NeurIPS 2024 Papers

Large Language Models (LLMs) are consistently improving at increasingly realistic software engineering (SE) tasks. In real-world software stacks, significant SE effort is spent developing foundational system software like the Linux kernel. Unlike application-level software, a systems codebase like Linux is multilingual (low-level C/Assembly/Bash/Rust); gigantic (>20 million lines); critical (impacting billions of devices worldwide), and highly concurrent (involving complex multi-threading). To evaluate if machine learning (ML) models are useful while developing such large-scale systems-level software, we introduce kGym (a platform) and kBench (a dataset). The kGym platform provides a SE environment for large-scale experiments on the Linux kernel, including compiling and running kernels in parallel across several virtual machines, detecting operations and crashes, inspecting logs, and querying and patching the code base. We use kGym to facilitate evaluation on kBench, a crash resolution benchmark drawn from real-world Linux kernel bugs. An example bug in kBench contains crashing stack traces, a bug-reproducer file, a developer-written fix, and other associated data. To understand current performance, we conduct baseline experiments by prompting LLMs to resolve Linux kernel crashes. Our initial evaluations reveal that the best performing LLM achieves 0.72\% and 5.38\% in the unassisted and assisted (i.e., buggy files disclosed to the model) settings, respectively. These results highlight the need for further research to enhance model performance in SE tasks. Improving performance on kBench requires models to master new learning skills, including understanding the cause of crashes and repairing faults, writing memory-safe and hardware-aware code, and understanding concurrency. As a result, this work opens up multiple avenues of research at the intersection of machine learning and systems software.

This work investigates the offline formulation of the contextual bandit problem, where the goal is to leverage past interactions collected under a behavior policy to evaluate, select, and learn new, potentially better-performing, policies. Motivated by critical applications, we move beyond point estimators. Instead, we adopt the principle of _pessimism_ where we construct upper bounds that assess a policy's worst-case performance, enabling us to confidently select and learn improved policies. Precisely, we introduce novel, fully empirical concentration bounds for a broad class of importance weighting risk estimators. These bounds are general enough to cover most existing estimators and pave the way for the development of new ones. In particular, our pursuit of the tightest bound within this class motivates a novel estimator (LS), that _logarithmically smoothes_ large importance weights. The bound for LS is provably tighter than its competitors, and naturally results in improved policy selection and learning strategies. Extensive policy evaluation, selection, and learning experiments highlight the versatility and favorable performance of LS.

Investigating the marginal causal effect of an intervention on an outcome from complex data remains challenging due to the inflexibility of employed models and the lack of complexity in causal benchmark datasets, which often fail to reproduce intricate real-world data patterns. In this paper we introduce Frugal Flows, a likelihood-based machine learning model that uses normalising flows to flexibly learn the data-generating process, while also directly targeting the marginal causal quantities inferred from observational data. We provide a novel algorithm for fitting a model to observational data with a parametrically specified causal distribution, and propose that these models are exceptionally well suited for synthetic data generation to validate causal methods. Unlike existing data generation methods, Frugal Flows generate synthetic data that closely resembles the empirical dataset, while also automatically and exactly satisfying a user-defined average treatment effect. To our knowledge, Frugal Flows are the first generative model to both learn flexible data representations and also \textit{exactly} parameterise quantities such as the average treatment effect and the degree of unobserved confounding. We demonstrate the above with experiments on both simulated and real-world datasets.

Understanding human emotions is fundamental to enhancing human-computer interaction, especially for embodied agents that mimic human behavior. Traditional emotion analysis often takes a third-person perspective, limiting the ability of agents to interact naturally and empathetically. To address this gap, this paper presents $E^3$ for Exploring Embodied Emotion, the first massive first-person view video dataset. $E^3$ contains more than $50$ hours of video, capturing $8$ different emotion types in diverse scenarios and languages. The dataset features videos recorded by individuals in their daily lives, capturing a wide range of real-world emotions conveyed through visual, acoustic, and textual modalities. By leveraging this dataset, we define $4$ core benchmark tasks - emotion recognition, emotion classification, emotion localization, and emotion reasoning - supported by more than $80$k manually crafted annotations, providing a comprehensive resource for training and evaluating emotion analysis models. We further present Emotion-LlaMa, which complements visual modality with acoustic modality to enhance the understanding of emotion in first-person videos. The results of comparison experiments with a large number of baselines demonstrate the superiority of Emotion-LlaMa and set a new benchmark for embodied emotion analysis. We expect that $E^3$ can promote advances in multimodal understanding, robotics, and augmented reality, and provide a solid foundation for the development of more empathetic and context-aware embodied agents.

Predicting and constructing road geometric information (e.g., lane lines, road markers) is a crucial task for safe autonomous driving, while such static map elements can be repeatedly occluded by various dynamic objects on the road. Recent studies have shown significantly improved vectorized high-definition (HD) map construction performance, but there has been insufficient investigation of temporal information across adjacent input frames (i.e., clips), which may lead to inconsistent and suboptimal prediction results. To tackle this, we introduce a novel paradigm of clip-level vectorized HD map construction, MapUnveiler, which explicitly unveils the occluded map elements within a clip input by relating dense image representations with efficient clip tokens. Additionally, MapUnveiler associates inter-clip information through clip token propagation, effectively utilizing long- term temporal map information. MapUnveiler runs efficiently with the proposed clip-level pipeline by avoiding redundant computation with temporal stride while building a global map relationship. Our extensive experiments demonstrate that MapUnveiler achieves state-of-the-art performance on both the nuScenes and Argoverse2 benchmark datasets. We also showcase that MapUnveiler significantly outperforms state-of-the-art approaches in a challenging setting, achieving +10.7% mAP improvement in heavily occluded driving road scenes. The project page can be found at https://mapunveiler.github.io.

With the emergence of LLMs and their integration with other data modalities, multi-modal 3D perception attracts more attention due to its connectivity to the physical world and makes rapid progress. However, limited by existing datasets, previous works mainly focus on understanding object properties or inter-object spatial relationships in a 3D scene. To tackle this problem, this paper builds the first largest ever multi-modal 3D scene dataset and benchmark with hierarchical grounded language annotations, MMScan. It is constructed based on a top-down logic, from region to object level, from a single target to inter-target relationships, covering holistic aspects of spatial and attribute understanding. The overall pipeline incorporates powerful VLMs via carefully designed prompts to initialize the annotations efficiently and further involve humans' correction in the loop to ensure the annotations are natural, correct, and comprehensive. Built upon existing 3D scanning data, the resulting multi-modal 3D dataset encompasses 1.4M meta-annotated captions on 109k objects and 7.7k regions as well as over 3.04M diverse samples for 3D visual grounding and question-answering benchmarks. We evaluate representative baselines on our benchmarks, analyze their capabilities in different aspects, and showcase the key problems to be addressed in the future. Furthermore, we use this high-quality dataset to train state-of-the-art 3D visual grounding and LLMs and obtain remarkable performance improvement both on existing benchmarks and in-the-wild evaluation.

Evaluations of language models (LMs) commonly report perplexity on monolithic data held out from training. Implicitly or explicitly, this data is composed of domains—varying distributions of language. We introduce Perplexity Analysis for Language Model Assessment (Paloma), a benchmark to measure LM fit to 546 English and code domains, instead of assuming perplexity on one distribution extrapolates to others. We include two new datasets of the top 100 subreddits (e.g., r/depression on Reddit) and programming languages (e.g., Java on GitHub), both sources common in contemporary LMs. With our benchmark, we release 6 baseline 1B LMs carefully controlled to provide fair comparisons about which pretraining corpus is best and code for others to apply those controls to their own experiments. Our case studies demonstrate how the fine-grained results from Paloma surface findings such as that models pretrained without data beyond Common Crawl exhibit anomalous gaps in LM fit to many domains or that loss is dominated by the most frequently occurring strings in the vocabulary.

Dataset Distillation (DD) is designed to generate condensed representations of extensive image datasets, enhancing training efficiency. Despite recent advances, there remains considerable potential for improvement, particularly in addressing the notable redundancy within the color space of distilled images. In this paper, we propose a two-fold optimization strategy to minimize color redundancy at the individual image and overall dataset levels, respectively. At the image level, we employ a palette network, a specialized neural network, to dynamically allocate colors from a reduced color space to each pixel. The palette network identifies essential areas in synthetic images for model training, and consequently assigns more unique colors to them. At the dataset level, we develop a color-guided initialization strategy to minimize redundancy among images. Representative images with the least replicated color patterns are selected based on the information gain. A comprehensive performance study involving various datasets and evaluation scenarios is conducted, demonstrating the superior performance of our proposed color-aware DD compared to existing DD methods.

A major obstacle to the advancements of machine learning models in marine science, particularly in sonar imagery analysis, is the scarcity of AI-ready datasets. While there have been efforts to make AI-ready sonar image dataset publicly available, they suffer from limitations in terms of environment setting and scale. To bridge this gap, we introduce $\texttt{SeafloorAI}$, the first extensive AI-ready datasets for seafloor mapping across 5 geological layers that is curated in collaboration with marine scientists. We further extend the dataset to $\texttt{SeafloorGenAI}$ by incorporating the language component in order to facilitate the development of both $\textit{vision}$- and $\textit{language}$-capable machine learning models for sonar imagery. The dataset consists of 62 geo-distributed data surveys spanning 17,300 square kilometers, with 696K sonar images, 827K annotated segmentation masks, 696K detailed language descriptions and approximately 7M question-answer pairs. By making our data processing source code publicly available, we aim to engage the marine science community to enrich the data pool and inspire the machine learning community to develop more robust models. This collaborative approach will enhance the capabilities and applications of our datasets within both fields.

Autonomous agents that control user interfaces to accomplish human tasks are emerging. Leveraging LLMs to power such agents has been of special interest, but unless fine-tuned on human-collected task demonstrations, performance is still relatively low. In this work we study whether fine-tuning alone is a viable approach for building real-world UI control agents. To this end we collect and release a new dataset, AndroidControl, consisting of 15,283 demonstrations of everyday tasks with Android apps. Compared to existing datasets, each AndroidControl task instance includes both high and low-level human-generated instructions, allowing us to explore the level of task complexity an agent can handle. Moreover, AndroidControl is the most diverse computer control dataset to date, including 14,548 unique tasks over 833 Android apps, thus allowing us to conduct in-depth analysis of the model performance in and out of the domain of the training data. Using the dataset, we find that when tested in domain fine-tuned models outperform zero and few-shot baselines and scale in such a way that robust performance might feasibly be obtained simply by collecting more data. Out of domain, performance scales significantly more slowly and suggests that in particular for high-level tasks, fine-tuning on more data alone may be insufficient for achieving robust out-of-domain performance.

We revisit data selection in a modern context of finetuning from a fundamental perspective. Extending the classical wisdom of variance minimization in low dimensions to high-dimensional finetuning, our generalization analysis unveils the importance of additionally reducing bias induced by low-rank approximation. Inspired by the variance-bias tradeoff in high dimensions from the theory, we introduce Sketchy Moment Matching (SkMM), a scalable data selection scheme with two stages. (i) First, the bias is controlled using gradient sketching that explores the finetuning parameter space for an informative low-dimensional subspace $\mathcal{S}$; (ii) then the variance is reduced over $\mathcal{S}$ via moment matching between the original and selected datasets. Theoretically, we show that gradient sketching is fast and provably accurate: selecting $n$ samples by reducing variance over $\mathcal{S}$ preserves the fast-rate generalization $O(\dim(\mathcal{S})/n)$, independent of the parameter dimension. Empirically, we concretize the variance-bias balance via synthetic experiments and demonstrate the effectiveness of SkMM for finetuning in real vision tasks.

In the age of large-scale language models, benchmarks like the Massive Multitask Language Understanding (MMLU) have been pivotal in pushing the boundaries of what AI can achieve in language comprehension and reasoning across diverse domains. However, as models continue to improve, their performance on these benchmarks has begun to plateau, making it increasingly difficult to discern differences in model capabilities. This paper introduces MMLU-Pro, an enhanced dataset designed to extend the mostly knowledge-driven MMLU benchmark by integrating more challenging, reasoning-focused questions and expanding the choice set from four to ten options. Additionally, MMLU-Pro eliminates part of the trivial and noisy questions in MMLU. Our experimental results show that MMLU-Pro not only raises the challenge, causing a significant drop in accuracy by 16\% to 33\% compared to MMLU, but also demonstrates greater stability under varying prompts. With 24 different prompt styles tested, the sensitivity of model scores to prompt variations decreased from 4-5\% in MMLU to just 2\% in MMLU-Pro. Additionally, we found that models utilizing Chain of Thought (CoT) reasoning achieved better performance on MMLU-Pro compared to direct answering, which is in stark contrast to the findings on the original MMLU, indicating that MMLU-Pro includes more complex reasoning questions. Our assessments confirm that MMLU-Pro is more discriminative benchmark to better track progress in the field.

This paper addresses the problem of on-road object importance estimation, which utilizes video sequences captured from the driver's perspective as the input. Although this problem is significant for safer and smarter driving systems, the exploration of this problem remains limited. On one hand, publicly-available large-scale datasets are scarce in the community. To address this dilemma, this paper contributes a new large-scale dataset named Traffic Object Importance (TOI). On the other hand, existing methods often only consider either bottom-up feature or single-fold guidance, leading to limitations in handling highly dynamic and diverse traffic scenarios. Different from existing methods, this paper proposes a model that integrates multi-fold top-down guidance with the bottom-up feature. Specifically, three kinds of top-down guidance factors (i.e., driver intention, semantic context, and traffic rule) are integrated into our model. These factors are important for object importance estimation, but none of the existing methods simultaneously consider them. To our knowledge, this paper proposes the first on-road object importance estimation model that fuses multi-fold top-down guidance factors with bottom-up feature. Extensive experiments demonstrate that our model outperforms state-of-the-art methods by large margins, achieving 23.1% Average Precision (AP) improvement compared with the recently proposed model (i.e., Goal).

Data curation is an essential component of large-scale pretraining. In this work, we demonstrate that jointly prioritizing batches of data is more effective for learning than selecting examples independently. Multimodal contrastive objectives expose the dependencies between data and thus naturally yield criteria for measuring the joint learnability of a batch. We derive a simple and tractable algorithm for selecting such batches, which significantly accelerate training beyond individually-prioritized data points. As performance improves by selecting from large super-batches, we also leverage recent advances in model approximation to reduce the computational overhead of scoring. As a result, our approach—multimodal contrastive learning with joint example selection (JEST)—surpasses state-of-the-art pretraining methods with up to 13× fewer iterations and 10× less computation. Essential to the performance of JEST is the ability to steer the data selection process towards the distribution of smaller, well-curated datasets via pretrained reference models, exposing data curation as a new dimension for neural scaling laws.

The Spiking Neural Network (SNN) is a biologically inspired neural network infrastructure that has recently garnered significant attention. It utilizes binary spike activations to transmit information, thereby replacing multiplications with additions and resulting in high energy efficiency. However, training an SNN directly poses a challenge due to the undefined gradient of the firing spike process. Although prior works have employed various surrogate gradient training methods that use an alternative function to replace the firing process during back-propagation, these approaches ignore an intrinsic problem: gradient vanishing. To address this issue, we propose a shortcut back-propagation method in the paper, which advocates for transmitting the gradient directly from the loss to the shallow layers. This enables us to present the gradient to the shallow layers directly, thereby significantly mitigating the gradient vanishing problem. Additionally, this method does not introduce any burden during the inference phase. To strike a balance between final accuracy and ease of training, we also propose an evolutionary training framework and implement it by inducing a balance coefficient that dynamically changes with the training epoch, which further improves the network's performance. Extensive experiments conducted over static and dynamic datasets using several popular network structures reveal that our method consistently outperforms state-of-the-art methods.

Spectroscopic techniques are essential tools for determining the structure of molecules. Different spectroscopic techniques, such as Nuclear magnetic resonance (NMR), Infrared spectroscopy, and Mass Spectrometry, provide insight into the molecular structure, including the presence or absence of functional groups. Chemists leverage the complementary nature of the different methods to their advantage. However, the lack of a comprehensive multimodal dataset, containing spectra from a variety of spectroscopic techniques, has limited machine-learning approaches mostly to single-modality tasks for predicting molecular structures from spectra. Here we introduce a dataset comprising simulated $^1$H-NMR, $^{13}$C-NMR, HSQC-NMR, Infrared, and Mass spectra (positive and negative ion modes) for 790k molecules extracted from chemical reactions in patent data. This dataset enables the development of foundation models for integrating information from multiple spectroscopic modalities, emulating the approach employed by human experts. Additionally, we provide benchmarks for evaluating single-modality tasks such as structure elucidation, predicting the spectra for a target molecule, and functional group predictions. This dataset has the potential automate structure elucidation, streamlining the molecular discovery pipeline from synthesis to structure determination. The dataset and code for the benchmarks can be found at https://rxn4chemistry.github.io/multimodal-spectroscopic-dataset (Available upon submission of the supporting information).

Knowledge editing technology has received widespread attention for low-cost updates of incorrect or outdated knowledge in large-scale language models. However, recent research has found that edited models often exhibit varying degrees of performance degradation. The reasons behind this phenomenon and potential solutions have not yet been provided. In order to investigate the reasons for the performance decline of the edited model and optimize the editing method, this work explores the underlying reasons from both data and model perspectives. Specifically, 1) from a data perspective, to clarify the impact of data on the performance of editing models, this paper first constructs a **M**ulti-**Q**uestion **D**ataset (**MQD**) to evaluate the impact of different types of editing data on model performance. The performance of the editing model is mainly affected by the diversity of editing targets and sequence length, as determined through experiments. 2) From a model perspective, this article explores the factors that affect the performance of editing models. The results indicate a strong correlation between the L1-norm of the editing model layer and the editing accuracy, and clarify that this is an important factor leading to the bottleneck of editing performance. Finally, in order to improve the performance of the editing model, this paper further proposes a **D**ump **for** **S**equence (**D4S**) method, which successfully overcomes the previous editing bottleneck by reducing the L1-norm of the editing layer, allowing users to perform multiple effective edits and minimizing model damage. Our code is available at https://github.com/nlpkeg/D4S.

We measure the out-of-domain uncertainty in the prediction of Neural Networks using a statistical notion called "Lens Depth'' (LD) combined with Fermat Distance, which is able to capture precisely the "depth'' of a point with respect to a distribution in feature space, without any distributional assumption. Our method also has no trainable parameter. The method is applied directly in the feature space at test time and does not intervene in training process. As such, it does not impact the performance of the original model. The proposed method gives excellent qualitative results on toy datasets and can give competitive or better uncertainty estimation on standard deep learning datasets compared to strong baseline methods.

Mutual Information (MI) is a fundamental metric for quantifying dependency between two random variables. When we can access only the samples, but not the underlying distribution functions, we can evaluate MI using sample-based estimators. Assessment of such MI estimators, however, has almost always relied on analytical datasets including Gaussian multivariates. Such datasets allow analytical calculations of the true MI values, but they are limited in that they do not reflect the complexities of real-world datasets. This study introduces a comprehensive benchmark suite for evaluating neural MI estimators on unstructured datasets, specifically focusing on images and texts. By leveraging same-class sampling for positive pairing and introducing a binary symmetric channel trick, we show that we can accurately manipulate true MI values of real-world datasets. Using the benchmark suite, we investigate seven challenging scenarios, shedding light on the reliability of neural MI estimators for unstructured datasets.