Supervised Fine-Tuning (SFT) is an effective method for adapting Large Language Models (LLMs) on downstream tasks. However, variability in training data can hinder a model's ability to generalize across domains. This paper studies the problem of dataset alignment for Natural Language to SQL (NL2SQL or text to SQL), examining how well SFT training data matches the structural characteristics of target queries and how this alignment impacts model performance. We hypothesize that alignment can be accurately estimated by comparing the distributions of structural SQL features across the training set, target data, and the model's predictions prior to SFT. Through comprehensive experiments on three large cross-domain NL2SQL benchmarks and multiple model families, we show that structural alignment is a strong predictor of fine-tuning success. When alignment is high, SFT yields substantial gains in accuracy and SQL generation quality; when alignment is low, improvements are marginal or absent. These findings highlight the importance of alignment-aware data selection for effective fine-tuning and generalization in NL2SQL tasks.

Large Action Models (LAMs) for AI Agents offer incredible potential but face challenges due to the need for high-quality training data, especially for multi-steps tasks that involve planning, executing tool calls, and responding to feedback. To address these issues, we present LAM SIMULATOR, a comprehensive framework designed for online exploration of agentic tasks with high-quality feedback. Our framework features a dynamic task query generator, an extensive collection of tools, and an interactive environment where Large Language Model (LLM) Agents can call tools and receive real-time feedback. This setup enables LLM Agents to explore and solve tasks autonomously, facilitating the discovery of multiple approaches to tackle any given task. The resulting action trajectory data are then used to create high-quality training datasets for LAMs. Our experiments on popular agentic benchmarks, ToolBench and CRMArena, highlight the effectiveness of LAM SIMULATOR: models trained with self-generated datasets using our framework achieve significant performance gains, up to a 49.3\% improvement over their original baselines. LAM SIMULATOR requires minimal human input during dataset creation, highlighting LAM SIMULATOR's efficiency and effectiveness in speeding up development of AI agents.

Recent advances in large language models (LLMs) have demonstrated remarkable potential in the field of natural language processing. Unfortunately, LLMs face significant security and ethical risks. Although techniques such as safety alignment are developed for defense, prior researches reveal the possibility of bypassing such defenses through well-designed jailbreak attacks. In this paper, we propose QueryAttack, a novel framework to systematically examine the generalizability of safety alignment. By treating LLMs as knowledge databases, we translate malicious queries in natural language into code-style structured query to bypass the safety alignment mechanisms of LLMs. We conduct extensive experiments on mainstream LLMs, ant the results show that QueryAttack achieves high attack success rates (ASRs) across LLMs with different developers and capabilities. We also evaluate QueryAttack's performance against common defenses, confirming that it is difficult to mitigate with general defensive techniques. To defend against QueryAttack, we tailor a defense method which can reduce ASR by up to 64\% on GPT-4-1106. The code of QueryAttack can be found on https://anonymous.4open.science/r/QueryAttack-334B.

Query rewrite is essential for optimizing SQL queries to improve their execution efficiency without changing their results. Traditionally, this task has been tackled through heuristic and learning-based methods, each with its limitations in terms of inferior quality and low robustness. Recent advancements in LLMs offer a new paradigm by leveraging their superior natural language and code comprehension abilities. Despite their potential, directly applying LLMs like GPT-4 has faced challenges due to problems such as hallucinations, where the model might generate inaccurate or irrelevant results. To address this, we propose R-Bot, an LLM-based query rewrite system with a systematic approach. We first design a multi-source rewrite evidence preparation pipeline to generate query rewrite evidences for guiding LLMs to avoid hallucinations. We then propose a hybrid structure-semantics retrieval method that combines structural and semantic analysis to retrieve the most relevant rewrite evidences for effectively answering an online query. We next propose a step-by-step LLM rewrite method that iteratively leverages the retrieved evidences to select and arrange rewrite rules with self-reflection. We conduct comprehensive experiments on widely used benchmarks, and demonstrate the superior performance of our system, R-Bot, surpassing state-of-the-art query rewrite methods.

Background. Endowing intelligent systems with semantic data commonly requires designing and instantiating ontologies with domain-specific knowledge. Especially in the early phases, those activities are typically performed manually by human experts possibly leveraging on their own experience. The resulting process is therefore time-consuming, error-prone, and often biased by the personal background of the ontology designer. Objective. To mitigate that issue, we propose a novel domain-independent approach to automatically instantiate ontologies with domain-specific knowledge, by leveraging on large language models (LLMs) as oracles. Method. Starting from (i) an initial schema composed by inter-related classes andproperties and (ii) a set of query templates, our method queries the LLM multiple times, and generates instances for both classes and properties from its replies. Thus, the ontology is automatically filled with domain-specific knowledge, compliant to the initial schema. As a result, the ontology is quickly and automatically enriched with manifold instances, which experts may consider to keep, adjust, discard, or complement according to their own needs and expertise. Contribution. We formalise our method in general way and instantiate it over various LLMs, as well as on a concrete case study. We report experiments rooted in the nutritional domain where an ontology of food meals and their ingredients is semi-automatically instantiated from scratch, starting from a categorisation of meals and their relationships. There, we analyse the quality of the generated ontologies and compare ontologies attained by exploiting different LLMs. Finally, we provide a SWOT analysis of the proposed method.

Feature augmentation from one-to-many relationship tables is a critical but challenging problem in ML model development. To augment good features, data scientists need to come up with SQL queries manually, which is time-consuming. Featuretools [1] is a widely used tool by the data science community to automatically augment the training data by extracting new features from relevant tables. It represents each feature as a group-by aggregation SQL query on relevant tables and can automatically generate these SQL queries. However, it does not include predicates in these queries, which significantly limits its application in many real-world scenarios. To overcome this limitation, we propose FEATAUG, a new feature augmentation framework that automatically extracts predicate-aware SQL queries from one-to-many relationship tables. This extension is not trivial because considering predicates will exponentially increase the number of candidate queries. As a result, the original Featuretools framework, which materializes all candidate queries, will not work and needs to be redesigned. We formally define the problem and model it as a hyperparameter optimization problem. We discuss how the Bayesian Optimization can be applied here and propose a novel warm-up strategy to optimize it. To make our algorithm more practical, we also study how to identify promising attribute combinations for predicates. We show that how the beam search idea can partially solve the problem and propose several techniques to further optimize it. Our experiments on four real-world datasets demonstrate that FeatAug extracts more effective features compared to Featuretools and other baselines. The code is open-sourced at https://github.com/sfu-db/FeatAug

Molecular core structures and R-groups are essential concepts in drug development. Integration of these concepts with conventional graph pre-training approaches can promote deeper understanding in molecules. We propose MolPLA, a novel pre-training framework that employs masked graph contrastive learning in understanding the underlying decomposable parts inmolecules that implicate their core structure and peripheral R-groups. Furthermore, we formulate an additional framework that grants MolPLA the ability to help chemists find replaceable R-groups in lead optimization scenarios. Experimental results on molecular property prediction show that MolPLA exhibits predictability comparable to current state-of-the-art models. Qualitative analysis implicate that MolPLA is capable of distinguishing core and R-group sub-structures, identifying decomposable regions in molecules and contributing to lead optimization scenarios by rationally suggesting R-group replacements given various query core templates. The code implementation for MolPLA and its pre-trained model checkpoint is available at https://github.com/dmis-lab/MolPLA

In a modern DBMS, working memory is frequently the limiting factor when processing in-memory analytic query operations such as joins, sorting, and aggregation. Existing resource estimation approaches for a DBMS estimate the resource consumption of a query by computing an estimate of each individual database operator in the query execution plan. Such an approach is slow and error-prone as it relies upon simplifying assumptions, such as uniformity and independence of the underlying data. Additionally, the existing approach focuses on individual queries separately and does not factor in other queries in the workload that may be executed concurrently. In this research, we are interested in query performance optimization under concurrent execution of a batch of queries (a workload). Specifically, we focus on predicting the memory demand for a workload rather than providing separate estimates for each query within it. We introduce the problem of workload memory prediction and formalize it as a distribution regression problem. We propose Learned Workload Memory Prediction (LearnedWMP) to improve and simplify estimating the working memory demands of workloads. Through a comprehensive experimental evaluation, we show that LearnedWMP reduces the memory estimation error of the state-of-the-practice method by up to 47.6%. Compared to an alternative single-query model, during training and inferencing, the LearnedWMP model and its variants were 3x to 10x faster. Moreover, LearnedWMP-based models were at least 50% smaller in most cases. Overall, the results demonstrate the advantages of the LearnedWMP approach and its potential for a broader impact on query performance optimization.

Incomplete utterance rewriting has recently raised wide attention. However, previous works do not consider the semantic structural information between incomplete utterance and rewritten utterance or model the semantic structure implicitly and insufficiently. To address this problem, we propose a QUEry-Enhanced Network (QUEEN). Firstly, our proposed query template explicitly brings guided semantic structural knowledge between the incomplete utterance and the rewritten utterance making model perceive where to refer back to or recover omitted tokens. Then, we adopt a fast and effective edit operation scoring network to model the relation between two tokens. Benefiting from proposed query template and the well-designed edit operation scoring network, QUEEN achieves state-of-the-art performance on several public datasets.

We propose a novel approach to learn domainspecific plausible materials for components in the vehicle repair domain by probing Pretrained Language Models (PLMs) in a cloze task style setting to overcome the lack of annotated datasets. We devise a new method to aggregate salient predictions from a set of cloze query templates and show that domainadaptation using either a small, high-quality or a customized Wikipedia corpus boosts performance. When exploring resource-lean alternatives, we find a distilled PLM clearly outperforming Figure 1: Conceptual overview for learning domainspecific a classic pattern-based algorithm. Further, plausible materials (e.g., aluminium) for vehicle given that 98% of our domain-specific components (e.g., engine valves rocker arm).