NeurIPS 2024 论文列表

Since language models (LMs) now outperform average humans on many challenging tasks, it is becoming increasingly difficult to develop challenging, high-quality, and realistic evaluations. We address this by examining LM capabilities to generate code for solving real scientific research problems. Incorporating input from scientists and AI researchers in 16 diverse natural science sub-fields, including mathematics, physics, chemistry, biology, and materials science, we create a scientist-curated coding benchmark, SciCode. The problems naturally factorize into multiple subproblems, each involving knowledge recall, reasoning, and code synthesis. In total, SciCode contains 338 subproblems decomposed from 80 challenging main problems, and it offers optional descriptions specifying useful scientific background information and scientist-annotated gold-standard solutions and test cases for evaluation. OpenAI o1-preview, the best-performing model among those tested, can solve only 7.7\% of the problems in the most realistic setting. We believe that SciCode demonstrates both contemporary LMs' progress towards realizing helpful scientific assistants and sheds light on the building and evaluation of scientific AI in the future.

This paper introduces xRAG, an innovative context compression method tailored for retrieval-augmented generation. xRAG reinterprets document embeddings in dense retrieval--traditionally used solely for retrieval--as features from the retrieval modality. By employing a modality fusion methodology, xRAG seamlessly integrates these embeddings into the language model representation space, effectively eliminating the need for their textual counterparts and achieving an extreme compression rate. In xRAG, the only trainable component is the modality bridge, while both the retriever and the language model remain frozen. This design choice allows for the reuse of offline-constructed document embeddings and preserves the plug-and-play nature of retrieval augmentation. Experimental results demonstrate that xRAG achieves an average improvement of over 10% across six knowledge-intensive tasks, adaptable to various language model backbones, ranging from a dense 7B model to an 8x7B Mixture of Experts configuration. xRAG not only significantly outperforms previous context compression methods but also matches the performance of uncompressed models on several datasets, while reducing overall FLOPs by a factor of 3.53. Our work pioneers new directions in retrieval-augmented generation from the perspective of multimodality fusion, and we hope it lays the foundation for future efficient and scalable retrieval-augmented systems.

Retrieval-augmented generation (RAG) has emerged as a promising solution to mitigate the limitations of large language models (LLMs), such as hallucinations and outdated information. However, it remains unclear how LLMs handle knowledge conflicts arising from different augmented retrieved passages, especially when these passages originate from the same source and have equal trustworthiness. In this work, we conduct a comprehensive evaluation of LLM-generated answers to questions that have varying answers based on contradictory passages from Wikipedia, a dataset widely regarded as a high-quality pre-training resource for most LLMs. Specifically, we introduce WikiContradict, a benchmark consisting of 253 high-quality, human-annotated instances designed to assess the performance of LLMs in providing a complete perspective on conflicts from the retrieved documents, rather than choosing one answer over another, when augmented with retrieved passages containing real-world knowledge conflicts. We benchmark a diverse range of both closed and open-source LLMs under different QA scenarios, including RAG with a single passage, and RAG with 2 contradictory passages. Through rigorous human evaluations on a subset of WikiContradict instances involving 5 LLMs and over 3,500 judgements, we shed light on the behaviour and limitations of these models. For instance, when provided with two passages containing contradictory facts, all models struggle to generate answers that accurately reflect the conflicting nature of the context, especially for implicit conflicts requiring reasoning. Since human evaluation is costly, we also introduce an automated model that estimates LLM performance using a strong open-source language model, achieving an F-score of 0.8. Using this automated metric, we evaluate more than 1,500 answers from seven LLMs across all WikiContradict instances.

Fragment-based drug discovery, in which molecular fragments are assembled into new molecules with desirable biochemical properties, has achieved great success. However, many fragment-based molecule generation methods show limited exploration beyond the existing fragments in the database as they only reassemble or slightly modify the given ones. To tackle this problem, we propose a new fragment-based molecule generation framework with retrieval augmentation, namely *Fragment Retrieval-Augmented Generation* (*f*-RAG). *f*-RAG is based on a pre-trained molecular generative model that proposes additional fragments from input fragments to complete and generate a new molecule. Given a fragment vocabulary, *f*-RAG retrieves two types of fragments: (1) *hard fragments*, which serve as building blocks that will be explicitly included in the newly generated molecule, and (2) *soft fragments*, which serve as reference to guide the generation of new fragments through a trainable *fragment injection module*. To extrapolate beyond the existing fragments, *f*-RAG updates the fragment vocabulary with generated fragments via an iterative refinement process which is further enhanced with post-hoc genetic fragment modification. *f*-RAG can achieve an improved exploration-exploitation trade-off by maintaining a pool of fragments and expanding it with novel and high-quality fragments through a strong generative prior.

Recent advancements in language models (LMs) have notably enhanced their ability to reason with tabular data, primarily through program-aided mechanisms that manipulate and analyze tables. However, these methods often require the entire table as input, leading to scalability challenges due to the positional bias or context length constraints. In response to these challenges, we introduce TableRAG, a Retrieval-Augmented Generation (RAG) framework specifically designed for LM-based table understanding. TableRAG leverages query expansion combined with schema and cell retrieval to pinpoint crucial information before providing it to the LMs. This enables more efficient data encoding and precise retrieval, significantly reducing prompt lengths and mitigating information loss. We have developed two new million-token benchmarks from the Arcade and BIRD-SQL datasets to thoroughly evaluate TableRAG's effectiveness at scale. Our results demonstrate that TableRAG's retrieval design achieves the highest retrieval quality, leading to the new state-of-the-art performance on large-scale table understanding.

Beyond scaling base models with more data or parameters, fine-tuned adapters provide an alternative way to generate high fidelity, custom images at reduced costs. As such, adapters have been widely adopted by open-source communities, accumulating a database of over 100K adapters—most of which are highly customized with insufficient descriptions. To generate high quality images, this paper explores the problem of matching the prompt to a Stylus of relevant adapters, built on recent work that highlight the performance gains of composing adapters. We introduce Stylus, which efficiently selects and automatically composes task-specific adapters based on a prompt's keywords. Stylus outlines a three-stage approach that first summarizes adapters with improved descriptions and embeddings, retrieves relevant adapters, and then further assembles adapters based on prompts' keywords by checking how well they fit the prompt. To evaluate Stylus, we developed StylusDocs, a curated dataset featuring 75K adapters with pre-computed adapter embeddings. In our evaluation on popular Stable Diffusion checkpoints, Stylus achieves greater CLIP/FID Pareto efficiency and is twice as preferred, with humans and multimodal models as evaluators, over the base model.

The evaluation of English text embeddings has transitioned from evaluating a handful of datasets to broad coverage across many tasks through benchmarks such as MTEB. However, this is not the case for multilingual text embeddings due to a lack of available benchmarks. To address this problem, we introduce the Scandinavian Embedding Benchmark (SEB). SEB is a comprehensive framework that enables text embedding evaluation for Scandinavian languages across 24 tasks, 10 subtasks, and 4 task categories. Building on SEB, we evaluate more than 26 models, uncovering significant performance disparities between public and commercial solutions not previously captured by MTEB. We open-source SEB and integrate it with MTEB, thus bridging the text embedding evaluation gap for Scandinavian languages.

Worldwide geolocalization aims to locate the precise location at the coordinate level of photos taken anywhere on the Earth. It is very challenging due to 1) the difficulty of capturing subtle location-aware visual semantics, and 2) the heterogeneous geographical distribution of image data. As a result, existing studies have clear limitations when scaled to a worldwide context. They may easily confuse distant images with similar visual contents, or cannot adapt to various locations worldwide with different amounts of relevant data. To resolve these limitations, we propose **G3**, a novel framework based on Retrieval-Augmented Generation (RAG). In particular, G3 consists of three steps, i.e., **G**eo-alignment, **G**eo-diversification, and **G**eo-verification to optimize both retrieval and generation phases of worldwide geolocalization. During Geo-alignment, our solution jointly learns expressive multi-modal representations for images, GPS and textual descriptions, which allows us to capture location-aware semantics for retrieving nearby images for a given query. During Geo-diversification, we leverage a prompt ensembling method that is robust to inconsistent retrieval performance for different image queries. Finally, we combine both retrieved and generated GPS candidates in Geo-verification for location prediction. Experiments on two well-established datasets IM2GPS3k and YFCC4k verify the superiority of G3 compared to other state-of-the-art methods. Our code is available online [https://github.com/Applied-Machine-Learning-Lab/G3](https://github.com/Applied-Machine-Learning-Lab/G3) for reproduction.

This paper introduces a novel approach using Large Language Models (LLMs) integrated into an agent framework for flexible and effective personal mobility generation. LLMs overcome the limitations of previous models by effectively processing semantic data and offering versatility in modeling various tasks. Our approach addresses three research questions: aligning LLMs with real-world urban mobility data, developing reliable activity generation strategies, and exploring LLM applications in urban mobility. The key technical contribution is a novel LLM agent framework that accounts for individual activity patterns and motivations, including a self-consistency approach to align LLMs with real-world activity data and a retrieval-augmented strategy for interpretable activity generation. We evaluate our LLM agent framework and compare it with state-of-the-art personal mobility generation approaches, demonstrating the effectiveness of our approach and its potential applications in urban mobility. Overall, this study marks the pioneering work of designing an LLM agent framework for activity generation based on real-world human activity data, offering a promising tool for urban mobility analysis.