NeurIPS 2024 Papers

Robotics tasks are highly compositional by nature. For example, to perform a high-level task like cleaning the table a robot must employ low-level capabilities of moving the effectors to the objects on the table, pick them up and then move them off the table one-by-one, while re-evaluating the consequently dynamic scenario in the process. Given that large vision language models (VLMs) have shown progress on many tasks that require high level, human-like reasoning, we ask the question: if the models are taught the requisite low-level capabilities, can they compose them in novel ways to achieve interesting high-level tasks like cleaning the table without having to be explicitly taught so? To this end, we present ClevrSkills - a benchmark suite for compositional reasoning in robotics. ClevrSkills is an environment suite developed on top of the ManiSkill2 simulator and an accompanying dataset. The dataset contains trajectories generated on a range of robotics tasks with language and visual annotations as well as multi-modal prompts as task specification. The suite includes a curriculum of tasks with three levels of compositional understanding, starting with simple tasks requiring basic motor skills. We benchmark multiple different VLM baselines on ClevrSkills and show that even after being pre-trained on large numbers of tasks, these models fail on compositional reasoning in robotics tasks.

In recent years, pretraining models have made significant advancements in the fields of natural language processing (NLP), computer vision (CV), and life sciences. The significant advancements in NLP and CV are predominantly driven by the expansion of model parameters and data size, a phenomenon now recognized as the scaling laws. However, research exploring scaling law in molecular pretraining model remains unexplored. In this work, we present an innovative molecular pretraining model that leverages a two-track transformer to effectively integrate features at the atomic level, graph level, and geometry structure level. Along with this, we systematically investigate the scaling law within molecular pretraining models, examining the power-law correlations between validation loss and model size, dataset size, and computational resources. Consequently, we successfully scale the model to 1.1 billion parameters through pretraining on 800 million conformations, making it the largest molecular pretraining model to date. Extensive experiments show the consistent improvement on the downstream tasks as the model size grows up. The model with 1.1 billion parameters also outperform over existing methods, achieving an average 27\% improvement on the QM9 and 14\% on COMPAS-1D dataset.

Contrastive image-to-LiDAR knowledge transfer, commonly used for learning 3D representations with synchronized images and point clouds, often faces a self-conflict dilemma. This issue arises as contrastive losses unintentionally dissociate features of unmatched points and pixels that share semantic labels, compromising the integrity of learned representations. To overcome this, we harness Visual Foundation Models (VFMs), which have revolutionized the acquisition of pixel-level semantics, to enhance 3D representation learning. Specifically, we utilize off-the-shelf VFMs to generate semantic labels for weakly-supervised pixel-to-point contrastive distillation. Additionally, we employ von Mises-Fisher distributions to structure the feature space, ensuring semantic embeddings within the same class remain consistent across varying inputs. Furthermore, we adapt sampling probabilities of points to address imbalances in spatial distribution and category frequency, promoting comprehensive and balanced learning. Extensive experiments demonstrate that our approach mitigates the challenges posed by traditional methods and consistently surpasses existing image-to-LiDAR contrastive distillation methods in downstream tasks. We have included the code in supplementary materials.

We propose a method of offline reinforcement learning (RL) featuring the performance guarantee without any assumptions on the data support. Under such conditions, estimating or optimizing the conventional performance metric is generally infeasible due to the distributional discrepancy between data and target policy distributions. To address this issue, we employ a worst-case policy value as a new metric and constructively show that the sample complexity bound of $O(\epsilon^{−2})$ is attainable without any data-support conditions, where $\epsilon>0$ is the policy suboptimality in the new metric. Moreover, as the new metric generalizes the conventional one, the algorithm can address standard offline RL tasks without modification. In this context, our sample complexity bound can be seen as a strict improvement on the previous bounds under the single-policy concentrability and the single-policy realizability.

One-shot Federated learning (FL) is a powerful technology facilitating collaborative training of machine learning models in a single round of communication. While its superiority lies in communication efficiency and privacy preservation compared to iterative FL, one-shot FL often compromises model performance. Prior research has primarily focused on employing data-free knowledge distillation to optimize data generators and ensemble models for better aggregating local knowledge into the server model. However, these methods typically struggle with data heterogeneity, where inconsistent local data distributions can cause teachers to provide misleading knowledge. Additionally, they may encounter scalability issues with complex datasets due to inherent two-step information loss: first, during local training (from data to model), and second, when transferring knowledge to the server model (from model to inversed data). In this paper, we propose FedSD2C, a novel and practical one-shot FL framework designed to address these challenges. FedSD2C introduces a distiller to synthesize informative distillates directly from local data to reduce information loss and proposes sharing synthetic distillates instead of inconsistent local models to tackle data heterogeneity. Our empirical results demonstrate that FedSD2C consistently outperforms other one-shot FL methods with more complex and real datasets, achieving up to 2.6 $\times$ the performance of the best baseline. Code: https://github.com/Carkham/FedSD2C

Model heterogeneous federated learning (MHeteroFL) enables FL clients to collaboratively train models with heterogeneous structures in a distributed fashion. However, existing MHeteroFL methods rely on training loss to transfer knowledge between the client model and the server model, resulting in limited knowledge exchange. To address this limitation, we propose the **Fed**erated model heterogeneous **M**atryoshka **R**epresentation **L**earning (**FedMRL**) approach for supervised learning tasks. It adds an auxiliary small homogeneous model shared by clients with heterogeneous local models. (1) The generalized and personalized representations extracted by the two models' feature extractors are fused by a personalized lightweight representation projector. This step enables representation fusion to adapt to local data distribution. (2) The fused representation is then used to construct Matryoshka representations with multi-dimensional and multi-granular embedded representations learned by the global homogeneous model header and the local heterogeneous model header. This step facilitates multi-perspective representation learning and improves model learning capability. Theoretical analysis shows that FedMRL achieves a $O(1/T)$ non-convex convergence rate. Extensive experiments on benchmark datasets demonstrate its superior model accuracy with low communication and computational costs compared to seven state-of-the-art baselines. It achieves up to 8.48% and 24.94% accuracy improvement compared with the state-of-the-art and the best same-category baseline, respectively.

Existing diffusion-based text-to-3D generation methods primarily focus on producing visually realistic shapes and appearances, often neglecting the physical constraints necessary for downstream tasks. Generated models frequently fail to maintain balance when placed in physics-based simulations or 3D printed. This balance is crucial for satisfying user design intentions in interactive gaming, embodied AI, and robotics, where stable models are needed for reliable interaction. Additionally, stable models ensure that 3D-printed objects, such as figurines for home decoration, can stand on their own without requiring additional supports. To fill this gap, we introduce Atlas3D, an automatic and easy-to-implement method that enhances existing Score Distillation Sampling (SDS)-based text-to-3D tools. Atlas3D ensures the generation of self-supporting 3D models that adhere to physical laws of stability under gravity, contact, and friction. Our approach combines a novel differentiable simulation-based loss function with physically inspired regularization, serving as either a refinement or a post-processing module for existing frameworks. We verify Atlas3D's efficacy through extensive generation tasks and validate the resulting 3D models in both simulated and real-world environments.

While significant advancements have been made in compressed representations for text embeddings in large language models (LLMs), the compression of visual tokens in multi-modal LLMs (MLLMs) has remained a largely overlooked area. In this work, we present the study on the analysis of redundancy concerning visual tokens and efficient training within these models. Our initial experiments show that eliminating up to 70% of visual tokens at the testing stage by simply average pooling only leads to a minimal 3% reduction in visual question answering accuracy on the GQA benchmark, indicating significant redundancy in visual context. Addressing this, we introduce Visual Context Compressor, which reduces the number of visual tokens to enhance training and inference efficiency without sacrificing performance. To minimize information loss caused by the compression on visual tokens while maintaining training efficiency, we develop LLaVolta as a light and staged training scheme that incorporates stage-wise visual context compression to progressively compress the visual tokens from heavily to lightly compression during training, yielding no loss of information when testing. Extensive experiments demonstrate that our approach enhances the performance of MLLMs in both image-language and video-language understanding, while also significantly cutting training costs and improving inference efficiency.

Gesture synthesis is a vital realm of human-computer interaction, with wide-ranging applications across various fields like film, robotics, and virtual reality. Recent advancements have utilized the diffusion model to improve gesture synthesis. However, the high computational complexity of these techniques limits the application in reality. In this study, we explore the potential of state space models (SSMs). Direct application of SSMs in gesture synthesis encounters difficulties, which stem primarily from the diverse movement dynamics of various body parts. The generated gestures may also exhibit unnatural jittering issues. To address these, we implement a two-stage modeling strategy with discrete motion priors to enhance the quality of gestures. Built upon the selective scan mechanism, we introduce MambaTalk, which integrates hybrid fusion modules, local and global scans to refine latent space representations. Subjective and objective experiments demonstrate that our method surpasses the performance of state-of-the-art models. Our project is publicly available at~\url{https://kkakkkka.github.io/MambaTalk/}.

Attention-based transformers have been remarkably successful at modeling generative processes across various domains and modalities. In this paper, we study the behavior of transformers on data drawn from $k^{\text{th}}$-order Markov processes, where the conditional distribution of the next symbol in a sequence depends on the previous $k$ symbols observed. We observe a surprising phenomenon empirically which contradicts previous findings: when trained for sufficiently long, a transformer with a fixed depth and $1$ head per layer is able to achieve low test loss on sequences drawn from $k^{\text{th}}$-order Markov sources, even as $k$ grows. Furthermore, this low test loss is achieved by the transformer’s ability to represent and learn the in-context conditional empirical distribution. On the theoretical side, we prove that a transformer with $O(\log_2(k))$ layers can represent the in-context conditional empirical distribution by composing induction heads to track the previous $k$ symbols in the sequence. Surprisingly, with the addition of layer normalization, we show that a transformer with a constant number of layers can represent the in-context conditional empirical distribution, concurring with our empirical observations. This result provides more insight into the benefit of soft-attention and non-linearities in the transformer architecture.

The kernel thinning algorithm of Dwivedi & Mackey (2024) provides a better-than-i.i.d. compression of a generic set of points. By generating high-fidelity coresets of size significantly smaller than the input points, KT is known to speed up unsupervised tasks like Monte Carlo integration, uncertainty quantification, and non-parametric hypothesis testing, with minimal loss in statistical accuracy. In this work, we generalize the KT algorithm to speed up supervised learning problems involving kernel methods. Specifically, we combine two classical algorithms---Nadaraya-Watson (NW) regression or kernel smoothing, and kernel ridge regression (KRR)---with KT to provide a quadratic speed-up in both training and inference times. We show how distribution compression with KT in each setting reduces to constructing an appropriate kernel, and introduce the Kernel-Thinned NW and Kernel-Thinned KRR estimators. We prove that KT-based regression estimators enjoy significantly superior computational efficiency over the full-data estimators and improved statistical efficiency over i.i.d. subsampling of the training data. En route, we also provide a novel multiplicative error guarantee for compressing with KT. We validate our design choices with both simulations and real data experiments.

The benefit of transformers in large-scale 3D point cloud perception tasks, such as 3D object detection, is limited by their quadratic computation cost when modeling long-range relationships. In contrast, linear RNNs have low computational complexity and are suitable for long-range modeling. Toward this goal, we propose a simple and effective window-based framework built on Linear group RNN (i.e., perform linear RNN for grouped features) for accurate 3D object detection, called LION. The key property is to allow sufficient feature interaction in a much larger group than transformer-based methods. However, effectively applying linear group RNN to 3D object detection in highly sparse point clouds is not trivial due to its limitation in handling spatial modeling. To tackle this problem, we simply introduce a 3D spatial feature descriptor and integrate it into the linear group RNN operators to enhance their spatial features rather than blindly increasing the number of scanning orders for voxel features. To further address the challenge in highly sparse point clouds, we propose a 3D voxel generation strategy to densify foreground features thanks to linear group RNN as a natural property of auto-regressive models. Extensive experiments verify the effectiveness of the proposed components and the generalization of our LION on different linear group RNN operators including Mamba, RWKV, and RetNet. Furthermore, it is worth mentioning that our LION-Mamba achieves state-of-the-art on Waymo, nuScenes, Argoverse V2, and ONCE datasets. Last but not least, our method supports kinds of advanced linear RNN operators (e.g., RetNet, RWKV, Mamba, xLSTM and TTT) on small but popular KITTI dataset for a quick experience with our linear RNN-based framework.

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.

KV cache stores key and value states from previous tokens to avoid re-computation, yet it demands substantial storage space, especially for long sequences. Adaptive KV cache compression seeks to discern the saliency of tokens, preserving vital information while aggressively compressing those of less importance. However, previous methods of this approach exhibit significant performance degradation at high compression ratios due to inaccuracies in identifying salient tokens. Additionally, the compression process introduces excessive overhead, substantially increasing memory burdens and the generation latency. In this paper, we present ZipCache, an accurate and efficient KV cache quantization method for large language models (LLMs). First, we construct a strong baseline for quantizing KV cache. Through the proposed channel-separable tokenwise quantization scheme, the memory overhead of quantization parameters are substantially reduced compared to fine-grained groupwise quantization. To enhance the compression ratio, we propose normalized attention score as an effective metric for identifying salient tokens by considering the lower triangle characteristics of the attention matrix. The quantization bit-width for each token is then adaptively assigned based on their saliency. Moreover, we develop an efficient approximation method that decouples the saliency metric from full attention scores, enabling compatibility with fast attention implementations like FlashAttention. Extensive experiments demonstrate that ZipCache achieves superior compression ratios, fast generation speed and minimal performance losses compared with previous KV cache compression methods. For instance, when evaluating Mistral-7B model on GSM8k dataset, ZipCache is capable of compressing the KV cache by $4.98\times$, with only a 0.38% drop in accuracy. In terms of efficiency, ZipCache also showcases a 37.3% reduction in prefill-phase latency, a 56.9% reduction in decoding-phase latency, and a 19.8% reduction in GPU memory usage when evaluating LLaMA3-8B model with a input length of 4096. Code is available at https://github.com/ThisisBillhe/ZipCache/.

We present a novel bi-directional Transformer architecture (BiXT) which scales linearly with input size in terms of computational cost and memory consumption, but does not suffer the drop in performance or limitation to only one input modality seen with other efficient Transformer-based approaches. BiXT is inspired by the Perceiver architectures but replaces iterative attention with an efficient bi-directional cross-attention module in which input tokens and latent variables attend to each other simultaneously, leveraging a naturally emerging attention-symmetry between the two. This approach unlocks a key bottleneck experienced by Perceiver-like architectures and enables the processing and interpretation of both semantics ('what') and location ('where') to develop alongside each other over multiple layers -- allowing its direct application to dense and instance-based tasks alike. By combining efficiency with the generality and performance of a full Transformer architecture, BiXT can process longer sequences like point clouds, text or images at higher feature resolutions and achieves competitive performance across a range of tasks like point cloud part segmentation, semantic image segmentation, image classification, hierarchical sequence modeling and document retrieval. Our experiments demonstrate that BiXT models outperform larger competitors by leveraging longer sequences more efficiently on vision tasks like classification and segmentation, and perform on par with full Transformer variants on sequence modeling and document retrieval -- but require 28\% fewer FLOPs and are up to $8.4\times$ faster.

We investigate the rate at which algorithms for pre-training language models have improved since the advent of deep learning. Using a dataset of over 200 language model evaluations on Wikitext and Penn Treebank spanning 2012-2023, we find that the compute required to reach a set performance threshold has halved approximately every 8 months, with a 90\% confidence interval of around 2 to 22 months, substantially faster than hardware gains per Moore's Law. We estimate augmented scaling laws, which enable us to quantify algorithmic progress and determine the relative contributions of scaling models versus innovations in training algorithms. Despite the rapid pace of algorithmic progress and the development of new architectures such as the transformer, our analysis reveals that the increase in compute made an even larger contribution to overall performance improvements over this time period. Though limited by noisy benchmark data, our analysis quantifies the rapid progress in language modeling, shedding light on the relative contributions from compute and algorithms.

Conformal Prediction (CP) is a popular uncertainty quantification method that provides distribution-free, statistically valid prediction sets, assuming that training and test data are exchangeable. In such a case, CP's prediction sets are guaranteed to cover the (unknown) true test output with a user-specified probability. Nevertheless, this guarantee is violated when the data is subjected to adversarial attacks, which often result in a significant loss of coverage. Recently, several approaches have been put forward to recover CP guarantees in this setting. These approaches leverage variations of randomised smoothing to produce conservative sets which account for the effect of the adversarial perturbations. They are, however, limited in that they only support $\ell_2$-bounded perturbations and classification tasks. This paper introduces VRCP (Verifiably Robust Conformal Prediction), a new framework that leverages recent neural network verification methods to recover coverage guarantees under adversarial attacks. Our VRCP method is the first to support perturbations bounded by arbitrary norms including $\ell_1$, $\ell_2$, and $\ell_\infty$, as well as regression tasks. We evaluate and compare our approach on image classification tasks (CIFAR10, CIFAR100, and TinyImageNet) and regression tasks for deep reinforcement learning environments. In every case, VRCP achieves above nominal coverage and yields significantly more efficient and informative prediction regions than the SotA.

Stability in recurrent neural models poses a significant challenge, particularly in developing biologically plausible neurodynamical models that can be seamlessly trained. Traditional cortical circuit models are notoriously difficult to train due to expansive nonlinearities in the dynamical system, leading to an optimization problem with nonlinear stability constraints that are difficult to impose. Conversely, recurrent neural networks (RNNs) excel in tasks involving sequential data but lack biological plausibility and interpretability. In this work, we address these challenges by linking dynamic divisive normalization (DN) to the stability of "oscillatory recurrent gated neural integrator circuits'' (ORGaNICs), a biologically plausible recurrent cortical circuit model that dynamically achieves DN and that has been shown to simulate a wide range of neurophysiological phenomena. By using the indirect method of Lyapunov, we prove the remarkable property of unconditional local stability for an arbitrary-dimensional ORGaNICs circuit when the recurrent weight matrix is the identity. We thus connect ORGaNICs to a system of coupled damped harmonic oscillators, which enables us to derive the circuit's energy function, providing a normative principle of what the circuit, and individual neurons, aim to accomplish. Further, for a generic recurrent weight matrix, we prove the stability of the 2D model and demonstrate empirically that stability holds in higher dimensions. Finally, we show that ORGaNICs can be trained by backpropagation through time without gradient clipping/scaling, thanks to its intrinsic stability property and adaptive time constants, which address the problems of exploding, vanishing, and oscillating gradients. By evaluating the model's performance on RNN benchmarks, we find that ORGaNICs outperform alternative neurodynamical models on static image classification tasks and perform comparably to LSTMs on sequential tasks.

Given a collection of feature maps indexed by a set $\mathcal{T}$, we study the performance of empirical risk minimization (ERM) on regression problems with square loss over the union of the linear classes induced by these feature maps. This setup aims at capturing the simplest instance of feature learning, where the model is expected to jointly learn from the data an appropriate feature map and a linear predictor. We start by studying the asymptotic quantiles of the excess risk of sequences of empirical risk minimizers. Remarkably, we show that when the set $\mathcal{T}$ is not too large and when there is a unique optimal feature map, these quantiles coincide, up to a factor of two, with those of the excess risk of the oracle procedure, which knows a priori this optimal feature map and deterministically outputs an empirical risk minimizer from the associated optimal linear class. We complement this asymptotic result with a non-asymptotic analysis that quantifies the decaying effect of the global complexity of the set $\mathcal{T}$ on the excess risk of ERM, and relates it to the size of the sublevel sets of the suboptimality of the feature maps. As an application of our results, we characterize the performance of the best subset selection procedure in sparse linear regression under general assumptions.