NeurIPS 2024 Papers

Given a relational database (RDB), how can we predict missing column values in some target table of interest? Although RDBs store vast amounts of rich, informative data spread across interconnected tables, the progress of predictive machine learning models as applied to such tasks arguably falls well behind advances in other domains such as computer vision or natural language processing. This deficit stems, at least in part, from the lack of established/public RDB benchmarks as needed for training and evaluation purposes. As a result, related model development thus far often defaults to tabular approaches trained on ubiquitous single-table benchmarks, or on the relational side, graph-based alternatives such as GNNs applied to a completely different set of graph datasets devoid of tabular characteristics. To more precisely target RDBs lying at the nexus of these two complementary regimes, we explore a broad class of baseline models predicated on: (i) converting multi-table datasets into graphs using various strategies equipped with efficient subsampling, while preserving tabular characteristics; and (ii) trainable models with well-matched inductive biases that output predictions based on these input subgraphs. Then, to address the dearth of suitable public benchmarks and reduce siloed comparisons, we assemble a diverse collection of (i) large-scale RDB datasets and (ii) coincident predictive tasks. From a delivery standpoint, we operationalize the above four dimensions (4D) of exploration within a unified, scalable open-source toolbox called 4DBInfer; please see https://github.com/awslabs/multi-table-benchmark .

Top-2 methods have become popular in solving the best arm identification (BAI) problem. The best arm, or the arm with the largest mean amongst finitely many, is identified through an algorithm that at any sequential step independently pulls the empirical best arm, with a fixed probability $\beta$, and pulls the best challenger arm otherwise. The probability of incorrect selection is guaranteed to lie below a specified $\delta>0$. Information theoretic lower bounds on sample complexity are well known for BAI problem and are matched asymptotically as $\delta\to 0$ by computationally demanding plug-in methods. The above top 2 algorithm for any $\beta\in(0, 1)$ has sample complexity within a constant of the lower bound. However, determining the optimal β that matches the lower bound has proven difficult. In this paper, we address this and propose an optimal top-2 type algorithm. We consider a function of allocations anchored at a threshold. If it exceeds the threshold then the algorithm samples the empirical best arm. Otherwise, it samples the challenger arm. We show that the proposed algorithm is optimal as $\delta\to 0$. Our analysis relies on identifying a limiting fluid dynamics of allocations that satisfy a series of ordinary differential equations pasted together and that describe the asymptotic path followed by our algorithm. We rely on the implicit function theorem to show existence and uniqueness of these fluid ode’s and to show that the proposed algorithm remains close to the ode solution.

We demonstrate a compactness result holding broadly across supervised learning with a general class of loss functions: Any hypothesis class $\mathcal{H}$ is learnable with transductive sample complexity $m$ precisely when all of its finite projections are learnable with sample complexity $m$. We prove that this exact form of compactness holds for realizable and agnostic learning with respect to all proper metric loss functions (e.g., any norm on $\mathbb{R}^d$) and any continuous loss on a compact space (e.g., cross-entropy, squared loss). For realizable learning with improper metric losses, we show that exact compactness of sample complexity can fail, and provide matching upper and lower bounds of a factor of 2 on the extent to which such sample complexities can differ. We conjecture that larger gaps are possible for the agnostic case. Furthermore, invoking the equivalence between sample complexities in the PAC and transductive models (up to lower order factors, in the realizable case) permits us to directly port our results to the PAC model, revealing an almost-exact form of compactness holding broadly in PAC learning.

The remarkable capabilities of modern large language models are rooted in their vast repositories of knowledge encoded within their parameters, enabling them to perceive the world and engage in reasoning. The inner workings of how these models store knowledge have long been a subject of intense interest and investigation among researchers. To date, most studies have concentrated on isolated components within these models, such as the Multilayer Perceptrons and attention head. In this paper, we delve into the computation graph of the language model to uncover the knowledge circuits that are instrumental in articulating specific knowledge. The experiments, conducted with GPT2 and TinyLLAMA, has allowed us to observe how certain information heads, relation heads, and Multilayer Perceptrons collaboratively encode knowledge within the model. Moreover, we evaluate the impact of current knowledge editing techniques on these knowledge circuits, providing deeper insights into the functioning and constraints of these editing methodologies. Finally, we utilize knowledge circuits to analyze and interpret language model behaviors such as hallucinations and in-context learning. We believe the knowledge circuit holds potential for advancing our understanding of Transformers and guiding the improved design of knowledge editing.

Current state-of-the-art spatial reasoning-enhanced VLMs are trained to excel at spatial visual question answering (VQA). However, we believe that higher-level 3D-aware tasks, such as articulating dynamic scene changes and motion planning, require a fundamental and explicit 3D understanding beyond current spatial VQA datasets. In this work, we present SpatialPIN, a framework designed to enhance the spatial reasoning capabilities of VLMs through prompting and interacting with priors from multiple 3D foundation models in a zero-shot, training-free manner. Extensive experiments demonstrate that our spatial reasoning-imbued VLM performs well on various forms of spatial VQA and can extend to help in various downstream robotics tasks such as pick and stack and trajectory planning.

We explore the training dynamics of neural networks in a structured non-IID setting where documents are presented cyclically in a fixed, repeated sequence. Typically, networks suffer from catastrophic interference when training on a sequence of documents; however, we discover a curious and remarkable property of LLMs finetuned sequentially in this setting: they exhibit *anticipatory* behavior, recovering from the forgetting on documents *before* seeing them again. The behavior emerges and becomes more robust as the architecture scales up its number of parameters. Through comprehensive experiments and visualizations, we uncover new insights into training over-parameterized networks in structured environments.

We present a novel algorithm that efficiently computes near-optimal deterministic policies for constrained reinforcement learning (CRL) problems. Our approach combines three key ideas: (1) value-demand augmentation, (2) action-space approximate dynamic programming, and (3) time-space rounding. Our algorithm constitutes a fully polynomial-time approximation scheme (FPTAS) for any time-space recursive (TSR) cost criteria. A TSR criteria requires the cost of a policy to be computable recursively over both time and (state) space, which includes classical expectation, almost sure, and anytime constraints. Our work answers three open questions spanning two long-standing lines of research: polynomial-time approximability is possible for 1) anytime-constrained policies, 2) almost-sure-constrained policies, and 3) deterministic expectation-constrained policies.

The number of large language models (LLMs) with varying parameter scales and vocabularies is increasing. While they deliver powerful performance, they also face a set of common optimization needs to meet specific requirements or standards, such as instruction following or avoiding the output of sensitive information from the real world. However, how to reuse the fine-tuning outcomes of one model to other models to reduce training costs remains a challenge. To bridge this gap, we introduce Cross-model Control (CMC), a method that improves multiple LLMs in one-time training with a portable tiny language model. Specifically, we have observed that the logit shift before and after fine-tuning is remarkably similar across different models. Based on this insight, we incorporate a tiny language model with a minimal number of parameters. By training alongside a frozen template LLM, the tiny model gains the capability to alter the logits output by the LLMs. To make this tiny language model applicable to models with different vocabularies, we propose a novel token mapping strategy named PM-MinED. We have conducted extensive experiments on instruction tuning and unlearning tasks, demonstrating the effectiveness of CMC. Our code is available at https://github.com/wujwyi/CMC

In the visual spatial understanding (VSU) field, spatial image-to-text (SI2T) and spatial text-to-image (ST2I) are two fundamental tasks that appear in dual form. Existing methods for standalone SI2T or ST2I perform imperfectly in spatial understanding, due to the difficulty of 3D-wise spatial feature modeling. In this work, we consider modeling the SI2T and ST2I together under a dual learning framework. During the dual framework, we then propose to represent the 3D spatial scene features with a novel 3D scene graph (3DSG) representation that can be shared and beneficial to both tasks. Further, inspired by the intuition that the easier 3D$\to$image and 3D$\to$text processes also exist symmetrically in the ST2I and SI2T, respectively, we propose the Spatial Dual Discrete Diffusion (SD$^3$) framework, which utilizes the intermediate features of the 3D$\to$X processes to guide the hard X$\to$3D processes, such that the overall ST2I and SI2T will benefit each other. On the visual spatial understanding dataset VSD, our system outperforms the mainstream T2I and I2T methods significantly. Further in-depth analysis reveals how our dual learning strategy advances.

Transformers have shown impressive capabilities across various tasks, but their performance on compositional problems remains a topic of debate. In this work, we investigate the mechanisms of how transformers behave on unseen compositional tasks. We discover that the parameter initialization scale plays a critical role in determining whether the model learns inferential (reasoning-based) solutions, which capture the underlying compositional primitives, or symmetric (memory-based) solutions, which simply memorize mappings without understanding the compositional structure. By analyzing the information flow and vector representations within the model, we reveal the distinct mechanisms underlying these solution types. We further find that inferential (reasoning-based) solutions exhibit low complexity bias, which we hypothesize is a key factor enabling them to learn individual mappings for single anchors. We validate our conclusions on various real-world datasets. Our findings provide valuable insights into the role of initialization scale in tuning the reasoning and memorizing ability and we propose the initialization rate $\gamma$ to be a convenient tunable hyper-parameter in common deep learning frameworks, where $1/d_{\mathrm{in}}^\gamma$ is the standard deviation of parameters of the layer with $d_{\mathrm{in}}$ input neurons.

Bounding and predicting the generalization gap of overparameterized neural networks remains a central open problem in theoretical machine learning. There is a recent and growing body of literature that proposes the framework of fractals to model optimization trajectories of neural networks, motivating generalization bounds and measures based on the fractal dimension of the trajectory. Notably, the persistent homology dimension has been proposed to correlate with the generalization gap. This paper performs an empirical evaluation of these persistent homology-based generalization measures, with an in-depth statistical analysis. Our study reveals confounding effects in the observed correlation between generalization and topological measures due to the variation of hyperparameters. We also observe that fractal dimension fails to predict generalization of models trained from poor initializations. We lastly reveal the intriguing manifestation of model-wise double descent in these topological generalization measures. Our work forms a basis for a deeper investigation of the causal relationships between fractal geometry, topological data analysis, and neural network optimization.

Machine unlearning (MU) empowers individuals with the `right to be forgotten' by removing their private or sensitive information encoded in machine learning models. However, it remains uncertain whether MU can be effectively applied to Multimodal Large Language Models (MLLMs), particularly in scenarios of forgetting the leaked visual data of concepts. To overcome the challenge, we propose an efficient method, Single Image Unlearning (SIU), to unlearn the visual recognition of a concept by fine-tuning a single associated image for few steps. SIU consists of two key aspects: (i) Constructing Multifaceted fine-tuning data. We introduce four targets, based on which we construct fine-tuning data for the concepts to be forgotten; (ii) Joint training loss. To synchronously forget the visual recognition of concepts and preserve the utility of MLLMs, we fine-tune MLLMs through a novel Dual Masked KL-divergence Loss combined with Cross Entropy loss. Alongside our method, we establish MMUBench, a new benchmark for MU in MLLMs and introduce a collection of metrics for its evaluation. Experimental results on MMUBench show that SIU completely surpasses the performance of existing methods. Furthermore, we surprisingly find that SIU can avoid invasive membership inference attacks and jailbreak attacks. To the best of our knowledge, we are the first to explore MU in MLLMs. We will release the code and benchmark in the near future.

This paper analyzes the impact of causal manner in the text encoder of text-to-image (T2I) diffusion models, which can lead to information bias and loss. Previous works have focused on addressing the issues through the denoising process. However, there is no research discussing how text embedding contributes to T2I models, especially when generating more than one object. In this paper, we share a comprehensive analysis of text embedding: i) how text embedding contributes to the generated images and ii) why information gets lost and biases towards the first-mentioned object. Accordingly, we propose a simple but effective text embedding balance optimization method, which is training-free, with an improvement of 125.42\% on information balance in stable diffusion. Furthermore, we propose a new automatic evaluation metric that quantifies information loss more accurately than existing methods, achieving 81\% concordance with human assessments. This metric effectively measures the presence and accuracy of objects, addressing the limitations of current distribution scores like CLIP's text-image similarities.

Recent years have seen a significant progress in the general-purpose problem solving abilities of large vision and language models (LVLMs), such as ChatGPT, Gemini, etc.; some of these breakthroughs even seem to enable AI models to outperform human abilities in varied tasks that demand higher-order cognitive skills. Are the current large AI models indeed capable of generalized problem solving as humans do? A systematic analysis of AI capabilities for joint vision and text reasoning, however, is missing in the current scientific literature. In this paper, we make an effort towards filling this gap, by evaluating state-of-the-art LVLMs on their mathematical and algorithmic reasoning abilities using visuo-linguistic problems from children's Olympiads. Specifically, we consider problems from the Mathematical Kangaroo (MK) Olympiad, which is a popular international competition targeted at children from grades 1-12, that tests children's deeper mathematical abilities using puzzles that are appropriately gauged to their age and skills. Using the puzzles from MK, we created a dataset, dubbed SMART-840, consisting of 840 problems from years 2020-2024. With our dataset, we analyze LVLMs power on mathematical reasoning; their responses on our puzzles offer a direct way to compare against that of children. Our results show that modern LVLMs do demonstrate increasingly powerful reasoning skills in solving problems for higher grades, but lack the foundations to correctly answer problems designed for younger children. Further analysis shows that there is no significant correlation between the reasoning capabilities of AI models and that of young children, and their capabilities appear to be based on a different type of reasoning than the cumulative knowledge that underlies children's mathematical skills.

Currently, vision encoder models like Vision Transformers (ViTs) typically excel at image recognition tasks but cannot simultaneously support text recognition like human visual recognition. To address this limitation, we propose UNIT, a novel training framework aimed at UNifying Image and Text recognition within a single model. Starting with a vision encoder pre-trained with image recognition tasks, UNIT introduces a lightweight language decoder for predicting text outputs and a lightweight vision decoder to prevent catastrophic forgetting of the original image encoding capabilities. The training process comprises two stages: intra-scale pretraining and inter-scale finetuning. During intra-scale pretraining, UNIT learns unified representations from multi-scale inputs, where images and documents are at their commonly used resolution, to enable fundamental recognition capability. In the inter-scale finetuning stage, the model introduces scale-exchanged data, featuring images and documents at resolutions different from the most commonly used ones, to enhance its scale robustness. Notably, UNIT retains the original vision encoder architecture, making it cost-free in terms of inference and deployment. Experiments across multiple benchmarks confirm that our method significantly outperforms existing methods on document-related tasks (e.g., OCR and DocQA) while maintaining the performances on natural images, demonstrating its ability to substantially enhance text recognition without compromising its core image recognition capabilities.

Diffusion-based methods have achieved remarkable achievements in 2D image or 3D object generation, however, the generation of 3D scenes and even $360^{\circ}$ images remains constrained, due to the limited number of scene datasets, the complexity of 3D scenes themselves, and the difficulty of generating consistent multi-view images. To address these issues, we first establish a large-scale panoramic video-text dataset containing millions of consecutive panoramic keyframes with corresponding panoramic depths, camera poses, and text descriptions. Then, we propose a novel text-driven panoramic generation framework, termed DiffPano, to achieve scalable, consistent, and diverse panoramic scene generation. Specifically, benefiting from the powerful generative capabilities of stable diffusion, we fine-tune a single-view text-to-panorama diffusion model with LoRA on the established panoramic video-text dataset. We further design a spherical epipolar-aware multi-view diffusion model to ensure the multi-view consistency of the generated panoramic images. Extensive experiments demonstrate that DiffPano can generate scalable, consistent, and diverse panoramic images with given unseen text descriptions and camera poses.

What computational structure are we building into large language models when we train them on next-token prediction? Here, we present evidence that this structure is given by the meta-dynamics of belief updating over hidden states of the data- generating process. Leveraging the theory of optimal prediction, we anticipate and then find that belief states are linearly represented in the residual stream of transformers, even in cases where the predicted belief state geometry has highly nontrivial fractal structure. We investigate cases where the belief state geometry is represented in the final residual stream or distributed across the residual streams of multiple layers, providing a framework to explain these observations. Furthermore we demonstrate that the inferred belief states contain information about the entire future, beyond the local next-token prediction that the transformers are explicitly trained on. Our work provides a general framework connecting the structure of training data to the geometric structure of activations inside transformers.

While many contemporary large language models (LLMs) can process lengthy input, they still struggle to fully utilize information within the long context, known as the *lost-in-the-middle* challenge. We hypothesize that it stems from insufficient explicit supervision during the long-context training, which fails to emphasize that any position in a long context can hold crucial information. Based on this intuition, our study presents **information-intensive (IN2) training**, a purely data-driven solution to overcome lost-in-the-middle. Specifically, IN2 training leverages a synthesized long-context question-answer dataset, where the answer requires (1) **fine-grained information awareness** on a short segment (~128 tokens) within a synthesized long context (4K-32K tokens), and (2) the **integration and reasoning** of information from two or more short segments. Through applying this information-intensive training on Mistral-7B, we present **FILM-7B** (FIll-in-the-Middle). To thoroughly assess the ability of FILM-7B for utilizing long contexts, we design three probing tasks that encompass various context styles (document, code, and structured-data context) and information retrieval patterns (forward, backward, and bi-directional retrieval). The probing results demonstrate that FILM-7B can robustly retrieve information from different positions in its 32K context window. Beyond these probing tasks, FILM-7B significantly improves the performance on real-world long-context tasks (e.g., 23.5->26.9 F1 score on NarrativeQA), while maintaining a comparable performance on short-context tasks (e.g., 59.3->59.2 accuracy on MMLU).

Following step-by-step procedures is an essential component of various activities carried out by individuals in their daily lives. These procedures serve as a guiding framework that helps to achieve goals efficiently, whether it is assembling furniture or preparing a recipe. However, the complexity and duration of procedural activities inherently increase the likelihood of making errors. Understanding such procedural activities from a sequence of frames is a challenging task that demands an accurate interpretation of visual information and the ability to reason about the structure of the activity. To this end, we collect a new egocentric 4D dataset, CaptainCook4D, comprising 384 recordings (94.5 hours) of people performing recipes in real kitchen environments. This dataset consists of two distinct types of activity: one in which participants adhere to the provided recipe instructions and another in which they deviate and induce errors. We provide 5.3K step annotations and 10K fine-grained action annotations and benchmark the dataset for the following tasks: error recognition, multistep localization and procedure learning.