NeurIPS 2024 Papers

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.

Recent work has found that sparse autoencoders (SAEs) are an effective technique for unsupervised discovery of interpretable features in language models' (LMs) activations, by finding sparse, linear reconstructions of those activations. We introduce the Gated Sparse Autoencoder (Gated SAE), which achieves a Pareto improvement over training with prevailing methods. In SAEs, the L1 penalty used to encourage sparsity introduces many undesirable biases, such as shrinkage -- systematic underestimation of feature activations. The key insight of Gated SAEs is to separate the functionality of (a) determining which directions to use and (b) estimating the magnitudes of those directions: this enables us to apply the L1 penalty only to the former, limiting the scope of undesirable side effects. Through training SAEs on LMs of up to 7B parameters we find that, in typical hyper-parameter ranges, Gated SAEs solve shrinkage, are similarly interpretable, and require half as many firing features to achieve comparable reconstruction fidelity.

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.

Vision Transformers (ViT) is known for its scalability. In this work, we target to scale down a ViT to fit in an environment with dynamic-changing resource constraints. We observe that smaller ViTs are intrinsically the sub-networks of a larger ViT with different widths. Thus, we propose a general framework, named Scala, to enable a single network to represent multiple smaller ViTs with flexible inference capability, which aligns with the inherent design of ViT to vary from widths. Concretely, Scala activates several subnets during training, introduces Isolated Activation to disentangle the smallest sub-network from other subnets, and leverages Scale Coordination to ensure each sub-network receives simplified, steady, and accurate learning objectives. Comprehensive empirical validations on different tasks demonstrate that with only one-shot training, Scala learns slimmable representation without modifying the original ViT structure and matches the performance of Separate Training. Compared with the prior art, Scala achieves an average improvement of 1.6% on ImageNet-1K with fewer parameters.

AI-driven design problems, such as DNA/protein sequence design, are commonly tackled from two angles: generative modeling, which efficiently captures the feasible design space (e.g., natural images or biological sequences), and model-based optimization, which utilizes reward models for extrapolation. To combine the strengths of both approaches, we adopt a hybrid method that fine-tunes cutting-edge diffusion models by optimizing reward models through RL. Although prior work has explored similar avenues, they primarily focus on scenarios where accurate reward models are accessible. In contrast, we concentrate on an offline setting where a reward model is unknown, and we must learn from static offline datasets, a common scenario in scientific domains. In offline scenarios, existing approaches tend to suffer from overoptimization, as they may be misled by the reward model in out-of-distribution regions. To address this, we introduce a conservative fine-tuning approach, BRAID, by optimizing a conservative reward model, which includes additional penalization outside of offline data distributions. Through empirical and theoretical analysis, we demonstrate the capability of our approach to outperform the best designs in offline data, leveraging the extrapolation capabilities of reward models while avoiding the generation of invalid designs through pre-trained diffusion models.

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.

There has been exciting progress in generating images from natural language or layout conditions. However, these methods struggle to faithfully reproduce complex scenes due to the insufficient modeling of multiple objects and their relationships. To address this issue, we leverage the scene graph, a powerful structured representation, for complex image generation. Different from the previous works that directly use scene graphs for generation, we employ the generative capabilities of variational autoencoders and diffusion models in a generalizable manner, compositing diverse disentangled visual clues from scene graphs. Specifically, we first propose a Semantics-Layout Variational AutoEncoder (SL-VAE) to jointly derive (layouts, semantics) from the input scene graph, which allows a more diverse and reasonable generation in a one-to-many mapping. We then develop a Compositional Masked Attention (CMA) integrated with a diffusion model, incorporating (layouts, semantics) with fine-grained attributes as generation guidance. To further achieve graph manipulation while keeping the visual content consistent, we introduce a Multi-Layered Sampler (MLS) for an "isolated" image editing effect. Extensive experiments demonstrate that our method outperforms recent competitors based on text, layout, or scene graph, in terms of generation rationality and controllability.

In recent years, there has been a proliferation of ready-to-use large language models (LLMs) designed for various applications, both general-purpose and domain-specific. Instead of advocating for the development of a new model or continuous pretraining of an existing one, this paper introduces a pragmatic teacher-teacher framework to facilitate mutual learning between two pre-existing models. By leveraging two teacher models possessing complementary knowledge, we introduce a LIghtweight kNowledge alignmEnt (LINE) module aimed at harmonizing their knowledge within a unified representation space. This framework is particularly valuable in clinical settings, where stringent regulations and privacy considerations dictate the handling of detailed clinical notes. Our trained LINE module excels in capturing critical information from clinical notes, leveraging highly de-identified data. Validation and downstream tasks further demonstrate the effectiveness of the proposed framework.

Federated learning (FL) has rapidly evolved as a promising paradigm that enables collaborative model training across distributed participants without exchanging their local data. Despite its broad applications in fields such as computer vision, graph learning, and natural language processing, the development of a data projection model that can be effectively used to visualize data in the context of FL is crucial yet remains heavily under-explored. Neighbor embedding (NE) is an essential technique for visualizing complex high-dimensional data, but collaboratively learning a joint NE model is difficult. The key challenge lies in the objective function, as effective visualization algorithms like NE require computing loss functions among pairs of data. In this paper, we introduce \textsc{FedNE}, a novel approach that integrates the \textsc{FedAvg} framework with the contrastive NE technique, without any requirements of shareable data. To address the lack of inter-client repulsion which is crucial for the alignment in the global embedding space, we develop a surrogate loss function that each client learns and shares with each other. Additionally, we propose a data-mixing strategy to augment the local data, aiming to relax the problems of invisible neighbors and false neighbors constructed by the local $k$NN graphs. We conduct comprehensive experiments on both synthetic and real-world datasets. The results demonstrate that our \textsc{FedNE} can effectively preserve the neighborhood data structures and enhance the alignment in the global embedding space compared to several baseline methods.

Many critical decisions, such as personalized medical diagnoses and product pricing, are made based on insights gained from designing, observing, and analyzing a series of experiments. This highlights the crucial role of experimental design, which goes beyond merely collecting information on system parameters as in traditional Bayesian experimental design (BED), but also plays a key part in facilitating downstream decision-making. Most recent BED methods use an amortized policy network to rapidly design experiments. However, the information gathered through these methods is suboptimal for down-the-line decision-making, as the experiments are not inherently designed with downstream objectives in mind. In this paper, we present an amortized decision-aware BED framework that prioritizes maximizing downstream decision utility. We introduce a novel architecture, the Transformer Neural Decision Process (TNDP), capable of instantly proposing the next experimental design, whilst inferring the downstream decision, thus effectively amortizing both tasks within a unified workflow. We demonstrate the performance of our method across several tasks, showing that it can deliver informative designs and facilitate accurate decision-making.

We present a detailed study of surrogate losses and algorithms for multi-label learning, supported by $H$-consistency bounds. We first show that, for the simplest form of multi-label loss (the popular Hamming loss), the well-known consistent binary relevance surrogate suffers from a sub-optimal dependency on the number of labels in terms of $H$-consistency bounds, when using smooth losses such as logistic losses. Furthermore, this loss function fails to account for label correlations. To address these drawbacks, we introduce a novel surrogate loss, *multi-label logistic loss*, that accounts for label correlations and benefits from label-independent $H$-consistency bounds. We then broaden our analysis to cover a more extensive family of multi-label losses, including all common ones and a new extension defined based on linear-fractional functions with respect to the confusion matrix. We also extend our multi-label logistic losses to more comprehensive multi-label comp-sum losses, adapting comp-sum losses from standard classification to the multi-label learning. We prove that this family of surrogate losses benefits from $H$-consistency bounds, and thus Bayes-consistency, across any general multi-label loss. Our work thus proposes a unified surrogate loss framework benefiting from strong consistency guarantees for any multi-label loss, significantly expanding upon previous work which only established Bayes-consistency and for specific loss functions. Additionally, we adapt constrained losses from standard classification to multi-label constrained losses in a similar way, which also benefit from $H$-consistency bounds and thus Bayes-consistency for any multi-label loss. We further describe efficient gradient computation algorithms for minimizing the multi-label logistic loss.

We consider the problem of privately estimating a parameter $\mathbb{E}[h(X_1,\dots,X_k)]$, where $X_1$, $X_2$, $\dots$, $X_k$ are i.i.d. data from some distribution and $h$ is a permutation-invariant function. Without privacy constraints, the standard estimators for this task are U-statistics, which commonly arise in a wide range of problems, including nonparametric signed rank tests, symmetry testing, uniformity testing, and subgraph counts in random networks, and are the unique minimum variance unbiased estimators under mild conditions. Despite the recent outpouring of interest in private mean estimation, privatizing U-statistics has received little attention. While existing private mean estimation algorithms can be applied in a black-box manner to obtain confidence intervals, we show that they can lead to suboptimal private error, e.g., constant-factor inflation in the leading term, or even $\Theta(1/n)$ rather than $O(1/n^2)$ in degenerate settings. To remedy this, we propose a new thresholding-based approach that reweights different subsets of the data using _local Hájek projections_. This leads to nearly optimal private error for non-degenerate U-statistics and a strong indication of near-optimality for degenerate U-statistics.

This work studies the problem of out-of-distribution fluid dynamics modeling. Previous works usually design effective neural operators to learn from mesh-based data structures. However, in real-world applications, they would suffer from distribution shifts from the variance of system parameters and temporal evolution of the dynamical system. In this paper, we propose a novel approach named \underline{P}rompt Evol\underline{u}tion with G\underline{r}aph OD\underline{E} (\method{}) for out-of-distribution fluid dynamics modeling. The core of our \method{} is to learn time-evolving prompts using a graph ODE to adapt spatio-temporal forecasting models to different scenarios. In particular, our \method{} first learns from historical observations and system parameters in the frequency domain to explore multi-view context information, which could effectively initialize prompt embeddings. More importantly, we incorporate the interpolation of observation sequences into a graph ODE, which can capture the temporal evolution of prompt embeddings for model adaptation. These time-evolving prompt embeddings are then incorporated into basic forecasting models to overcome temporal distribution shifts. We also minimize the mutual information between prompt embeddings and observation embeddings to enhance the robustness of our model to different distributions. Extensive experiments on various benchmark datasets validate the superiority of the proposed \method{} in comparison to various baselines.

Boosting is an extremely successful idea, allowing one to combine multiple low accuracy classifiers into a much more accurate voting classifier. In this work, we present a new and surprisingly simple Boosting algorithm that obtains a provably optimal sample complexity. Sample optimal Boosting algorithms have only recently been developed, and our new algorithm has the fastest runtime among all such algorithms and is the simplest to describe: Partition your training data into 5 disjoint pieces of equal size, run AdaBoost on each, and combine the resulting classifiers via a majority vote. In addition to this theoretical contribution, we also perform the first empirical comparison of the proposed sample optimal Boosting algorithms. Our pilot empirical study suggests that our new algorithm might outperform previous algorithms on large data sets.

Cognitive processes usually take place at a macroscopic scale in systems characterised by emergent properties, which make the whole ‘more than the sum of its parts.’ While recent proposals have provided quantitative, information-theoretic metrics to detect emergence in time series data, it is often highly non-trivial to identify the relevant macroscopic variables a priori. In this paper we leverage recent advances in representation learning and differentiable information estimators to put forward a data-driven method to find emergent variables. The proposed method successfully detects emergent variables and recovers the ground-truth emergence values in a synthetic dataset. Furthermore, we show the method can be extended to learn multiple independent features, extracting a diverse set of emergent quantities. We finally show that a modified method scales to real experimental data from primate brain activity, paving the ground for future analyses uncovering the emergent structure of cognitive representations in biological and artificial intelligence systems.

Recently, vision model pre-training has evolved from relying on manually annotated datasets to leveraging large-scale, web-crawled image-text data. Despite these advances, there is no pre-training method that effectively exploits the interleaved image-text data, which is very prevalent on the Internet. Inspired by the recent success of compression learning in natural language processing, we propose a novel vision model pre-training method called Latent Compression Learning (LCL) for interleaved image-text data. This method performs latent compression learning by maximizing the mutual information between the inputs and outputs of a causal attention model. The training objective can be decomposed into two basic tasks: 1) contrastive learning between visual representation and preceding context, and 2) generating subsequent text based on visual representation. Our experiments demonstrate that our method not only matches the performance of CLIP on paired pre-training datasets (e.g., LAION), but can also leverage interleaved pre-training data (e.g., MMC4) to learn robust visual representations from scratch, showcasing the potential of vision model pre-training with interleaved image-text data.

The scarcity of high-quality and multi-task singing datasets significantly hinders the development of diverse controllable and personalized singing tasks, as existing singing datasets suffer from low quality, limited diversity of languages and singers, absence of multi-technique information and realistic music scores, and poor task suitability. To tackle these problems, we present GTSinger, a large Global, multi-Technique, free-to-use, high-quality singing corpus with realistic music scores, designed for all singing tasks, along with its benchmarks. Particularly, (1) we collect 80.59 hours of high-quality singing voices, forming the largest recorded singing dataset; (2) 20 professional singers across nine widely spoken languages offer diverse timbres and styles; (3) we provide controlled comparison and phoneme-level annotations of six commonly used singing techniques, helping technique modeling and control; (4) GTSinger offers realistic music scores, assisting real-world musical composition; (5) singing voices are accompanied by manual phoneme-to-audio alignments, global style labels, and 16.16 hours of paired speech for various singing tasks. Moreover, to facilitate the use of GTSinger, we conduct four benchmark experiments: technique-controllable singing voice synthesis, technique recognition, style transfer, and speech-to-singing conversion.

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.

This paper advances temporal reasoning within dynamically changing high-dimensional noisy observations, focusing on a latent space that characterizes the nonlinear dynamics of objects in their environment. We introduce the *Gated Inference Network* (GIN), an efficient approximate Bayesian inference algorithm for state space models (SSMs) with nonlinear state transitions and emissions. GIN disentangles two latent representations: one representing the object derived from a nonlinear mapping model, and another representing the latent state describing its dynamics. This disentanglement enables direct state estimation and missing data imputation as the world evolves. To infer the latent state, we utilize a deep extended Kalman filter (EKF) approach that integrates a novel compact RNN structure to compute both the Kalman Gain (KG) and smoothing gain (SG), completing the data flow. This design results in a computational cost per step that is linearly faster than EKF but introduces issues such as the exploding gradient problem. To mitigate the exploding gradients caused by the compact RNN structure in our model, we propose a specialized learning method that ensures stable training and inference. The model is then trained end-to-end on videos depicting a diverse range of simulated and real-world physical systems, and outperforms its ounterparts —RNNs, autoregressive models, and variational approaches— in state estimation and missing data imputation tasks.