben a letter in the play.Zonia receives from Reuben a kiss in the play

Large language models (LLMs), optimized through human feedback, have rapidly emerged as a leading paradigm for developing intelligent conversational assistants. However, despite their strong performance across many benchmarks, LLM-based agents might still lack conversational skills such as disambiguation -- when they are faced with ambiguity, they often overhedge or implicitly guess users' true intents rather than asking clarification questions. Under task-specific settings, high-quality conversation samples are often limited, constituting a bottleneck for LLMs' ability to learn optimal dialogue action policies. We propose Action-Based Contrastive Self-Training (ACT), a quasi-online preference optimization algorithm based on Direct Preference Optimization (DPO), that enables data-efficient dialogue policy learning in multi-turn conversation modeling. We demonstrate ACT's efficacy under data-efficient tuning scenarios, even when there is no action label available, using multiple real-world conversational tasks: tabular-grounded question-answering, machine reading comprehension, and AmbigSQL, a novel task for disambiguating information-seeking requests for complex SQL generation towards data analysis agents. Additionally, we propose evaluating LLMs' ability to function as conversational agents by examining whether they can implicitly recognize and reason about ambiguity in conversation. ACT demonstrates substantial conversation modeling improvements over standard tuning approaches like supervised fine-tuning and DPO.

Real-world enterprise text-to-SQL workflows often involve complex cloud or local data across various database systems, multiple SQL queries in various dialects, and diverse operations from data transformation to analytics. We introduce Spider 2.0, an evaluation framework comprising $632$ real-world text-to-SQL workflow problems derived from enterprise-level database use cases. The databases in Spider 2.0 are sourced from real data applications, often containing over 1,000 columns and stored in local or cloud database systems such as BigQuery and Snowflake. We show that solving problems in Spider 2.0 frequently requires understanding and searching through database metadata, dialect documentation, and even project-level codebases. This challenge calls for models to interact with complex SQL workflow environments, process extremely long contexts, perform intricate reasoning, and generate multiple SQL queries with diverse operations, often exceeding $100$ lines, which goes far beyond traditional text-to-SQL challenges. Our evaluations indicate that based on o1-preview, our code agent framework successfully solves only 21.3\% of the tasks, compared with 91.2\% on Spider 1.0 and 73.0\% on BIRD. Our results on Spider 2.0 show that while language models have demonstrated remarkable performance in code generation --- especially in prior text-to-SQL benchmarks --- they require significant improvement in order to achieve adequate performance for real-world enterprise usage. Progress on Spider 2.0 represents crucial steps towards developing intelligent, autonomous, code agents for real-world enterprise settings. Our code, baseline models, and data are available at [spider2-sql.github.io](spider2-sql.github.io) .

We present CHASE-SQL, a novel framework addressing large language model (LLM) performance challenges for Text-to-SQL tasks by leveraging multi-agent modeling and test-time compute for improved candidate generation and selection. CHASE-SQL uses LLMs to generate diverse SQL candidates with: (1) a divide-and-conquer approach to break down complex queries, (2) chain-of-thought reasoning based on query execution plans, and (3) instance-aware synthetic example generation for tailored few-shot demonstrations. A selection agent ranks candidates via pairwise comparisons using a fine-tuned binary selection LLM, offering robust performance. This framework improves SQL query quality and diversity, achieving state-of-the-art execution accuracy of 73.0% on the BIRD Text-to-SQL benchmark test set, topping the leaderboard at the time of submission.

Autonomous agents powered by large language models (LLMs) have the potential to enhance human capabilities, assisting with digital tasks from sending emails to performing data analysis. The abilities of existing LLMs at such tasks are often hindered by the lack of high-quality agent data from the corresponding environments they interact with. We propose LEARN-BY-INTERACT, a data-centric framework to adapt LLM agents to any given environments without human annotations. LEARN-BY-INTERACT synthesizes trajectories of agent-environment interactions based on documentations, and constructs instructions by summarizing or abstracting the interaction histories, a process called backward construction. We assess the quality of our synthetic data by using them in both training-based scenarios and training-free in-context learning (ICL), where we craft innovative retrieval approaches optimized for agents. Extensive experiments on SWE-bench, WebArena, OSWorld, and Spider2-V spanning across realistic coding, web, and desktop environments show the effectiveness of LEARN-BY-INTERACT in various downstream agentic tasks — baseline results are improved up to 11.1% for ICL with Claude-3.5 and 23.1% for training with Codestral-22B. We further demonstrate the critical role of backward construction, which provides up to 10.6% improvement for training. Our ablation studies demonstrate the efficiency provided by our synthesized data in ICL and the superiority of our retrieval pipeline over alternative approaches like conventional retrieval-augmented generation (RAG). We expect that LEARN-BY-INTERACT will serve as a foundation for agent data synthesis as LLMs are increasingly deployed at real-world environments.

Existing retrieval benchmarks primarily consist of information-seeking queries (e.g., aggregated questions from search engines) where keyword or semantic-based retrieval is usually sufficient. However, many complex real-world queries require in-depth reasoning to identify relevant documents that go beyond surface form matching. For example, finding documentation for a coding question requires understanding the logic and syntax of the functions involved. To better benchmark retrieval on such challenging queries, we introduce BRIGHT, the first text retrieval benchmark that requires intensive reasoning to retrieve relevant documents. Our dataset consists of 1,398 real-world queries spanning diverse domains such as economics, psychology, mathematics, coding, and more. These queries are drawn from naturally occurring or carefully curated human data. Extensive evaluation reveals that even state-of-the-art retrieval models perform poorly on BRIGHT. The leading model on the MTEB leaderboard (Muennighoff et al., 2023), which achieves a score of 59.0 nDCG@10,1 produces a score of nDCG@10 of 18.0 on BRIGHT. We show that incorporating explicit reasoning about the query improves retrieval performance by up to 12.2 points. Moreover, incorporating retrieved documents from the top-performing retriever boosts question answering performance by over 6.6 points. We believe that BRIGHT paves the way for future research on retrieval systems in more realistic and challenging settings.

Recent advances in long-context large language models (LLMs) have led to the emerging paradigm of many-shot in-context learning (ICL), where it is observed that scaling many more demonstrating examples beyond the conventional few-shot setup in the context can lead to performance benefits. However, despite its promise, it is unclear what aspects dominate the benefits and whether simply scaling to more examples is the most effective way of improving many-shot ICL. In this work, we first provide an analysis on the factors driving many-shot ICL, and we find that 1) many-shot performance can still be attributed to often a few disproportionately influential examples and 2) identifying such influential examples ("optimize") and using them as demonstrations to regenerate new examples ("generate") can lead to further improvements. Inspired by the findings, we propose BRIDGE, an algorithm that alternates between the optimize step with Bayesian optimization to discover the influential sets of examples and the generate step to reuse this set to expand the reasoning paths of the examples back to the many-shot regime automatically. On Gemini, Claude, and Mistral LLMs of different sizes, we show BRIDGE led to significant improvements across a diverse set of tasks including symbolic reasoning, numerical reasoning and code generation.

Xi Ye, Ruoxi Sun, Sercan Arik, Tomas Pfister. Proceedings of the 2024 Conference of the North American Chapter of the Association for Computational Linguistics: Human Language Technologies (Volume 1: Long Papers). 2024.

Data science and engineering workflows often span multiple stages, from warehousing to orchestration, using tools like BigQuery, dbt, and Airbyte. As vision language models (VLMs) advance in multimodal understanding and code generation, VLM-based agents could potentially automate these workflows by generating SQL queries, Python code, and GUI operations. This automation can improve the productivity of experts while democratizing access to large-scale data analysis. In this paper, we introduce Spider2-V, the first multimodal agent benchmark focusing on professional data science and engineering workflows, featuring 494 real-world tasks in authentic computer environments and incorporating 20 enterprise-level professional applications. These tasks, derived from real-world use cases, evaluate the ability of a multimodal agent to perform data-related tasks by writing code and managing the GUI in enterprise data software systems. To balance realistic simulation with evaluation simplicity, we devote significant effort to developing automatic configurations for task setup and carefully crafting evaluation metrics for each task. Furthermore, we supplement multimodal agents with comprehensive documents of these enterprise data software systems. Our empirical evaluation reveals that existing state-of-the-art LLM/VLM-based agents do not reliably automate full data workflows (14.0% success). Even with step-by-step guidance, these agents still underperform in tasks that require fine-grained, knowledge-intensive GUI actions (16.2%) and involve remote cloud-hosted workspaces (10.6%). We hope that Spider2-V paves the way for autonomous multimodal agents to transform the automation of data science and engineering workflow. Our code and data are available at https://spider2-v.github.io.

Large language models have demonstrated remarkable capabilities but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar optimization, EO). Despite their shared objective, these have evolved rather independently, with IO receiving more research attention recently. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and EO techniques both isolation and combination on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars, consistently improves performance on top of IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with EO strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe a synergy between EO and IO, with optimal combinations surpassing the individual contributions. We conclude that studying exemplar optimization both as a standalone method and its optimal combination with instruction optimization remain a crucial aspect of APO and deserve greater consideration in future research, even in the era of highly capable instruction-following models.

Addressing the challenge of effectively processing long contexts has become a critical issue for Large Language Models (LLMs). Two common strategies have emerged: 1) reducing the input length, such as retrieving relevant chunks by Retrieval-Augmented Generation (RAG), and 2) expanding the context window limit of LLMs. However, both strategies have drawbacks: input reduction has no guarantee of covering the part with needed information, while window extension struggles with focusing on the pertinent information for solving the task. To mitigate these limitations, we propose Chain-of-Agents (CoA), a novel framework that harnesses multi-agent collaboration through natural language to enable information aggregation and context reasoning across various LLMs over long-context tasks. CoA consists of multiple worker agents who sequentially communicate to handle different segmented portions of the text, followed by a manager agent who synthesizes these contributions into a coherent final output. CoA processes the entire input by interleaving reading and reasoning, and it mitigates long context focus issues by assigning each agent a short context. We perform a comprehensive evaluation of CoA on a wide range of long-context tasks in question answering, summarization, and code completion, demonstrating significant improvements by up to 10% over strong baselines of RAG, Full-Context, and multi-agent LLMs.

Accurate estimation of output quantiles is crucial in many use cases, where it is desired to model the range of possibility. Modeling target distribution at arbitrary quantile levels and at arbitrary input attribute levels are important to offer a comprehensive picture of the data, and requires the quantile function to be expressive enough. The quantile function describing the target distribution using quantile levels is critical for quantile regression. Although various parametric forms for the distributions (that the quantile function specifies) can be adopted, an everlasting problem is selecting the most appropriate one that can properly approximate the data distributions. In this paper, we propose a non-parametric and data-driven approach, Neural Spline Search (NSS), to represent the observed data distribution without parametric assumptions. NSS is flexible and expressive for modeling data distributions by transforming the inputs with a series of monotonic spline regressions guided by symbolic operators. We demonstrate that NSS outperforms previous methods on synthetic, real-world regression and time-series forecasting tasks.

A hallmark of modern large language models (LLMs) is their impressive general zero-shot and few-shot abilities, often elicited through in-context learning (ICL) via prompting.However, while highly coveted and being the most general, zero-shot performances in LLMs are still typically weaker due to the lack of guidance and the difficulty of applying existing automatic prompt design methods in general tasks when ground-truth labels are unavailable.In this study, we address this by presenting Universal Self-Adaptive Prompting (USP), an automatic prompt design approach specifically tailored for zero-shot learning (while compatible with few-shot).Requiring only a small amount of unlabeled data and an inferenceonly LLM, USP is highly versatile: to achieve universal prompting, USP categorizes a possible NLP task into one of the three possible task types and then uses a corresponding selector to select the most suitable queries and zero-shot model-generated responses as pseudo-demonstrations, thereby generalizing ICL to the zero-shot setup in a fully automated way.We evaluate USP with PaLM and PaLM 2 models and demonstrate performances that are considerably stronger than standard zero-shot baselines and often comparable to or even superior to few-shot baselines across more than 40 natural language understanding, natural language generation, and reasoning tasks.

The mainstream paradigm behind continual learning has been to adapt the model parameters to non-stationary data distributions, where catastrophic forgetting is the central challenge. Typical methods rely on a rehearsal buffer or known task identity at test time to retrieve learned knowl-edge and address forgetting, while this work presents a new paradigm for continual learning that aims to train a more succinct memory system without accessing task identity at test time. Our method learns to dynamically prompt (L2P) a pre-trained model to learn tasks sequen-tially under different task transitions. In our proposed framework, prompts are small learnable parameters, which are maintained in a memory space. The objective is to optimize prompts to instruct the model prediction and ex-plicitly manage task-invariant and task-specific knowledge while maintaining model plasticity. We conduct comprehen-sive experiments under popular image classification bench-marks with different challenging continual learning set-tings, where L2P consistently outperforms prior state-of-the-art methods. Surprisingly, L2P achieves competitive results against rehearsal-based methods even without a re-hearsal buffer and is directly applicable to challenging task-agnostic continual learning. Source code is available at https://github.com/google-research/12p.

Extracting informative representations of molecules using Graph neural networks (GNNs) is crucial in AI-driven drug discovery. Recently, the graph research community has been trying to replicate the success of self-supervised pretraining in natural language processing, with several successes claimed. However, we find the benefit brought by self-supervised pretraining on small molecular data can be negligible in many cases. We conduct thorough ablation studies on the key components of GNN pretraining, including pretraining objectives, data splitting methods, input features, pretraining dataset scales, and GNN architectures, to see how they affect the accuracy of the downstream tasks. Our first important finding is, self-supervised graph pretraining do not always have statistically significant advantages over non-pretraining methods in many settings. Secondly, although noticeable improvement can be observed with additional supervised pretraining, the improvement may diminish with richer features or more balanced data splits. Thirdly, hyper-parameters could have larger impacts on accuracy of downstream tasks than the choice of pretraining tasks, especially when the scales of downstream tasks are small. Finally, we provide our conjectures where the complexity of some pretraining methods on small molecules might be insufficient, followed by empirical evidences on different pretraining datasets.

Learned optimizers are parametric algorithms that can themselves be trained to solve optimization problems. In contrast to baseline optimizers (such as momentum or Adam) that use simple update rules derived from theoretical principles, learned optimizers use flexible, high-dimensional, nonlinear parameterizations. Although this can lead to better performance, their inner workings remain a mystery. How is a given learned optimizer able to outperform a well tuned baseline? Has it learned a sophisticated combination of existing optimization techniques, or is it implementing completely new behavior? In this work, we address these questions by careful analysis and visualization of learned optimizers. We study learned optimizers trained from scratch on four disparate tasks, and discover that they have learned interpretable behavior, including: momentum, gradient clipping, learning rate schedules, and new forms of learning rate adaptation. Moreover, we show how dynamics and mechanisms inside of learned optimizers orchestrate these computations. Our results help elucidate the previously murky understanding of how learned optimizers work, and establish tools for interpreting future learned optimizers.

Retrosynthesis is the process of identifying a set of reactants to synthesize a target molecule. It is of vital importance to material design and drug discovery. Existing machine learning approaches based on language models and graph neural networks have achieved encouraging results. However, the inner connections of these models are rarely discussed, and rigorous evaluations of these models are largely in need. In this paper, we propose a framework that unifies sequence- and graph-based methods as energy-based models (EBMs) with different energy functions. This unified view establishes connections and reveals the differences between models, thereby enhancing our understanding of model design. We also provide a comprehensive assessment of performance to the community. Moreover, we present a novel dual variant within the framework that performs consistent training to induce the agreement between forward- and backward-prediction. This model improves the state-of-the-art of template-free methods with or without reaction types.