SQL-Trail: Multi-Turn Reinforcement Learning with Interleaved Feedback for Text-to-SQL

While large language models (LLMs) have substantially improved Text-to-SQL generation, a pronounced gap remains between AI systems and human experts on challenging benchmarks such as BIRD-SQL. We argue this gap stems largely from the prevailing single-pass paradigm, which lacks the iterative reasoning, schema exploration, and error-correction behaviors that humans naturally employ. To address this limitation, we introduce SQL-Trail, a multi-turn reinforcement learning (RL) agentic framework for Text-to-SQL. Rather than producing a query in one shot, SQL-Trail interacts with the database environment and uses execution feedback to iteratively refine its predictions. Our approach centers on two key ideas: (i) an adaptive turn-budget allocation mechanism that scales the agent's interaction depth to match question difficulty, and (ii) a composite reward panel that jointly incentivizes SQL correctness and efficient exploration. Across benchmarks, SQL-Trail sets a new state of the art and delivers strong data efficiency--up to 18x higher than prior single-pass RL state-of-the-art methods. Notably, our 7B and 14B models outperform substantially larger proprietary systems by 5% on average, underscoring the effectiveness of interactive, agentic workflows for robust Text-to-SQL generation.

VeriCoT: Neuro-symbolic Chain-of-Thought Validation via Logical Consistency Checks

LLMs can perform multi-step reasoning through Chain-of-Thought (CoT), but they cannot reliably verify their own logic. Even when they reach correct answers, the underlying reasoning may be flawed, undermining trust in high-stakes scenarios. To mitigate this issue, we introduce VeriCoT, a neuro-symbolic method that extracts and verifies formal logical arguments from CoT reasoning. VeriCoT formalizes each CoT reasoning step into first-order logic and identifies premises that ground the argument in source context, commonsense knowledge, or prior reasoning steps. The symbolic representation enables automated solvers to verify logical validity while the NL premises allow humans and systems to identify ungrounded or fallacious reasoning steps. Experiments on the ProofWriter, LegalBench, and BioASQ datasets show VeriCoT effectively identifies flawed reasoning, and serves as a strong predictor of final answer correctness. We also leverage VeriCoT's verification signal for (1) inference-time self-reflection, (2) supervised fine-tuning (SFT) on VeriCoT-distilled datasets and (3) preference fine-tuning (PFT) with direct preference optimization (DPO) using verification-based pairwise rewards, further improving reasoning validity and accuracy.

Hierarchical Lexical Graph for Enhanced Multi-Hop Retrieval

Retrieval-Augmented Generation (RAG) grounds large language models in external evidence, yet it still falters when answers must be pieced together across semantically distant documents. We close this gap with the Hierarchical Lexical Graph (HLG), a three-tier index that (i) traces every atomic proposition to its source, (ii) clusters propositions into latent topics, and (iii) links entities and relations to expose cross-document paths. On top of HLG we build two complementary, plug-and-play retrievers: StatementGraphRAG, which performs fine-grained entity-aware beam search over propositions for high-precision factoid questions, and TopicGraphRAG, which selects coarse topics before expanding along entity links to supply broad yet relevant context for exploratory queries. Additionally, existing benchmarks lack the complexity required to rigorously evaluate multi-hop summarization systems, often focusing on single-document queries or limited datasets. To address this, we introduce a synthetic dataset generation pipeline that curates realistic, multi-document question-answer pairs, enabling robust evaluation of multi-hop retrieval systems. Extensive experiments across five datasets demonstrate that our methods outperform naive chunk-based RAG achieving an average relative improvement of 23.1% in retrieval recall and correctness. Open-source Python library is available at https://github.com/awslabs/graphrag-toolkit.

MLZero: A Multi-Agent System for End-to-end Machine Learning Automation

Existing AutoML systems have advanced the automation of machine learning (ML); however, they still require substantial manual configuration and expert input, particularly when handling multimodal data. We introduce MLZero, a novel multi-agent framework powered by Large Language Models (LLMs) that enables end-to-end ML automation across diverse data modalities with minimal human intervention. A cognitive perception module is first employed, transforming raw multimodal inputs into perceptual context that effectively guides the subsequent workflow. To address key limitations of LLMs, such as hallucinated code generation and outdated API knowledge, we enhance the iterative code generation process with semantic and episodic memory. MLZero demonstrates superior performance on MLE-Bench Lite, outperforming all competitors in both success rate and solution quality, securing six gold medals. Additionally, when evaluated on our Multimodal AutoML Agent Benchmark, which includes 25 more challenging tasks spanning diverse data modalities, MLZero outperforms the competing methods by a large margin with a success rate of 0.92 (+263.6\%) and an average rank of 2.28. Our approach maintains its robust effectiveness even with a compact 8B LLM, outperforming full-size systems from existing solutions.

Teaching Large Language Models to Reason through Learning and Forgetting

Leveraging inference-time search in large language models has proven effective in further enhancing a trained model's capability to solve complex mathematical and reasoning problems. However, this approach significantly increases computational costs and inference time, as the model must generate and evaluate multiple candidate solutions to identify a viable reasoning path. To address this, we propose an effective approach that integrates search capabilities directly into the model by fine-tuning it using both successful (learning) and failed reasoning paths (forgetting) derived from diverse search methods. While fine-tuning the model with these data might seem straightforward, we identify a critical issue: the model's search capability tends to degrade rapidly if fine-tuning is performed naively. We show that this degradation can be substantially mitigated by employing a smaller learning rate. Extensive experiments on the challenging Game-of-24 and Countdown mathematical reasoning benchmarks show that our approach not only outperforms both standard fine-tuning and inference-time search baselines but also significantly reduces inference time by 180$\times$.

From Demonstrations to Rewards: Alignment Without Explicit Human Preferences

One of the challenges of aligning large models with human preferences lies in both the data requirements and the technical complexities of current approaches. Predominant methods, such as RLHF, involve multiple steps, each demanding distinct types of data, including demonstration data and preference data. In RLHF, human preferences are typically modeled through a reward model, which serves as a proxy to guide policy learning during the reinforcement learning stage, ultimately producing a policy aligned with human preferences. However, in this paper, we propose a fresh perspective on learning alignment based on inverse reinforcement learning principles, where the optimal policy is still derived from reward maximization. However, instead of relying on preference data, we directly learn the reward model from demonstration data. This new formulation offers the flexibility to be applied even when only demonstration data is available, a capability that current RLHF methods lack, and it also shows that demonstration data offers more utility than what conventional wisdom suggests. Our extensive evaluation, based on public reward benchmark, HuggingFace Open LLM Leaderboard and MT-Bench, demonstrates that our approach compares favorably to state-of-the-art methods that rely solely on demonstration data.

AutoG: Towards automatic graph construction from tabular data

Recent years have witnessed significant advancements in graph machine learning (GML), with its applications spanning numerous domains. However, the focus of GML has predominantly been on developing powerful models, often overlooking a crucial initial step: constructing suitable graphs from common data formats, such as tabular data. This construction process is fundamental to applying graphbased models, yet it remains largely understudied and lacks formalization. Our research aims to address this gap by formalizing the graph construction problem and proposing an effective solution. We identify two critical challenges to achieve this goal: 1. The absence of dedicated datasets to formalize and evaluate the effectiveness of graph construction methods, and 2. Existing automatic construction methods can only be applied to some specific cases, while tedious human engineering is required to generate high-quality graphs. To tackle these challenges, we present a two-fold contribution. First, we introduce a set of datasets to formalize and evaluate graph construction methods. Second, we propose an LLM-based solution, AutoG, automatically generating high-quality graph schemas without human intervention. The experimental results demonstrate that the quality of constructed graphs is critical to downstream task performance, and AutoG can generate high-quality graphs that rival those produced by human experts.

HybGRAG: Hybrid Retrieval-Augmented Generation on Textual and Relational Knowledge Bases

Given a semi-structured knowledge base (SKB), where text documents are interconnected by relations, how can we effectively retrieve relevant information to answer user questions? Retrieval-Augmented Generation (RAG) retrieves documents to assist large language models (LLMs) in question answering; while Graph RAG (GRAG) uses structured knowledge bases as its knowledge source. However, many questions require both textual and relational information from SKB - referred to as "hybrid" questions - which complicates the retrieval process and underscores the need for a hybrid retrieval method that leverages both information. In this paper, through our empirical analysis, we identify key insights that show why existing methods may struggle with hybrid question answering (HQA) over SKB. Based on these insights, we propose HybGRAG for HQA consisting of a retriever bank and a critic module, with the following advantages: (1) Agentic, it automatically refines the output by incorporating feedback from the critic module, (2) Adaptive, it solves hybrid questions requiring both textual and relational information with the retriever bank, (3) Interpretable, it justifies decision making with intuitive refinement path, and (4) Effective, it surpasses all baselines on HQA benchmarks. In experiments on the STaRK benchmark, HybGRAG achieves significant performance gains, with an average relative improvement in Hit@1 of 51%.

Pushing the Limits of All-Atom Geometric Graph Neural Networks: Pre-Training, Scaling and Zero-Shot Transfer

Constructing transferable descriptors for conformation representation of molecular and biological systems finds numerous applications in drug discovery, learning-based molecular dynamics, and protein mechanism analysis. Geometric graph neural networks (Geom-GNNs) with all-atom information have transformed atomistic simulations by serving as a general learnable geometric descriptors for downstream tasks including prediction of interatomic potential and molecular properties. However, common practices involve supervising Geom-GNNs on specific downstream tasks, which suffer from the lack of high-quality data and inaccurate labels leading to poor generalization and performance degradation on out-of-distribution (OOD) scenarios. In this work, we explored the possibility of using pre-trained Geom-GNNs as transferable and highly effective geometric descriptors for improved generalization. To explore their representation power, we studied the scaling behaviors of Geom-GNNs under self-supervised pre-training, supervised and unsupervised learning setups. We find that the expressive power of different architectures can differ on the pre-training task. Interestingly, Geom-GNNs do not follow the power-law scaling on the pre-training task, and universally lack predictable scaling behavior on the supervised tasks with quantum chemical labels important for screening and design of novel molecules. More importantly, we demonstrate how all-atom graph embedding can be organically combined with other neural architectures to enhance the expressive power. Meanwhile, the low-dimensional projection of the latent space shows excellent agreement with conventional geometrical descriptors.

DeCaf: A Causal Decoupling Framework for OOD Generalization on Node Classification

Graph Neural Networks (GNNs) are susceptible to distribution shifts, creating vulnerability and security issues in critical domains. There is a pressing need to enhance the generalizability of GNNs on out-of-distribution (OOD) test data. Existing methods that target learning an invariant (feature, structure)-label mapping often depend on oversimplified assumptions about the data generation process, which do not adequately reflect the actual dynamics of distribution shifts in graphs. In this paper, we introduce a more realistic graph data generation model using Structural Causal Models (SCMs), allowing us to redefine distribution shifts by pinpointing their origins within the generation process. Building on this, we propose a casual decoupling framework, DeCaf, that independently learns unbiased feature-label and structure-label mappings. We provide a detailed theoretical framework that shows how our approach can effectively mitigate the impact of various distribution shifts. We evaluate DeCaf across both real-world and synthetic datasets that demonstrate different patterns of shifts, confirming its efficacy in enhancing the generalizability of GNNs.