NeurIPS 2024 Papers

Current video-language models (VLMs) rely extensively on instance-level alignment between video and language modalities, which presents two major limitations: (1) visual reasoning disobeys the natural perception that humans do in first-person perspective, leading to a lack of reasoning interpretation; and (2) learning is limited in capturing inherent fine-grained relationships between two modalities. In this paper, we take an inspiration from human perception and explore a compositional approach for egocentric video representation. We introduce HENASY (Hierarchical ENtities ASsemblY), which includes a spatiotemporal token grouping mechanism to explicitly assemble dynamically evolving scene entities through time and model their relationship for video representation. By leveraging compositional structure understanding, HENASY possesses strong interpretability via visual grounding with free-form text queries. We further explore a suite of multi-grained contrastive losses to facilitate entity-centric understandings. This comprises three alignment types: video-narration, noun-entity, verb-entities alignments. Our method demonstrates strong interpretability in both quantitative and qualitative experiments; while maintaining competitive performances on five downstream tasks via zero-shot transfer or as video/text representation, including video/text retrieval, action recognition, multi-choice query, natural language query, and moments query. Project page: https://uark-aicv.github.io/HENASY

Identifying the features learned by neural networks is a core challenge in mechanistic interpretability. Sparse autoencoders (SAEs), which learn a sparse, overcomplete dictionary that reconstructs a network's internal activations, have been used to identify these features. However, SAEs may learn more about the structure of the datatset than the computational structure of the network. There is therefore only indirect reason to believe that the directions found in these dictionaries are functionally important to the network. We propose end-to-end (e2e) sparse dictionary learning, a method for training SAEs that ensures the features learned are functionally important by minimizing the KL divergence between the output distributions of the original model and the model with SAE activations inserted. Compared to standard SAEs, e2e SAEs offer a Pareto improvement: They explain more network performance, require fewer total features, and require fewer simultaneously active features per datapoint, all with no cost to interpretability. We explore geometric and qualitative differences between e2e SAE features and standard SAE features. E2e dictionary learning brings us closer to methods that can explain network behavior concisely and accurately. We release our library for training e2e SAEs and reproducing our analysis at https://github.com/ApolloResearch/e2e_sae.

We study reinforcement learning with _multinomial logistic_ (MNL) function approximation where the underlying transition probability kernel of the _Markov decision processes_ (MDPs) is parametrized by an unknown transition core with features of state and action. For the finite horizon episodic setting with inhomogeneous state transitions, we propose provably efficient algorithms with randomized exploration having frequentist regret guarantees. For our first algorithm, $\texttt{RRL-MNL}$, we adapt optimistic sampling to ensure the optimism of the estimated value function with sufficient frequency and establish that $\texttt{RRL-MNL}$ is both _statistically_ and _computationally_ efficient, achieving a $\tilde{\mathcal{O}}(\kappa^{-1} d^{\frac{3}{2}} H^{\frac{3}{2}} \sqrt{T})$ frequentist regret bound with constant-time computational cost per episode. Here, $d$ is the dimension of the transition core, $H$ is the horizon length, $T$ is the total number of steps, and $\kappa$ is a problem-dependent constant. Despite the simplicity and practicality of $\texttt{RRL-MNL}$, its regret bound scales with $\kappa^{-1}$, which is potentially large in the worst case. To improve the dependence on $\kappa^{-1}$, we propose $\texttt{ORRL-MNL}$, which estimates the value function using local gradient information of the MNL transition model. We show that its frequentist regret bound is $\tilde{\mathcal{O}}(d^{\frac{3}{2}} H^{\frac{3}{2}} \sqrt{T} + \kappa^{-1} d^2 H^2)$. To the best of our knowledge, these are the first randomized RL algorithms for the MNL transition model that achieve both computational and statistical efficiency. Numerical experiments demonstrate the superior performance of the proposed algorithms.

Safe reinforcement learning (RL) is a promising approach for many real-world decision-making problems where ensuring safety is a critical necessity. In safe RL research, while expected cumulative safety constraints (ECSCs) are typically the first choices, chance constraints are often more pragmatic for incorporating safety under uncertainties. This paper proposes a \textit{flipping-based policy} for Chance-Constrained Markov Decision Processes (CCMDPs). The flipping-based policy selects the next action by tossing a potentially distorted coin between two action candidates. The probability of the flip and the two action candidates vary depending on the state. We establish a Bellman equation for CCMDPs and further prove the existence of a flipping-based policy within the optimal solution sets. Since solving the problem with joint chance constraints is challenging in practice, we then prove that joint chance constraints can be approximated into Expected Cumulative Safety Constraints (ECSCs) and that there exists a flipping-based policy in the optimal solution sets for constrained MDPs with ECSCs. As a specific instance of practical implementations, we present a framework for adapting constrained policy optimization to train a flipping-based policy. This framework can be applied to other safe RL algorithms. We demonstrate that the flipping-based policy can improve the performance of the existing safe RL algorithms under the same limits of safety constraints on Safety Gym benchmarks.

Topic models have been evolving rapidly over the years, from conventional to recent neural models. However, existing topic models generally struggle with either effectiveness, efficiency, or stability, highly impeding their practical applications. In this paper, we propose FASTopic, a fast, adaptive, stable, and transferable topic model. FASTopic follows a new paradigm: Dual Semantic-relation Reconstruction (DSR). Instead of previous conventional, VAE-based, or clustering-based methods, DSR directly models the semantic relations among document embeddings from a pretrained Transformer and learnable topic and word embeddings. By reconstructing through these semantic relations, DSR discovers latent topics. This brings about a neat and efficient topic modeling framework. We further propose a novel Embedding Transport Plan (ETP) method. Rather than early straightforward approaches, ETP explicitly regularizes the semantic relations as optimal transport plans. This addresses the relation bias issue and thus leads to effective topic modeling. Extensive experiments on benchmark datasets demonstrate that our FASTopic shows superior effectiveness, efficiency, adaptivity, stability, and transferability, compared to state-of-the-art baselines across various scenarios.

We introduce a novel implicit field representation tailored for multi-person interaction geometry in 3D spaces, capable of simultaneously reconstructing occupancy, instance identification (ID) tags, and contact fields. Volumetric representation of interacting human bodies presents significant challenges, including inaccurately captured geometries, varying degrees of occlusion, and data scarcity. Existing multi-view methods, which either reconstruct each subject in isolation or merge nearby 3D surfaces into a single unified mesh, often fail to capture the intricate geometry between interacting bodies and exploit on datasets with many views and a small group of people for training. Our approach utilizes an implicit representation for interaction geometry contextualized by a multi-view local-global feature module. This module adeptly aggregates both local and global information from individual views and interacting groups, enabling precise modeling of close physical interactions through dense point retrieval in small areas, supported by the implicit fields. Furthermore, we develop a synthetic dataset encompassing diverse multi-person interaction scenarios to enhance the robustness of our geometry estimation. The experimental results demonstrate the superiority of our method to accurately reconstruct human geometries and ID tags within three-dimensional spaces, outperforming conventional multi-view techniques. Notably, our method facilitates unsupervised estimation of contact points without the need for specific training data on contact supervision.

Post-training quantization (PTQ) reduces the memory footprint of LLMs by quantizing weights to low-precision datatypes. Since LLM inference is usually memory-bound, PTQ methods can improve inference throughput. Recent state-of-the-art PTQ approaches use vector quantization (VQ) to quantize multiple weights at once, which improves information utilization through better shaping. However, VQ requires a codebook with size exponential in the dimension. This limits current VQ-based PTQ works to low VQ dimensions ($\le 8$) that in turn limit quantization quality. Here, we introduce QTIP, which instead uses trellis coded quantization (TCQ) to achieve ultra-high-dimensional quantization. TCQ uses a stateful decoder that separates the codebook size from the bitrate and effective dimension. QTIP introduces a spectrum of lookup-only to computed lookup-free trellis codes designed for a hardware-efficient "bitshift" trellis structure; these codes achieve state-of-the-art results in both quantization quality and inference speed.

Simulators are a pervasive tool in reinforcement learning, but most existing algorithms cannot efficiently exploit simulator access -- particularly in high-dimensional domains that require general function approximation. We explore the power of simulators through online reinforcement learning with local simulator access (or, local planning), an RL protocol where the agent is allowed to reset to previously observed states and follow their dynamics during training. We use local simulator access to unlock new statistical guarantees that were previously out of reach: - We show that MDPs with low coverability (Xie et al. 2023) -- a general structural condition that subsumes Block MDPs and Low-Rank MDPs -- can be learned in a sample-efficient fashion with only Q⋆-realizability (realizability of the optimal state-value function); existing online RL algorithms require significantly stronger representation conditions. - As a consequence, we show that the notorious Exogenous Block MDP problem (Efroni et al. 2022) is tractable under local simulator access. The results above are achieved through a computationally inefficient algorithm. We complement them with a more computationally efficient algorithm, RVFS (Recursive Value Function Search), which achieves provable sample complexity guarantees under a strengthened statistical assumption known as pushforward coverability. RVFS can be viewed as a principled, provable counterpart to a successful empirical paradigm that combines recursive search (e.g., MCTS) with value function approximation.

Large Reconstruction Models have made significant strides in the realm of automated 3D content generation from single or multiple input images. Despite their success, these models often produce 3D meshes with geometric inaccuracies, stemming from the inherent challenges of deducing 3D shapes solely from image data. In this work, we introduce a novel framework, the Large Image and Point Cloud Alignment Model (LAM3D), which utilizes 3D point cloud data to enhance the fidelity of generated 3D meshes. Our methodology begins with the development of a point-cloud-based network that effectively generates precise and meaningful latent tri-planes, laying the groundwork for accurate 3D mesh reconstruction. Building upon this, our Image-Point-Cloud Feature Alignment technique processes a single input image, aligning to the latent tri-planes to imbue image features with robust 3D information. This process not only enriches the image features but also facilitates the production of high-fidelity 3D meshes without the need for multi-view input, significantly reducing geometric distortions. Our approach achieves state-of-the-art high-fidelity 3D mesh reconstruction from a single image in just 6 seconds, and experiments on various datasets demonstrate its effectiveness.

We introduce AlphaTablets, a novel and generic representation of 3D planes that features continuous 3D surface and precise boundary delineation. By representing 3D planes as rectangles with alpha channels, AlphaTablets combine the advantages of current 2D and 3D plane representations, enabling accurate, consistent and flexible modeling of 3D planes. We derive differentiable rasterization on top of AlphaTablets to efficiently render 3D planes into images, and propose a novel bottom-up pipeline for 3D planar reconstruction from monocular videos. Starting with 2D superpixels and geometric cues from pre-trained models, we initialize 3D planes as AlphaTablets and optimize them via differentiable rendering. An effective merging scheme is introduced to facilitate the growth and refinement of AlphaTablets. Through iterative optimization and merging, we reconstruct complete and accurate 3D planes with solid surfaces and clear boundaries. Extensive experiments on the ScanNet dataset demonstrate state-of-the-art performance in 3D planar reconstruction, underscoring the great potential of AlphaTablets as a generic 3D plane representation for various applications.

Federated Learning (FL) is an appealing approach to training machine learning models without sharing raw data. However, standard FL algorithms are iterative and thus induce a significant communication cost. One-Shot FL (OFL) trades the iterative exchange of models between clients and the server with a single round of communication, thereby saving substantially on communication costs. Not surprisingly, OFL exhibits a performance gap in terms of accuracy with respect to FL, especially under high data heterogeneity. We introduce Fens, a novel federated ensembling scheme that approaches the accuracy of FL with the communication efficiency of OFL. Learning in Fens proceeds in two phases: first, clients train models locally and send them to the server, similar to OFL; second, clients collaboratively train a lightweight prediction aggregator model using FL. We showcase the effectiveness of Fens through exhaustive experiments spanning several datasets and heterogeneity levels. In the particular case of heterogeneously distributed CIFAR-10 dataset, Fens achieves up to a $26.9$% higher accuracy over SOTA OFL, being only $3.1$% lower than FL. At the same time, Fens incurs at most $4.3\times$ more communication than OFL, whereas FL is at least $10.9\times$ more communication-intensive than Fens.

We introduce the framework of performative control, where the policy chosen by the controller affects the underlying dynamics of the control system. This results in a sequence of policy-dependent system state data with policy-dependent temporal correlations. Following the recent literature on performative prediction \cite{perdomo2020performative}, we introduce the concept of a performatively stable control (PSC) solution. We first propose a sufficient condition for the performative control problem to admit a unique PSC solution with a problem-specific structure of distributional sensitivity propagation and aggregation. We further analyze the impacts of system stability on the existence of the PSC solution. Specifically, for {almost surely strongly stable} policy-dependent dynamics, the PSC solution exists if the sum of the distributional sensitivities is small enough. However, for almost surely unstable policy-dependent dynamics, the existence of the PSC solution will necessitate a temporally backward decaying of the distributional sensitivities. We finally provide a repeated stochastic gradient descent scheme that converges to the PSC solution and analyze its non-asymptotic convergence rate. Numerical results validate our theoretical analysis.

Researchers have been studying approaches to steer the behavior of Large Language Models (LLMs) and build personalized LLMs tailored for various applications. While fine-tuning seems to be a direct solution, it requires substantial computational resources and may significantly affect the utility of the original LLM. Recent endeavors have introduced more lightweight strategies, focusing on extracting ``steering vectors'' to guide the model's output toward desired behaviors by adjusting activations within specific layers of the LLM's transformer architecture. However, such steering vectors are directly extracted from the activations of human preference data and thus often lead to suboptimal results and occasional failures, especially in alignment-related scenarios. In this work, we propose an innovative approach that could produce more effective steering vectors through bi-directional preference optimization. Our method is designed to allow steering vectors to directly influence the generation probability of contrastive human preference data pairs, thereby offering a more precise representation of the target behavior. By carefully adjusting the direction and magnitude of the steering vector, we enabled personalized control over the desired behavior across a spectrum of intensities. Extensive experimentation across various open-ended generation tasks, particularly focusing on steering AI personas, has validated the efficacy of our approach. Moreover, we comprehensively investigate critical alignment-concerning scenarios, such as managing truthfulness, mitigating hallucination, and addressing jailbreaking attacks alongside their respective defenses. Remarkably, our method can still demonstrate outstanding steering effectiveness across these scenarios. Furthermore, we showcase the transferability of our steering vectors across different models/LoRAs and highlight the synergistic benefits of applying multiple vectors simultaneously. These findings significantly broaden the practicality and versatility of our proposed method.

Implicit neural networks including deep equilibrium models have achieved superior task performance with better parameter efficiency in various applications. However, it is often at the expense of higher computation costs during inference. In this work, we identify a phenomenon named $\textbf{heterogeneous convergence}$ that exists in deep equilibrium models and other iterative methods. We observe much faster convergence of state activations in certain dimensions therefore indicating the dimensionality of the underlying dynamics of the forward pass is much lower than the defined dimension of the states. We thereby propose to exploit heterogeneous convergence by storing past linear operation results (e.g., fully connected and convolutional layers) and only propagating the state activation when its change exceeds a threshold. Thus, for the already converged dimensions, the computations can be skipped. We verified our findings and reached 84\% FLOPs reduction on the implicit neural representation task, 73\% on the Sintel and 76\% on the KITTI datasets for the optical flow estimation task while keeping comparable task accuracy with the models that perform the full update.

Long-tailed visual recognition has received increasing attention recently. Despite fine-tuning techniques represented by visual prompt tuning (VPT) achieving substantial performance improvement by leveraging pre-trained knowledge, models still exhibit unsatisfactory generalization performance on tail classes. To address this issue, we propose a novel optimization strategy called Gaussian neighborhood minimization prompt tuning (GNM-PT), for VPT to address the long-tail learning problem. We introduce a novel Gaussian neighborhood loss, which provides a tight upper bound on the loss function of data distribution, facilitating a flattened loss landscape correlated to improved model generalization. Specifically, GNM-PT seeks the gradient descent direction within a random parameter neighborhood, independent of input samples, during each gradient update. Ultimately, GNM-PT enhances generalization across all classes while simultaneously reducing computational overhead. The proposed GNM-PT achieves state-of-the-art classification accuracies of 90.3%, 76.5%, and 50.1% on benchmark datasets CIFAR100-LT (IR 100), iNaturalist 2018, and Places-LT, respectively. The source code is available at https://github.com/Keke921/GNM-PT.

In practical scenarios, it is necessary to build variable-sized models to accommodate diverse resource constraints, where weight initialization serves as a crucial step preceding training. The recently introduced Learngene framework firstly learns one compact module, termed learngene, from a large well-trained model, and then transforms learngene to initialize variable-sized models. However, the existing Learngene methods provide limited guidance on transforming learngene, where transformation mechanisms are manually designed and generally lack a learnable component. Moreover, these methods only consider transforming learngene along depth dimension, thus constraining the flexibility of learngene. Motivated by these concerns, we propose a novel and effective Learngene approach termed LeTs (Learnable Transformation), where we transform the learngene module along both width and depth dimension with a set of learnable matrices for flexible variablesized model initialization. Specifically, we construct an auxiliary model comprising the compact learngene module and learnable transformation matrices, enabling both components to be trained. To meet the varying size requirements of target models, we select specific parameters from well-trained transformation matrices to adaptively transform the learngene, guided by strategies such as continuous selection and magnitude-wise selection. Extensive experiments on ImageNet-1K demonstrate that Des-Nets initialized via LeTs outperform those with 100-epoch from scratch training after only 1 epoch tuning. When transferring to downstream image classification tasks, LeTs achieves better results while outperforming from scratch training after about 10 epochs within a 300-epoch training schedule.

Invisible watermarks safeguard images' copyrights by embedding hidden messages only detectable by owners. They also prevent people from misusing images, especially those generated by AI models. We propose a family of regeneration attacks to remove these invisible watermarks. The proposed attack method first adds random noise to an image to destroy the watermark and then reconstructs the image. This approach is flexible and can be instantiated with many existing image-denoising algorithms and pre-trained generative models such as diffusion models. Through formal proofs and extensive empirical evaluations, we demonstrate that pixel-level invisible watermarks are vulnerable to this regeneration attack. Our results reveal that, across four different pixel-level watermarking schemes, the proposed method consistently achieves superior performance compared to existing attack techniques, with lower detection rates and higher image quality. However, watermarks that keep the image semantically similar can be an alternative defense against our attacks. Our finding underscores the need for a shift in research/industry emphasis from invisible watermarks to semantic-preserving watermarks. Code is available at https://github.com/XuandongZhao/WatermarkAttacker

While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to organic retrosynthesis planning. In this paper, we propose Retrieval-Retro for inorganic retrosynthesis planning, which implicitly extracts the precursor information of reference materials that are retrieved from the knowledge base regarding domain expertise in the field. Specifically, instead of directly employing the precursor information of reference materials, we propose implicitly extracting it with various attention layers, which enables the model to learn novel synthesis recipes more effectively. Moreover, during retrieval, we consider the thermodynamic relationship between target material and precursors, which is essential domain expertise in identifying the most probable precursor set among various options. Extensive experiments demonstrate the superiority of Retrieval-Retro in retrosynthesis planning, especially in discovering novel synthesis recipes, which is crucial for materials discovery. The source code for Retrieval-Retro is available at https://github.com/HeewoongNoh/Retrieval-Retro.

There has been significant recent interest in graph-based nearest neighbor search methods, many of which are centered on the construction of (approximately) "navigable" graphs over high-dimensional point sets. A graph is navigable if we can successfully move from any starting node to any target node using a greedy routing strategy where we always move to the neighbor that is closest to the destination according to the given distance function. The complete graph is obviously navigable for any point set, but the important question for applications is if sparser graphs can be constructed. While this question is fairly well understood in low-dimensions, we establish some of the first upper and lower bounds for high-dimensional point sets. First, we give a simple and efficient way to construct a navigable graph with average degree $O(\sqrt{n \log n })$ for any set of $n$ points, in any dimension, for any distance function. We compliment this result with a nearly matching lower bound: even under the Euclidean metric in $O(\log n)$ dimensions, a random point set has no navigable graph with average degree $O(n^{\alpha})$ for any $\alpha < 1/2$. Our lower bound relies on sharp anti-concentration bounds for binomial random variables, which we use to show that the {near-neighborhoods} of a set of random points do not overlap significantly, forcing any navigable graph to have many edges.