Exploring Training and Inference Scaling Laws in Generative Retrieval

Generative retrieval has emerged as a novel paradigm that leverages large language models (LLMs) to autoregressively generate document identifiers. Although promising, the mechanisms that underpin its performance and scalability remain largely unclear. We conduct a systematic investigation of training and inference scaling laws in generative retrieval, exploring how model size, training data scale, and inference-time compute jointly influence retrieval performance. To address the lack of suitable metrics, we propose a novel evaluation measure inspired by contrastive entropy and generation loss, providing a continuous performance signal that enables robust comparisons across diverse generative retrieval methods. Our experiments show that n-gram-based methods demonstrate strong alignment with both training and inference scaling laws, especially when paired with larger LLMs. Furthermore, increasing inference computation yields substantial performance gains, revealing that generative retrieval can significantly benefit from higher compute budgets at inference. Across these settings, LLaMA models consistently outperform T5 models, suggesting a particular advantage for larger decoder-only models in generative retrieval. Taken together, our findings underscore that model sizes, data availability, and inference computation interact to unlock the full potential of generative retrieval, offering new insights for designing and optimizing future systems.

Analytic DAG Constraints for Differentiable DAG Learning

Recovering the underlying Directed Acyclic Graph (DAG) structures from observational data presents a formidable challenge, partly due to the combinatorial nature of the DAG-constrained optimization problem. Recently, researchers have identified gradient vanishing as one of the primary obstacles in differentiable DAG learning and have proposed several DAG constraints to mitigate this issue. By developing the necessary theory to establish a connection between analytic functions and DAG constraints, we demonstrate that analytic functions from the set $\{f(x) = c_0 + \sum_{i=1}^{\infty}c_ix^i | \forall i > 0, c_i > 0; r = \lim_{i\rightarrow \infty}c_{i}/c_{i+1} > 0\}$ can be employed to formulate effective DAG constraints. Furthermore, we establish that this set of functions is closed under several functional operators, including differentiation, summation, and multiplication. Consequently, these operators can be leveraged to create novel DAG constraints based on existing ones. Using these properties, we design a series of DAG constraints and develop an efficient algorithm to evaluate them. Experiments in various settings demonstrate that our DAG constraints outperform previous state-of-the-art comparators. Our implementation is available at https://github.com/zzhang1987/AnalyticDAGLearning.

Collaborative AI Enhances Image Understanding in Materials Science

The Copilot for Real-world Experimental Scientist (CRESt) system empowers researchers to control autonomous laboratories through conversational AI, providing a seamless interface for managing complex experimental workflows. We have enhanced CRESt by integrating a multi-agent collaboration mechanism that utilizes the complementary strengths of the ChatGPT and Gemini models for precise image analysis in materials science. This innovative approach significantly improves the accuracy of experimental outcomes by fostering structured debates between the AI models, which enhances decision-making processes in materials phase analysis. Additionally, to evaluate the generalizability of this approach, we tested it on a quantitative task of counting particles. Here, the collaboration between the AI models also led to improved results, demonstrating the versatility and robustness of this method. By harnessing this dual-AI framework, this approach stands as a pioneering method for enhancing experimental accuracy and efficiency in materials research, with applications extending beyond CRESt to broader scientific experimentation and analysis.

PyGDA: A Python Library for Graph Domain Adaptation

Graph domain adaptation has emerged as a promising approach to facilitate knowledge transfer across different domains. Recently, numerous models have been proposed to enhance their generalization capabilities in this field. However, there is still no unified library that brings together existing techniques and simplifies their implementation. To fill this gap, we introduce PyGDA, an open-source Python library tailored for graph domain adaptation. As the first comprehensive library in this area, PyGDA covers more than 20 widely used graph domain adaptation methods together with different types of graph datasets. Specifically, PyGDA offers modular components, enabling users to seamlessly build custom models with a variety of commonly used utility functions. To handle large-scale graphs, PyGDA includes support for features such as sampling and mini-batch processing, ensuring efficient computation. In addition, PyGDA also includes comprehensive performance benchmarks and well-documented user-friendly API for both researchers and practitioners. To foster convenient accessibility, PyGDA is released under the MIT license at https://github.com/pygda-team/pygda, and the API documentation is https://pygda.readthedocs.io/en/stable/.

Learning Cascade Ranking as One Network

Cascade Ranking is a prevalent architecture in large-scale top-k selection systems like recommendation and advertising platforms. Traditional training methods focus on single-stage optimization, neglecting interactions between stages. Recent advances such as RankFlow and FS-LTR have introduced interaction-aware training paradigms but still struggle to 1) align training objectives with the goal of the entire cascade ranking (i.e., end-to-end recall) and 2) learn effective collaboration patterns for different stages. To address these challenges, we propose LCRON, which introduces a novel surrogate loss function derived from the lower bound probability that ground truth items are selected by cascade ranking, ensuring alignment with the overall objective of the system. According to the properties of the derived bound, we further design an auxiliary loss for each stage to drive the reduction of this bound, leading to a more robust and effective top-k selection. LCRON enables end-to-end training of the entire cascade ranking system as a unified network. Experimental results demonstrate that LCRON achieves significant improvement over existing methods on public benchmarks and industrial applications, addressing key limitations in cascade ranking training and significantly enhancing system performance.

I Predict Therefore I Am: Is Next Token Prediction Enough to Learn Human-Interpretable Concepts from Data?

The remarkable achievements of large language models (LLMs) have led many to conclude that they exhibit a form of intelligence. This is as opposed to explanations of their capabilities based on their ability to perform relatively simple manipulations of vast volumes of data. To illuminate the distinction between these explanations, we introduce a novel generative model that generates tokens on the basis of human interpretable concepts represented as latent discrete variables. Under mild conditions, even when the mapping from the latent space to the observed space is non-invertible, we establish an identifiability result: the representations learned by LLMs through next-token prediction can be approximately modeled as the logarithm of the posterior probabilities of these latent discrete concepts, up to an invertible linear transformation. This theoretical finding not only provides evidence that LLMs capture underlying generative factors, but also strongly reinforces the linear representation hypothesis, which posits that LLMs learn linear representations of human-interpretable concepts. Empirically, we validate our theoretical results through evaluations on both simulation data and the Pythia, Llama, and DeepSeek model families.

Detecting Knowledge Boundary of Vision Large Language Models by Sampling-Based Inference

Despite the advancements made in Visual Large Language Models (VLLMs), like text Large Language Models (LLMs), they have limitations in addressing questions that require real-time information or are knowledge-intensive. Indiscriminately adopting Retrieval Augmented Generation (RAG) techniques is an effective yet expensive way to enable models to answer queries beyond their knowledge scopes. To mitigate the dependence on retrieval and simultaneously maintain, or even improve, the performance benefits provided by retrieval, we propose a method to detect the knowledge boundary of VLLMs, allowing for more efficient use of techniques like RAG. Specifically, we propose a method with two variants that fine-tunes a VLLM on an automatically constructed dataset for boundary identification. Experimental results on various types of Visual Question Answering datasets show that our method successfully depicts a VLLM's knowledge boundary based on which we are able to reduce indiscriminate retrieval while maintaining or improving the performance. In addition, we show that the knowledge boundary identified by our method for one VLLM can be used as a surrogate boundary for other VLLMs. Code will be released at https://github.com/Chord-Chen-30/VLLM-KnowledgeBoundary

MaZO: Masked Zeroth-Order Optimization for Multi-Task Fine-Tuning of Large Language Models

Large language models have demonstrated exceptional capabilities across diverse tasks, but their fine-tuning demands significant memory, posing challenges for resource-constrained environments. Zeroth-order (ZO) optimization provides a memory-efficient alternative by eliminating the need for backpropagation. However, ZO optimization suffers from high gradient variance, and prior research has largely focused on single-task learning, leaving its application to multi-task learning unexplored. Multi-task learning is crucial for leveraging shared knowledge across tasks to improve generalization, yet it introduces unique challenges under ZO settings, such as amplified gradient variance and collinearity. In this paper, we present MaZO, the first framework specifically designed for multi-task LLM fine-tuning under ZO optimization. MaZO tackles these challenges at the parameter level through two key innovations: a weight importance metric to identify critical parameters and a multi-task weight update mask to selectively update these parameters, reducing the dimensionality of the parameter space and mitigating task conflicts. Experiments demonstrate that MaZO achieves state-of-the-art performance, surpassing even multi-task learning methods designed for first-order optimization.

Aggregate to Adapt: Node-Centric Aggregation for Multi-Source-Free Graph Domain Adaptation

Unsupervised graph domain adaptation (UGDA) focuses on transferring knowledge from labeled source graph to unlabeled target graph under domain discrepancies. Most existing UGDA methods are designed to adapt information from a single source domain, which cannot effectively exploit the complementary knowledge from multiple source domains. Furthermore, their assumptions that the labeled source graphs are accessible throughout the training procedure might not be practical due to privacy, regulation, and storage concerns. In this paper, we investigate multi-source-free unsupervised graph domain adaptation, i.e., adapting knowledge from multiple source domains to an unlabeled target domain without utilizing labeled source graphs but relying solely on source pre-trained models. Unlike previous multi-source domain adaptation approaches that aggregate predictions at model level, we introduce a novel model named GraphATA which conducts adaptation at node granularity. Specifically, we parameterize each node with its own graph convolutional matrix by automatically aggregating weight matrices from multiple source models according to its local context, thus realizing dynamic adaptation over graph structured data. We also demonstrate the capability of GraphATA to generalize to both model-centric and layer-centric methods. Comprehensive experiments on various public datasets show that our GraphATA can consistently surpass recent state-of-the-art baselines with different gains.

Unsupervised Query Routing for Retrieval Augmented Generation

Query routing for retrieval-augmented generation aims to assign an input query to the most suitable search engine. Existing works rely heavily on supervised datasets that require extensive manual annotation, resulting in high costs and limited scalability, as well as poor generalization to out-of-distribution scenarios. To address these challenges, we introduce a novel unsupervised method that constructs the "upper-bound" response to evaluate the quality of retrieval-augmented responses. This evaluation enables the decision of the most suitable search engine for a given query. By eliminating manual annotations, our approach can automatically process large-scale real user queries and create training data. We conduct extensive experiments across five datasets, demonstrating that our method significantly enhances scalability and generalization capabilities.