NeurIPS 2023 论文列表

Sequence prediction on temporal data requires the ability to understand compositional structures of multi-level semantics beyond individual and contextual properties of parts. The task of temporal action segmentation remains challenging for the reason, aiming at translating an untrimmed activity video into a sequence of action segments. This paper addresses the problem by introducing an effective activity grammar to guide neural predictions for temporal action segmentation. We propose a novel grammar induction algorithm, dubbed KARI, that extracts a powerful context-free grammar from action sequence data. We also develop an efficient generalized parser, dubbed BEP, that transforms frame-level probability distributions into a reliable sequence of actions according to the induced grammar with recursive rules. Our approach can be combined with any neural network for temporal action segmentation to enhance the sequence prediction and discover its compositional structure. Experimental results demonstrate that our method significantly improves temporal action segmentation in terms of both performance and interpretability on two standard benchmarks, Breakfast and 50 Salads.

While deep learning techniques have become extremely popular for solving a broad range of optimization problems, methods to enforce hard constraints during optimization, particularly on deep neural networks, remain underdeveloped. Inspired by the rich literature on meshless interpolation and its extension to spectral collocation methods in scientific computing, we develop a series of approaches for enforcing hard constraints on neural fields, which we refer to as Constrained Neural Fields (CNF). The constraints can be specified as a linear operator applied to the neural field and its derivatives. We also design specific model representations and training strategies for problems where standard models may encounter difficulties, such as conditioning of the system, memory consumption, and capacity of the network when being constrained. Our approaches are demonstrated in a wide range of real-world applications. Additionally, we develop a framework that enables highly efficient model and constraint specification, which can be readily applied to any downstream task where hard constraints need to be explicitly satisfied during optimization.

Particle-based variational inference methods (ParVIs) such as Stein variational gradient descent (SVGD) update the particles based on the kernelized Wasserstein gradient flow for the Kullback-Leibler (KL) divergence. However, the design of kernels is often non-trivial and can be restrictive for the flexibility of the method. Recent works show that functional gradient flow approximations with quadratic form regularization terms can improve performance. In this paper, we propose a ParVI framework, called generalized Wasserstein gradient descent (GWG), based on a generalized Wasserstein gradient flow of the KL divergence, which can be viewed as a functional gradient method with a broader class of regularizers induced by convex functions. We show that GWG exhibits strong convergence guarantees. We also provide an adaptive version that automatically chooses Wasserstein metric to accelerate convergence. In experiments, we demonstrate the effectiveness and efficiency of the proposed framework on both simulated and real data problems.

In this paper, we propose Barrier Hamiltonian Monte Carlo (BHMC), a version of the HMC algorithm which aims at sampling from a Gibbs distribution $\pi$ on a manifold $\mathsf{M}$, endowed with a Hessian metric $\mathfrak{g}$ derived from a self-concordant barrier. Our method relies on Hamiltonian dynamics which comprises $\mathfrak{g}$. Therefore, it incorporates the constraints defining $\mathsf{M}$ and is able to exploit its underlying geometry. However, the corresponding Hamiltonian dynamics is defined via non separable Ordinary Differential Equations (ODEs) in contrast to the Euclidean case. It implies unavoidable bias in existing generalization of HMC to Riemannian manifolds. In this paper, we propose a new filter step, called ``involution checking step'', to address this problem. This step is implemented in two versions of BHMC, coined continuous BHMC (c-bHMC) and numerical BHMC (n-BHMC) respectively. Our main results establish that these two new algorithms generate reversible Markov chains with respect to $\pi$ and do not suffer from any bias in comparison to previous implementations. Our conclusions are supported by numerical experiments where we consider target distributions defined on polytopes.

Offline inverse reinforcement learning (Offline IRL) aims to recover the structure of rewards and environment dynamics that underlie observed actions in a fixed, finite set of demonstrations from an expert agent. Accurate models of expertise in executing a task has applications in safety-sensitive applications such as clinical decision making and autonomous driving. However, the structure of an expert's preferences implicit in observed actions is closely linked to the expert's model of the environment dynamics (i.e. the ``world''). Thus, inaccurate models of the world obtained from finite data with limited coverage could compound inaccuracy in estimated rewards. To address this issue, we propose a bi-level optimization formulation of the estimation task wherein the upper level is likelihood maximization based upon a conservative model of the expert's policy (lower level). The policy model is conservative in that it maximizes reward subject to a penalty that is increasing in the uncertainty of the estimated model of the world. We propose a new algorithmic framework to solve the bi-level optimization problem formulation and provide statistical and computational guarantees of performance for the associated optimal reward estimator. Finally, we demonstrate that the proposed algorithm outperforms the state-of-the-art offline IRL and imitation learning benchmarks by a large margin, over the continuous control tasks in MuJoCo and different datasets in the D4RL benchmark.

Graph-based approaches to nearest neighbor search are popular and powerful tools for handling large datasets in practice, but they have limited theoretical guarantees. We study the worst-case performance of recent graph-based approximate nearest neighbor search algorithms, such as HNSW, NSG and DiskANN. For DiskANN, we show that its "slow preprocessing'' version provably supports approximate nearest neighbor search query with constant approximation ratio and poly-logarithmic query time, on data sets with bounded "intrinsic'' dimension. For the other data structure variants studied, including DiskANN with "fast preprocessing'', HNSW and NSG, we present a family of instances on which the empirical query time required to achieve a "reasonable'' accuracy is linear in instance size. For example, for DiskANN, we show that the query procedure can take at least $0.1 n$ steps on instances of size $n$ before it encounters any of the $5$ nearest neighbors of the query.

Building agents based on tree-search planning capabilities with learned models has achieved remarkable success in classic decision-making problems, such as Go and Atari. However, it has been deemed challenging or even infeasible to extend Monte Carlo Tree Search (MCTS) based algorithms to diverse real-world applications, especially when these environments involve complex action spaces and significant simulation costs, or inherent stochasticity. In this work, we introduce LightZero, the first unified benchmark for deploying MCTS/MuZero in general sequential decision scenarios. Specificially, we summarize the most critical challenges in designing a general MCTS-style decision-making solver, then decompose the tightly-coupled algorithm and system design of tree-search RL methods into distinct sub-modules. By incorporating more appropriate exploration and optimization strategies, we can significantly enhance these sub-modules and construct powerful LightZero agents to tackle tasks across a wide range of domains, such as board games, Atari, MuJoCo, MiniGrid and GoBigger. Detailed benchmark results reveal the significant potential of such methods in building scalable and efficient decision intelligence. The code is available as part of OpenDILab at https://github.com/opendilab/LightZero.

Recent years have witnessed a surge of certified robust training pipelines against text adversarial perturbation constructed by synonym substitutions. Given a base model, existing pipelines provide prediction certificates either in the discrete word space or the continuous latent space. However, they are isolated from each other with a structural gap. We observe that existing training frameworks need unification to provide stronger certified robustness. Additionally, they mainly focus on building the certification process but neglect to improve the robustness of the base model. To mitigate the aforementioned limitations, we propose a unified framework named UniT that enables us to train flexibly in either fashion by working in the word embedding space. It can provide a stronger robustness guarantee obtained directly from the word embedding space without extra modules. In addition, we introduce the decoupled regularization (DR) loss to improve the robustness of the base model, which includes two separate robustness regularization terms for the feature extraction and classifier modules. Experimental results on widely used text classification datasets further demonstrate the effectiveness of the designed unified framework and the proposed DR loss for improving the certified robust accuracy.

Sequential recommendation aims to recommend the next item that matches a user’s interest, based on the sequence of items he/she interacted with before. Scrutinizing previous studies, we can summarize a common learning-to-classify paradigm— given a positive item, a recommender model performs negative sampling to add negative items and learns to classify whether the user prefers them or not, based on his/her historical interaction sequence. Although effective, we reveal two inherent limitations: (1) it may differ from human behavior in that a user could imagine an oracle item in mind and select potential items matching the oracle; and (2) the classification is limited in the candidate pool with noisy or easy supervision from negative samples, which dilutes the preference signals towards the oracle item. Yet, generating the oracle item from the historical interaction sequence is mostly unexplored. To bridge the gap, we reshape sequential recommendation as a learning-to-generate paradigm, which is achieved via a guided diffusion model, termed DreamRec. Specifically, for a sequence of historical items, it applies a Transformer encoder to create guidance representations. Noising target items explores the underlying distribution of item space; then, with the guidance of historical interactions, the denoising process generates an oracle item to recover the positive item, so as to cast off negative sampling and depict the true preference of the user directly. We evaluate the effectiveness of DreamRec through extensive experiments and comparisons with existing methods. Codes and data are open-sourced at https://github.com/YangZhengyi98/DreamRec.

We introduce a novel policy learning method that integrates analytical gradients from differentiable environments with the Proximal Policy Optimization (PPO) algorithm. To incorporate analytical gradients into the PPO framework, we introduce the concept of an α-policy that stands as a locally superior policy. By adaptively modifying the α value, we can effectively manage the influence of analytical policy gradients during learning. To this end, we suggest metrics for assessing the variance and bias of analytical gradients, reducing dependence on these gradients when high variance or bias is detected. Our proposed approach outperforms baseline algorithms in various scenarios, such as function optimization, physics simulations, and traffic control environments. Our code can be found online: https://github.com/SonSang/gippo.

Diffusion models have achieved remarkable success in diverse domains such as image synthesis, super-resolution, and 3D molecule generation. Surprisingly, the application of diffusion models in graph learning has garnered little attention. In this paper, we aim to bridge this gap by exploring the use of diffusion models for unsupervised graph representation learning. Our investigation commences with the identification of anisotropic structures within graphs and the recognition of a crucial limitation in the vanilla forward diffusion process when dealing with these anisotropic structures. The original forward diffusion process continually adds isotropic Gaussian noise to the data, which may excessively dilute anisotropic signals, leading to rapid signal-to-noise conversion. This rapid conversion poses challenges for training denoising neural networks and obstructs the acquisition of semantically meaningful representations during the reverse process. To overcome this challenge, we introduce a novel class of models termed {\it directional diffusion models}. These models adopt data-dependent, anisotropic, and directional noises in the forward diffusion process. In order to assess the effectiveness of our proposed models, we conduct extensive experiments on 12 publicly available datasets, with a particular focus on two distinct graph representation learning tasks. The experimental results unequivocally establish the superiority of our models over state-of-the-art baselines, underscoring their effectiveness in capturing meaningful graph representations. Our research not only sheds light on the intricacies of the forward process in diffusion models but also underscores the vast potential of these models in addressing a wide spectrum of graph-related tasks. Our code is available at \url{https://github.com/statsle/DDM}.

Off-policy Learning to Rank (LTR) aims to optimize a ranker from data collected by a deployed logging policy. However, existing off-policy learning to rank methods often make strong assumptions about how users generate the click data, i.e., the click model, and hence need to tailor their methods specifically under different click models. In this paper, we unified the ranking process under general stochastic click models as a Markov Decision Process (MDP), and the optimal ranking could be learned with offline reinforcement learning (RL) directly. Building upon this, we leverage offline RL techniques for off-policy LTR and propose the Click Model-Agnostic Unified Off-policy Learning to Rank (CUOLR) method, which could be easily applied to a wide range of click models. Through a dedicated formulation of the MDP, we show that offline RL algorithms can adapt to various click models without complex debiasing techniques and prior knowledge of the model. Results on various large-scale datasets demonstrate that CUOLR consistently outperforms the state-of-the-art off-policy learning to rank algorithms while maintaining consistency and robustness under different click models.

The Maximum Entropy (Max-Ent) framework has been effectively employed in a variety of Reinforcement Learning (RL) tasks. In this paper, we first propose a novel Max-Ent framework for policy evaluation in a distributional RL setting, named *Distributional Maximum Entropy Policy Evaluation* (D-Max-Ent PE). We derive a generalization-error bound that depends on the complexity of the representation employed, showing that this framework can explicitly take into account the features used to represent the state space while evaluating a policy. Then, we exploit these favorable properties to drive the representation learning of the state space in a Structural Risk Minimization fashion. We employ state-aggregation functions as feature functions and we specialize the D-Max-Ent approach into an algorithm, named *D-Max-Ent Progressive Factorization*, which constructs a progressively finer-grained representation of the state space by balancing the trade-off between preserving information (bias) and reducing the effective number of states, i.e., the complexity of the representation space (variance). Finally, we report the results of some illustrative numerical simulations, showing that the proposed algorithm matches the expected theoretical behavior and highlighting the relationship between aggregations and sample regimes.

The stochastic block model (SBM) is a fundamental model for studying graph clustering or community detection in networks. It has received great attention in the last decade and the balanced case, i.e., assuming all clusters have large size, has been well studied. However, our understanding of SBM with unbalanced communities (arguably, more relevant in practice) is still limited. In this paper, we provide a simple SVD-based algorithm for recovering the communities in the SBM with communities of varying sizes. We improve upon a result of Ailon, Chen and Xu [ICML 2013; JMLR 2015] by removing the assumption that there is a large interval such that the sizes of clusters do not fall in, and also remove the dependency of the size of the recoverable clusters on the number of underlying clusters. We further complement our theoretical improvements with experimental comparisons. Under the planted clique conjecture, the size of the clusters that can be recovered by our algorithm is nearly optimal (up to poly-logarithmic factors) when the probability parameters are constant. As a byproduct, we obtain an efficient clustering algorithm with sublinear query complexity in a faulty oracle model, which is capable of detecting all clusters larger than $\tilde{\Omega}({\sqrt{n}})$, even in the presence of $\Omega(n)$ small clusters in the graph. In contrast, previous efficient algorithms that use a sublinear number of queries are incapable of recovering any large clusters if there are more than $\tilde{\Omega}(n^{2/5})$ small clusters.

Learning with rejection is an important framework that can refrain from making predictions to avoid critical mispredictions by balancing between prediction and rejection. Previous studies on cost-based rejection only focused on the classification setting, which cannot handle the continuous and infinite target space in the regression setting. In this paper, we investigate a novel regression problem called regression with cost-based rejection, where the model can reject to make predictions on some examples given certain rejection costs. To solve this problem, we first formulate the expected risk for this problem and then derive the Bayes optimal solution, which shows that the optimal model should reject to make predictions on the examples whose variance is larger than the rejection cost when the mean squared error is used as the evaluation metric. Furthermore, we propose to train the model by a surrogate loss function that considers rejection as binary classification and we provide conditions for the model consistency, which implies that the Bayes optimal solution can be recovered by our proposed surrogate loss. Extensive experiments demonstrate the effectiveness of our proposed method.

Learning from noisy labels is an important and long-standing problem in machine learning for real applications. One of the main research lines focuses on learning a label corrector to purify potential noisy labels. However, these methods typically rely on strict assumptions and are limited to certain types of label noise. In this paper, we reformulate the label-noise problem from a generative-model perspective, *i.e.*, labels are generated by gradually refining an initial random guess. This new perspective immediately enables existing powerful diffusion models to seamlessly learn the stochastic generative process. Once the generative uncertainty is modeled, we can perform classification inference using maximum likelihood estimation of labels. To mitigate the impact of noisy labels, we propose the **L**abel-**R**etrieval-**A**ugmented (LRA) diffusion model, which leverages neighbor consistency to effectively construct pseudo-clean labels for diffusion training. Our model is flexible and general, allowing easy incorporation of different types of conditional information, *e.g.*, use of pre-trained models, to further boost model performance. Extensive experiments are conducted for evaluation. Our model achieves new state-of-the-art (SOTA) results on all the standard real-world benchmark datasets. Remarkably, by incorporating conditional information from the powerful CLIP model, our method can boost the current SOTA accuracy by 10-20 absolute points in many cases. Code is available: https://anonymous.4open.science/r/LRA-diffusion-5F2F

Binary Balanced Tree Recursive Neural Networks (BBT-RvNNs) enforce sequence composition according to a preset balanced binary tree structure. Thus, their non-linear recursion depth (which is the tree depth) is just $\log_2 n$ ($n$ being the sequence length). Such logarithmic scaling makes BBT-RvNNs efficient and scalable on long sequence tasks such as Long Range Arena (LRA). However, such computational efficiency comes at a cost because BBT-RvNNs cannot solve simple arithmetic tasks like ListOps. On the flip side, RvNN models (e.g., Beam Tree RvNN) that do succeed on ListOps (and other structure-sensitive tasks like formal logical inference) are generally several times more expensive (in time and space) than even Recurrent Neural Networks. In this paper, we introduce a novel framework --- Recursion in Recursion (RIR) to strike a balance between the two sides - getting some of the benefits from both worlds. In RIR, we use a form of two-level nested recursion - where the outer recursion is a $k$-ary balanced tree model with another recursive model (inner recursion) implementing its cell function. For the inner recursion, we choose Beam Tree RvNNs. To adjust Beam Tree RvNNs within RIR we also propose a novel strategy of beam alignment. Overall, this entails that the total recursive depth in RIR is upper-bounded by $k \log_k n$. Our best RIR-based model is the first model that demonstrates high ($\geq 90\%$) length-generalization performance on ListOps while at the same time being scalable enough to be trainable on long sequence inputs from LRA (it can reduce the memory usage of the original Beam Tree RvNN by hundreds of times). Moreover, in terms of accuracy in the LRA language tasks, it performs competitively with Structured State Space Models (SSMs) without any special initialization - outperforming Transformers by a large margin. On the other hand, while SSMs can marginally outperform RIR on LRA, they (SSMs) fail to length-generalize on ListOps. Our code is available at: https://github.com/JRC1995/BeamRecursionFamily/

We study the problem of generating arbitrarily large environments to improve the throughput of multi-robot systems. Prior work proposes Quality Diversity (QD) algorithms as an effective method for optimizing the environments of automated warehouses. However, these approaches optimize only relatively small environments, falling short when it comes to replicating real-world warehouse sizes. The challenge arises from the exponential increase in the search space as the environment size increases. Additionally, the previous methods have only been tested with up to 350 robots in simulations, while practical warehouses could host thousands of robots. In this paper, instead of optimizing environments, we propose to optimize Neural Cellular Automata (NCA) environment generators via QD algorithms. We train a collection of NCA generators with QD algorithms in small environments and then generate arbitrarily large environments from the generators at test time. We show that NCA environment generators maintain consistent, regularized patterns regardless of environment size, significantly enhancing the scalability of multi-robot systems in two different domains with up to 2,350 robots. Additionally, we demonstrate that our method scales a single-agent reinforcement learning policy to arbitrarily large environments with similar patterns. We include the source code at https://github.com/lunjohnzhang/warehouse_env_gen_nca_public.

Graph Contrastive Learning (GCL) has emerged as a popular unsupervised graph representation learning method. However, it has been shown that GCL is vulnerable to adversarial attacks on both the graph structure and node attributes. Although empirical approaches have been proposed to enhance the robustness of GCL, the certifiable robustness of GCL is still remain unexplored. In this paper, we develop the first certifiably robust framework in GCL. Specifically, we first propose a unified criteria to evaluate and certify the robustness of GCL. We then introduce a novel technique, RES (Randomized Edgedrop Smoothing), to ensure certifiable robustness for any GCL model, and this certified robustness can be provably preserved in downstream tasks. Furthermore, an effective training method is proposed for robust GCL. Extensive experiments on real-world datasets demonstrate the effectiveness of our proposed method in providing effective certifiable robustness and enhancing the robustness of any GCL model. The source code of RES is available at https://github.com/ventr1c/RES-GCL.