arXiv subjects

Hanjun Dai

Publications and source records attributed to Hanjun Dai.

At least 19 recordsLinked to original sources

arXiv2025

Towards Better Instruction Following Retrieval Models

Modern information retrieval (IR) models, trained exclusively on standard pairs, struggle to effectively interpret and follow explicit user instructions. We introduce InF-IR, a large-scale, high-quality training corpus tailored for enhancing retrieval models in Instruction-Following IR. InF-IR expands traditional training pairs into over 38,000 expressive triplets as positive samples. In particular, for each positive triplet, we generate two additional hard negative examples by poisoning both instructions and queries, then rigorously validated by an advanced reasoning model (o3-mini) to ensure semantic plausibility while maintaining instructional incorrectness. Unlike existing corpora that primarily support computationally intensive reranking tasks for decoder-only language models, the highly contrastive positive-negative triplets in InF-IR further enable efficient representation learning for smaller encoder-only models, facilitating direct embedding-based retrieval. Using this corpus, we train InF-Embed, an instruction-aware Embedding model optimized through contrastive learning and instruction-query attention mechanisms to align retrieval outcomes precisely with user intents. Extensive experiments across five instruction-based retrieval benchmarks demonstrate that InF-Embed significantly surpasses competitive baselines by 8.1% in p-MRR, measuring the instruction-following capabilities.

cs.CL↗

arXiv2025

AmorLIP: Efficient Language-Image Pretraining via Amortization

Contrastive Language-Image Pretraining (CLIP) has demonstrated strong zero-shot performance across diverse downstream text-image tasks. Existing CLIP methods typically optimize a contrastive objective using negative samples drawn from each minibatch. To achieve robust representation learning, these methods require extremely large batch sizes and escalate computational demands to hundreds or even thousands of GPUs. Prior approaches to mitigate this issue often compromise downstream performance, prolong training duration, or face scalability challenges with very large datasets. To overcome these limitations, we propose AmorLIP, an efficient CLIP pretraining framework that amortizes expensive computations involved in contrastive learning through lightweight neural networks, which substantially improves training efficiency and performance. Leveraging insights from a spectral factorization of energy-based models, we introduce novel amortization objectives along with practical techniques to improve training stability. Extensive experiments across 38 downstream tasks demonstrate the superior zero-shot classification and retrieval capabilities of AmorLIP, consistently outperforming standard CLIP baselines with substantial relative improvements of up to 12.24%.

cs.LG↗

arXiv2024

Evaluating Molecule Synthesizability via Retrosynthetic Planning and Reaction Prediction

A significant challenge in wet lab experiments with current drug design generative models is the trade-off between pharmacological properties and synthesizability. Molecules predicted to have highly desirable properties are often difficult to synthesize, while those that are easily synthesizable tend to exhibit less favorable properties. As a result, evaluating the synthesizability of molecules in general drug design scenarios remains a significant challenge in the field of drug discovery. The commonly used synthetic accessibility (SA) score aims to evaluate the ease of synthesizing generated molecules, but it falls short of guaranteeing that synthetic routes can actually be found. Inspired by recent advances in top-down synthetic route generation and forward reaction prediction, we propose a new, data-driven metric to evaluate molecule synthesizability. This novel metric leverages the synergistic duality between retrosynthetic planners and reaction predictors, both of which are trained on extensive reaction datasets. To demonstrate the efficacy of our metric, we conduct a comprehensive evaluation of round-trip scores across a range of representative molecule generative models.

cs.LG↗

arXiv2024

Faster WIND: Accelerating Iterative Best-of-$N$ Distillation for LLM Alignment

Recent advances in aligning large language models with human preferences have corroborated the growing importance of best-of-N distillation (BOND). However, the iterative BOND algorithm is prohibitively expensive in practice due to the sample and computation inefficiency. This paper addresses the problem by revealing a unified game-theoretic connection between iterative BOND and self-play alignment, which unifies seemingly disparate algorithmic paradigms. Based on the connection, we establish a novel framework, WIN rate Dominance (WIND), with a series of efficient algorithms for regularized win rate dominance optimization that approximates iterative BOND in the parameter space. We provides provable sample efficiency guarantee for one of the WIND variant with the square loss objective. The experimental results confirm that our algorithm not only accelerates the computation, but also achieves superior sample efficiency compared to existing methods.

cs.LG↗

arXiv2024

Matryoshka Pilot: Learning to Drive Black-Box LLMs with LLMs

Despite the impressive generative abilities of black-box large language models (LLMs), their inherent opacity hinders further advancements in capabilities such as reasoning, planning, and personalization. Existing works aim to enhance LLM capabilities via domain-specific adaptation, which require additional training on accessible model parameters, an infeasible option for black-box LLMs. To address this challenge, we introduce Matryoshka Pilot (M-Pilot), a lightweight white-box LLM controller that guides a large-scale black-box LLM generator by decomposing complex tasks into a series of intermediate outputs. Specifically, we consider the black-box LLM as an environment, with M-Pilot serving as a policy to provide intermediate guidance through prompts for driving the black-box LLM. M-Pilot is trained to pivot the outputs of the black-box LLM aligning with preferences during iterative interaction, which enables controllable multi-turn generation and self-improvement in optimizing intermediate guidance. Empirical evaluations on diverse tasks demonstrate that our method effectively enhances the capabilities of black-box LLMs in complex, long-horizon tasks. Our code is publicly available at: https://github.com/lichangh20/Matryoshka.

cs.LG↗

arXiv2024

Autoregressive Large Language Models are Computationally Universal

We show that autoregressive decoding of a transformer-based language model can realize universal computation, without external intervention or modification of the model's weights. Establishing this result requires understanding how a language model can process arbitrarily long inputs using a bounded context. For this purpose, we consider a generalization of autoregressive decoding where, given a long input, emitted tokens are appended to the end of the sequence as the context window advances. We first show that the resulting system corresponds to a classical model of computation, a Lag system, that has long been known to be computationally universal. By leveraging a new proof, we show that a universal Turing machine can be simulated by a Lag system with 2027 production rules. We then investigate whether an existing large language model can simulate the behaviour of such a universal Lag system. We give an affirmative answer by showing that a single system-prompt can be developed for gemini-1.5-pro-001 that drives the model, under deterministic (greedy) decoding, to correctly apply each of the 2027 production rules. We conclude that, by the Church-Turing thesis, prompted gemini-1.5-pro-001 with extended autoregressive (greedy) decoding is a general purpose computer.

cs.CL↗

arXiv2024

UQE: A Query Engine for Unstructured Databases

Analytics on structured data is a mature field with many successful methods. However, most real world data exists in unstructured form, such as images and conversations. We investigate the potential of Large Language Models (LLMs) to enable unstructured data analytics. In particular, we propose a new Universal Query Engine (UQE) that directly interrogates and draws insights from unstructured data collections. This engine accepts queries in a Universal Query Language (UQL), a dialect of SQL that provides full natural language flexibility in specifying conditions and operators. The new engine leverages the ability of LLMs to conduct analysis of unstructured data, while also allowing us to exploit advances in sampling and optimization techniques to achieve efficient and accurate query execution. In addition, we borrow techniques from classical compiler theory to better orchestrate the workflow between sampling methods and foundation model calls. We demonstrate the efficiency of UQE on data analytics across different modalities, including images, dialogs and reviews, across a range of useful query types, including conditional aggregation, semantic retrieval and abstraction aggregation.

cs.DB↗

arXiv2024

Exploring and Benchmarking the Planning Capabilities of Large Language Models

Classical and natural language planning tasks remain a difficult domain for modern large language models (LLMs). In this work, we lay the foundations for improving planning capabilities of LLMs. First, we construct a comprehensive benchmark suite encompassing both classical planning benchmarks and natural language scenarios. This suite includes algorithms to methodically generate instances of tasks with varying levels of difficulty, allowing for rigorous and systematic evaluation of LLM performance. Next, we investigate the use of many-shot in-context learning to enhance LLM planning, exploring the relationship between increased context length and improved planning performance. In addition, we demonstrate the positive impact of fine-tuning LLMs on optimal planning paths. We also probe the efficacy of chain-of-thought reasoning methods to improve LLM planning performance. Moreover, we probe the performance of the proposed methods in out-of-distribution scenarios, assessing the ability to generalize to novel and unseen planning challenges. Finally, we investigate model's failure modes and reveal insights that hold true across different benchmarks.

cs.CL↗

arXiv2024

Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models

Molecule synthesis through machine learning is one of the fundamental problems in drug discovery. Current data-driven strategies employ one-step retrosynthesis models and search algorithms to predict synthetic routes in a top-bottom manner. Despite their effective performance, these strategies face limitations in the molecule synthetic route generation due to a greedy selection of the next molecule set without any lookahead. Furthermore, existing strategies cannot control the generation of synthetic routes based on possible criteria such as material costs, yields, and step count. In this work, we propose a general and principled framework via conditional residual energy-based models (EBMs), that focus on the quality of the entire synthetic route based on the specific criteria. By incorporating an additional energy-based function into our probabilistic model, our proposed algorithm can enhance the quality of the most probable synthetic routes (with higher probabilities) generated by various strategies in a plug-and-play fashion. Extensive experiments demonstrate that our framework can consistently boost performance across various strategies and outperforms previous state-of-the-art top-1 accuracy by a margin of 2.5%. Code is available at https://github.com/SongtaoLiu0823/CREBM.

cs.LG↗

arXiv2024

Value-Incentivized Preference Optimization: A Unified Approach to Online and Offline RLHF

Reinforcement learning from human feedback (RLHF) has demonstrated great promise in aligning large language models (LLMs) with human preference. Depending on the availability of preference data, both online and offline RLHF are active areas of investigation. A key bottleneck is understanding how to incorporate uncertainty estimation in the reward function learned from the preference data for RLHF, regardless of how the preference data is collected. While the principles of optimism or pessimism under uncertainty are well-established in standard reinforcement learning (RL), a practically-implementable and theoretically-grounded form amenable to large language models is not yet available, as standard techniques for constructing confidence intervals become intractable under arbitrary policy parameterizations. In this paper, we introduce a unified approach to online and offline RLHF -- value-incentivized preference optimization (VPO) -- which regularizes the maximum-likelihood estimate of the reward function with the corresponding value function, modulated by a $\textit{sign}$ to indicate whether the optimism or pessimism is chosen. VPO also directly optimizes the policy with implicit reward modeling, and therefore shares a simpler RLHF pipeline similar to direct preference optimization. Theoretical guarantees of VPO are provided for both online and offline settings, matching the rates of their standard RL counterparts. Moreover, experiments on text summarization and dialog verify the practicality and effectiveness of VPO.

cs.LG↗

arXiv2024

Beyond Expectations: Learning with Stochastic Dominance Made Practical

Stochastic dominance serves as a general framework for modeling a broad spectrum of decision preferences under uncertainty, with risk aversion as one notable example, as it naturally captures the intrinsic structure of the underlying uncertainty, in contrast to simply resorting to the expectations. Despite theoretical appeal, the application of stochastic dominance in machine learning has been scarce, due to the following challenges: $\textbf{i)}$, the original concept of stochastic dominance only provides a $\textit{partial order}$, and therefore, is not amenable to serve as a general optimality criterion; and $\textbf{ii)}$, an efficient computational recipe remains lacking due to the continuum nature of evaluating stochastic dominance. In this work, we make the first attempt towards establishing a general framework of learning with stochastic dominance. We first generalize the stochastic dominance concept to enable feasible comparisons between any arbitrary pair of random variables. We next develop a simple and computationally efficient approach for finding the optimal solution in terms of stochastic dominance, which can be seamlessly plugged into many learning tasks. Numerical experiments demonstrate that the proposed method achieves comparable performance as standard risk-neutral strategies and obtains better trade-offs against risk across a variety of applications including supervised learning, reinforcement learning, and portfolio optimization.

cs.LG↗

arXiv2023

SQLPrompt: In-Context Text-to-SQL with Minimal Labeled Data

Text-to-SQL aims to automate the process of generating SQL queries on a database from natural language text. In this work, we propose "SQLPrompt", tailored to improve the few-shot prompting capabilities of Text-to-SQL for Large Language Models (LLMs). Our methods include innovative prompt design, execution-based consistency decoding strategy which selects the SQL with the most consistent execution outcome among other SQL proposals, and a method that aims to improve performance by diversifying the SQL proposals during consistency selection with different prompt designs ("MixPrompt") and foundation models ("MixLLMs"). We show that \emph{SQLPrompt} outperforms previous approaches for in-context learning with few labeled data by a large margin, closing the gap with finetuning state-of-the-art with thousands of labeled data.

cs.CL↗

arXiv2023

On Task-personalized Multimodal Few-shot Learning for Visually-rich Document Entity Retrieval

Visually-rich document entity retrieval (VDER), which extracts key information (e.g. date, address) from document images like invoices and receipts, has become an important topic in industrial NLP applications. The emergence of new document types at a constant pace, each with its unique entity types, presents a unique challenge: many documents contain unseen entity types that occur only a couple of times. Addressing this challenge requires models to have the ability of learning entities in a few-shot manner. However, prior works for Few-shot VDER mainly address the problem at the document level with a predefined global entity space, which doesn't account for the entity-level few-shot scenario: target entity types are locally personalized by each task and entity occurrences vary significantly among documents. To address this unexplored scenario, this paper studies a novel entity-level few-shot VDER task. The challenges lie in the uniqueness of the label space for each task and the increased complexity of out-of-distribution (OOD) contents. To tackle this novel task, we present a task-aware meta-learning based framework, with a central focus on achieving effective task personalization that distinguishes between in-task and out-of-task distribution. Specifically, we adopt a hierarchical decoder (HC) and employ contrastive learning (ContrastProtoNet) to achieve this goal. Furthermore, we introduce a new dataset, FewVEX, to boost future research in the field of entity-level few-shot VDER. Experimental results demonstrate our approaches significantly improve the robustness of popular meta-learning baselines.

cs.AI↗

arXiv2023

Large Language Models can Learn Rules

When prompted with a few examples and intermediate steps, large language models (LLMs) have demonstrated impressive performance in various reasoning tasks. However, prompting methods that rely on implicit knowledge in an LLM often generate incorrect answers when the implicit knowledge is wrong or inconsistent with the task. To tackle this problem, we present Hypotheses-to-Theories (HtT), a framework that learns a rule library for reasoning with LLMs. HtT contains two stages, an induction stage and a deduction stage. In the induction stage, an LLM is first asked to generate and verify rules over a set of training examples. Rules that appear and lead to correct answers sufficiently often are collected to form a rule library. In the deduction stage, the LLM is then prompted to employ the learned rule library to perform reasoning to answer test questions. Experiments on relational reasoning, numerical reasoning and concept learning problems show that HtT improves existing prompting methods, with an absolute gain of 10-30% in accuracy. The learned rules are also transferable to different models and to different forms of the same problem.

cs.AI↗

arXiv2023

Video Timeline Modeling For News Story Understanding

In this paper, we present a novel problem, namely video timeline modeling. Our objective is to create a video-associated timeline from a set of videos related to a specific topic, thereby facilitating the content and structure understanding of the story being told. This problem has significant potential in various real-world applications, for instance, news story summarization. To bootstrap research in this area, we curate a realistic benchmark dataset, YouTube-News-Timeline, consisting of over $12$k timelines and $300$k YouTube news videos. Additionally, we propose a set of quantitative metrics to comprehensively evaluate and compare methodologies. With such a testbed, we further develop and benchmark several deep learning approaches to tackling this problem. We anticipate that this exploratory work will pave the way for further research in video timeline modeling. The assets are available via https://github.com/google-research/google-research/tree/master/video_timeline_modeling.

cs.CV↗

arXiv2023

DocumentNet: Bridging the Data Gap in Document Pre-Training

Document understanding tasks, in particular, Visually-rich Document Entity Retrieval (VDER), have gained significant attention in recent years thanks to their broad applications in enterprise AI. However, publicly available data have been scarce for these tasks due to strict privacy constraints and high annotation costs. To make things worse, the non-overlapping entity spaces from different datasets hinder the knowledge transfer between document types. In this paper, we propose a method to collect massive-scale and weakly labeled data from the web to benefit the training of VDER models. The collected dataset, named DocumentNet, does not depend on specific document types or entity sets, making it universally applicable to all VDER tasks. The current DocumentNet consists of 30M documents spanning nearly 400 document types organized in a four-level ontology. Experiments on a set of broadly adopted VDER tasks show significant improvements when DocumentNet is incorporated into the pre-training for both classic and few-shot learning settings. With the recent emergence of large language models (LLMs), DocumentNet provides a large data source to extend their multi-modal capabilities for VDER.

cs.CL↗

arXiv2023

LambdaBeam: Neural Program Search with Higher-Order Functions and Lambdas

Search is an important technique in program synthesis that allows for adaptive strategies such as focusing on particular search directions based on execution results. Several prior works have demonstrated that neural models are effective at guiding program synthesis searches. However, a common drawback of those approaches is the inability to handle iterative loops, higher-order functions, or lambda functions, thus limiting prior neural searches from synthesizing longer and more general programs. We address this gap by designing a search algorithm called LambdaBeam that can construct arbitrary lambda functions that compose operations within a given DSL. We create semantic vector representations of the execution behavior of the lambda functions and train a neural policy network to choose which lambdas to construct during search, and pass them as arguments to higher-order functions to perform looping computations. Our experiments show that LambdaBeam outperforms neural, symbolic, and LLM-based techniques in an integer list manipulation domain.

cs.LG↗

arXiv2023

SQL-PaLM: Improved Large Language Model Adaptation for Text-to-SQL (extended)

Text-to-SQL, the process of translating natural language into Structured Query Language (SQL), represents a transformative application of large language models (LLMs), potentially revolutionizing how humans interact with data. This paper introduces the SQL-PaLM framework, a comprehensive solution for understanding and enhancing Text-to-SQL using LLMs, using in the learning regimes of few-shot prompting and instruction fine-tuning. With few-shot prompting, we explore the effectiveness of consistency decoding with execution-based error filtering. With instruction fine-tuning, we delve deep in understanding the critical paradigms that influence the performance of tuned LLMs. In particular, we investigate how performance can be improved through expanded training data coverage and diversity, synthetic data augmentation, and integrating query-specific database content. We propose a test-time selection method to further refine accuracy by integrating SQL outputs from multiple paradigms with execution feedback as guidance. Additionally, we tackle the practical challenge of navigating intricate databases with a significant number of tables and columns, proposing efficient techniques for accurately selecting relevant database elements to enhance Text-to-SQL performance. Our holistic approach yields substantial advancements in Text-to-SQL, as demonstrated on two key public benchmarks, Spider and BIRD. Through comprehensive ablations and error analyses, we shed light on the strengths and weaknesses of our framework, offering valuable insights into Text-to-SQL's future work.

cs.CL↗