NeurIPS 2023 论文列表

We propose a novel neural algorithm for the fundamental problem of computing the entropic optimal transport (EOT) plan between probability distributions which are accessible by samples. Our algorithm is based on the saddle point reformulation of the dynamic version of EOT which is known as the Schrödinger Bridge problem. In contrast to the prior methods for large-scale EOT, our algorithm is end-to-end and consists of a single learning step, has fast inference procedure, and allows handling small values of the entropy regularization coefficient which is of particular importance in some applied problems. Empirically, we show the performance of the method on several large-scale EOT tasks. The code for the ENOT solver can be found at https://github.com/ngushchin/EntropicNeuralOptimalTransport

In this paper, we introduce a generalization of the standard Stackelberg Games (SGs) framework: _Calibrated Stackelberg Games_. In CSGs, a principal repeatedly interacts with an agent who (contrary to standard SGs) does not have direct access to the principal's action but instead best responds to _calibrated forecasts_ about it. CSG is a powerful modeling tool that goes beyond assuming that agents use ad hoc and highly specified algorithms for interacting in strategic settings to infer the principal's actions and thus more robustly addresses real-life applications that SGs were originally intended to capture. Along with CSGs, we also introduce a stronger notion of calibration, termed _adaptive calibration_, that provides fine-grained any-time calibration guarantees against adversarial sequences. We give a general approach for obtaining adaptive calibration algorithms and specialize them for finite CSGs. In our main technical result, we show that in CSGs, the principal can achieve utility that converges to the optimum Stackelberg value of the game both in _finite_ and _continuous_ settings and that no higher utility is achievable. Two prominent and immediate applications of our results are the settings of learning in Stackelberg Security Games and strategic classification, both against _calibrated_ agents.

An important problem in time-series analysis is modeling systems with time-varying dynamics. Probabilistic models with joint continuous and discrete latent states offer interpretable, efficient, and experimentally useful descriptions of such data. Commonly used models include autoregressive hidden Markov models (ARHMMs) and switching linear dynamical systems (SLDSs), each with its own advantages and disadvantages. ARHMMs permit exact inference and easy parameter estimation, but are parameter intensive when modeling long dependencies, and hence are prone to overfitting. In contrast, SLDSs can capture long-range dependencies in a parameter efficient way through Markovian latent dynamics, but present an intractable likelihood and a challenging parameter estimation task. In this paper, we propose _switching autoregressive low-rank tensor_ SALT models, which retain the advantages of both approaches while ameliorating the weaknesses. SALT parameterizes the tensor of an ARHMM with a low-rank factorization to control the number of parameters and allow longer range dependencies without overfitting. We prove theoretical and discuss practical connections between SALT, linear dynamical systems, and SLDSs. We empirically demonstrate quantitative advantages of SALT models on a range of simulated and real prediction tasks, including behavioral and neural datasets. Furthermore, the learned low-rank tensor provides novel insights into temporal dependencies within each discrete state.

Diffusion models have demonstrated highly-expressive generative capabilities in vision and NLP. Recent studies in reinforcement learning (RL) have shown that diffusion models are also powerful in modeling complex policies or trajectories in offline datasets. However, these works have been limited to single-task settings where a generalist agent capable of addressing multi-task predicaments is absent. In this paper, we aim to investigate the effectiveness of a single diffusion model in modeling large-scale multi-task offline data, which can be challenging due to diverse and multimodal data distribution. Specifically, we propose Multi-Task Diffusion Model (\textsc{MTDiff}), a diffusion-based method that incorporates Transformer backbones and prompt learning for generative planning and data synthesis in multi-task offline settings. \textsc{MTDiff} leverages vast amounts of knowledge available in multi-task data and performs implicit knowledge sharing among tasks. For generative planning, we find \textsc{MTDiff} outperforms state-of-the-art algorithms across 50 tasks on Meta-World and 8 maps on Maze2D. For data synthesis, \textsc{MTDiff} generates high-quality data for testing tasks given a single demonstration as a prompt, which enhances the low-quality datasets for even unseen tasks.

Forming accurate memory of sequential stimuli is a fundamental function of biological agents. However, the computational mechanism underlying sequential memory in the brain remains unclear. Inspired by neuroscience theories and recent successes in applying predictive coding (PC) to \emph{static} memory tasks, in this work we propose a novel PC-based model for \emph{sequential} memory, called \emph{temporal predictive coding} (tPC). We show that our tPC models can memorize and retrieve sequential inputs accurately with a biologically plausible neural implementation. Importantly, our analytical study reveals that tPC can be viewed as a classical Asymmetric Hopfield Network (AHN) with an implicit statistical whitening process, which leads to more stable performance in sequential memory tasks of structured inputs. Moreover, we find that tPC exhibits properties consistent with behavioral observations and theories in neuroscience, thereby strengthening its biological relevance. Our work establishes a possible computational mechanism underlying sequential memory in the brain that can also be theoretically interpreted using existing memory model frameworks.

Single image super-resolution (SISR) has made a significant breakthrough benefiting from the prevalent rise of deep neural networks and large-scale training samples. The mainstream deep SR models primarily focus on network architecture design as well as optimization schemes, while few pay attention to the training data. In fact, most of the existing SR methods train the model on uniformly sampled patch pairs from the whole image. However, the uneven image content makes the training data present an unbalanced distribution, i.e., the easily reconstructed region (smooth) occupies the majority of the data, while the hard reconstructed region (edge or texture) has rarely few samples. Based on this phenomenon, we consider rethinking the current paradigm of merely using uniform data sampling way for training SR models. In this paper, we propose a simple yet effective Bi-Sampling Parameter Attribution (BSPA) method for accurate image SR. Specifically, the bi-sampling consists of uniform sampling and inverse sampling, which is introduced to reconcile the unbalanced inherent data bias. The former aims to keep the intrinsic data distribution, and the latter is designed to enhance the feature extraction ability of the model on the hard samples. Moreover, integrated gradient is introduced to attribute the contribution of each parameter in the alternate models trained by both sampling data so as to filter the trivial parameters for further dynamic refinement. By progressively decoupling the allocation of parameters, the SR model can learn a more compact representation. Extensive experiments on publicly available datasets demonstrate that our proposal can effectively boost the performance of baseline methods from the data re-sampling view.

Black-box variational inference is widely used in situations where there is no proof that its stochastic optimization succeeds. We suggest this is due to a theoretical gap in existing stochastic optimization proofs—namely the challenge of gradient estimators with unusual noise bounds, and a composite non-smooth objective. For dense Gaussian variational families, we observe that existing gradient estimators based on reparameterization satisfy a quadratic noise bound and give novel convergence guarantees for proximal and projected stochastic gradient descent using this bound. This provides rigorous guarantees that methods similar to those used in practice converge on realistic inference problems.

Recent advances in machine learning have shown that Reinforcement Learning from Human Feedback (RLHF) can improve machine learning models and align them with human preferences. Although very successful for Large Language Models (LLMs), these advancements have not had a comparable impact in research for autonomous vehicles—where alignment with human expectations can be imperative. In this paper, we propose to adapt similar RL-based methods to unsupervised object discovery, i.e. learning to detect objects from LiDAR points without any training labels. Instead of labels, we use simple heuristics to mimic human feedback. More explicitly, we combine multiple heuristics into a simple reward function that positively correlates its score with bounding box accuracy, i.e., boxes containing objects are scored higher than those without. We start from the detector’s own predictions to explore the space and reinforce boxes with high rewards through gradient updates. Empirically, we demonstrate that our approach is not only more accurate, but also orders of magnitudes faster to train compared to prior works on object discovery. Code is available at https://github.com/katieluo88/DRIFT.

Diffusion Probabilistic Models (DPMs) have achieved considerable success in generation tasks. As sampling from DPMs is equivalent to solving diffusion SDE or ODE which is time-consuming, numerous fast sampling methods built upon improved differential equation solvers are proposed. The majority of such techniques consider solving the diffusion ODE due to its superior efficiency. However, stochastic sampling could offer additional advantages in generating diverse and high-quality data. In this work, we engage in a comprehensive analysis of stochastic sampling from two aspects: variance-controlled diffusion SDE and linear multi-step SDE solver. Based on our analysis, we propose SA-Solver, which is an improved efficient stochastic Adams method for solving diffusion SDE to generate data with high quality. Our experiments show that SA-Solver achieves: 1) improved or comparable performance compared with the existing state-of-the-art (SOTA) sampling methods for few-step sampling; 2) SOTA FID on substantial benchmark datasets under a suitable number of function evaluations (NFEs).

Text-to-image diffusion models show great potential in synthesizing a large variety of concepts in new compositions and scenarios. However, the latent space of initial seeds is still not well understood and its structure was shown to impact the generation of various concepts. Specifically, simple operations like interpolation and finding the centroid of a set of seeds perform poorly when using standard Euclidean or spherical metrics in the latent space. This paper makes the observation that, in current training procedures, diffusion models observed inputs with a narrow range of norm values. This has strong implications for methods that rely on seed manipulation for image generation, with applications to few-shot and long-tail learning tasks. To address this issue, we propose a novel method for interpolating between two seeds and demonstrate that it defines a new non-Euclidean metric that takes into account a norm-based prior on seeds. We describe a simple yet efficient algorithm for approximating this interpolation procedure and use it to further define centroids in the latent seed space. We show that our new interpolation and centroid techniques significantly enhance the generation of rare concept images. This further leads to state-of-the-art performance on few-shot and long-tail benchmarks, improving prior approaches in terms of generation speed, image quality, and semantic content.

In-context learning is a surprising and important phenomenon that emerged when modern language models were scaled to billions of learned parameters. Without modifying a large language model's weights, it can be tuned to perform various downstream natural language tasks simply by including concatenated training examples of these tasks in its input. Though disruptive for many practical applications of large language models, this emergent learning paradigm is not well understood from a theoretical perspective. In this paper, we propose a first-of-its-kind PAC based framework for in-context learnability, and use it to provide the first finite sample complexity results for the in-context learning setup. Our framework includes an initial pretraining phase, which fits a function to the pretraining distribution, and then a second in-context learning phase, which keeps this function constant and concatenates training examples of the downstream task in its input. We use our framework in order to prove that, under mild assumptions, when the pretraining distribution is a mixture of latent tasks (a model often considered for natural language pretraining), these tasks can be efficiently learned via in-context learning, even though the model's weights are unchanged and the input significantly diverges from the pretraining distribution. Our theoretical analysis reveals that in this setting, in-context learning is more about identifying the task than about learning it, a result which is in line with a series of recent empirical findings. We hope that the in-context learnability framework presented in this paper will facilitate future progress towards a deeper understanding of this important new learning paradigm.

Despite substantial advancements, Natural Language Processing (NLP) models often require post-training adjustments to enforce business rules, rectify undesired behavior, and align with user values. These adjustments involve operationalizing "concepts"—dictating desired model responses to certain inputs. However, it's difficult for a single entity to enumerate and define all possible concepts, indicating a need for a multi-user, collaborative model alignment framework. Moreover, the exhaustive delineation of a concept is challenging, and an improper approach can create shortcuts or interfere with original data or other concepts. To address these challenges, we introduce CoAlign, a framework that enables multi-user interaction with the model, thereby mitigating individual limitations. CoAlign aids users in operationalizing their concepts using Large Language Models, and relying on the principle that NLP models exhibit simpler behaviors in local regions. Our main insight is learning a \emph{local} model for each concept, and a \emph{global} model to integrate the original data with all concepts. We then steer a large language model to generate instances within concept boundaries where local and global disagree. Our experiments show CoAlign is effective at helping multiple users operationalize concepts and avoid interference for a variety of scenarios, tasks, and models.

We propose a scheme for auditing differentially private machine learning systems with a single training run. This exploits the parallelism of being able to add or remove multiple training examples independently. We analyze this using the connection between differential privacy and statistical generalization, which avoids the cost of group privacy. Our auditing scheme requires minimal assumptions about the algorithm and can be applied in the black-box or white-box setting. We demonstrate the effectiveness of our framework by applying it to DP-SGD, where we can achieve meaningful empirical privacy lower bounds by training only one model. In contrast, standard methods would require training hundreds of models.

Ensuring safety is important for the practical deployment of reinforcement learning (RL). Various challenges must be addressed, such as handling stochasticity in the environments, providing rigorous guarantees of persistent state-wise safety satisfaction, and avoiding overly conservative behaviors that sacrifice performance. We propose a new framework, Reachability Estimation for Safe Policy Optimization (RESPO), for safety-constrained RL in general stochastic settings. In the feasible set where there exist violation-free policies, we optimize for rewards while maintaining persistent safety. Outside this feasible set, our optimization produces the safest behavior by guaranteeing entrance into the feasible set whenever possible with the least cumulative discounted violations. We introduce a class of algorithms using our novel reachability estimation function to optimize in our proposed framework and in similar frameworks such as those concurrently handling multiple hard and soft constraints. We theoretically establish that our algorithms almost surely converge to locally optimal policies of our safe optimization framework. We evaluate the proposed methods on a diverse suite of safe RL environments from Safety Gym, PyBullet, and MuJoCo, and show the benefits in improving both reward performance and safety compared with state-of-the-art baselines.

Global Routing (GR) is a core yet time-consuming task in VLSI systems. It recently attracted efforts from the machine learning community, especially generative models, but they suffer from the non-connectivity of generated routes. We argue that the inherent non-connectivity can harm the advantage of its one-shot generation and has to be post-processed by traditional approaches. Thus, we propose a novel definition, called hub, which represents the key point in the route. Equipped with hubs, global routing is transferred from a pin-pin connection problem to a hub-pin connection problem. Specifically, to generate definitely-connected routes, this paper proposes a two-phase learning scheme named HubRouter, which includes 1) hub-generation phase: A condition-guided hub generator using deep generative models; 2) pin-hub-connection phase: An RSMT construction module that connects the hubs and pins using an actor-critic model. In the first phase, we incorporate typical generative models into a multi-task learning framework to perform hub generation and address the impact of sensitive noise points with stripe mask learning. During the second phase, HubRouter employs an actor-critic model to finish the routing, which is efficient and has very slight errors. Experiments on simulated and real-world global routing benchmarks are performed to show our approach's efficiency, particularly HubRouter outperforms the state-of-the-art generative global routing methods in wirelength, overflow, and running time. Moreover, HubRouter also shows strength in other applications, such as RSMT construction and interactive path replanning.

A vital and rapidly growing application, remote sensing offers vast yet sparsely labeled, spatially aligned multimodal data; this makes self-supervised learning algorithms invaluable. We present CROMA: a framework that combines contrastive and reconstruction self-supervised objectives to learn rich unimodal and multimodal representations. Our method separately encodes masked-out multispectral optical and synthetic aperture radar samples—aligned in space and time—and performs cross-modal contrastive learning. Another encoder fuses these sensors, producing joint multimodal encodings that are used to predict the masked patches via a lightweight decoder. We show that these objectives are complementary when leveraged on spatially aligned multimodal data. We also introduce X- and 2D-ALiBi, which spatially biases our cross- and self-attention matrices. These strategies improve representations and allow our models to effectively extrapolate to images up to $17.6\times$ larger at test-time. CROMA outperforms the current SoTA multispectral model, evaluated on: four classification benchmarks—finetuning (avg.$\uparrow$ 1.8%), linear (avg.$\uparrow$ 2.4%) and nonlinear (avg.$\uparrow$ 1.4%) probing, $k$NN classification (avg.$\uparrow$ 3.5%), and $K$-means clustering (avg.$\uparrow$ 8.4%); and three segmentation benchmarks (avg.$\uparrow$ 6.4%). CROMA’s rich, optionally multimodal representations can be widely leveraged across remote sensing applications.

Despite recent progress in reinforcement learning (RL) from raw pixel data, sample inefficiency continues to present a substantial obstacle. Prior works have attempted to address this challenge by creating self-supervised auxiliary tasks, aiming to enrich the agent's learned representations with control-relevant information for future state prediction. However, these objectives are often insufficient to learn representations that can represent the optimal policy or value function, and they often consider tasks with small, abstract discrete action spaces and thus overlook the importance of action representation learning in continuous control. In this paper, we introduce $\texttt{TACO}$: $\textbf{T}$emporal $\textbf{A}$ction-driven $\textbf{CO}$ntrastive Learning, a simple yet powerful temporal contrastive learning approach that facilitates the concurrent acquisition of latent state and action representations for agents. $\texttt{TACO}$ simultaneously learns a state and an action representation by optimizing the mutual information between representations of current states paired with action sequences and representations of the corresponding future states. Theoretically, $\texttt{TACO}$ can be shown to learn state and action representations that encompass sufficient information for control, thereby improving sample efficiency. For online RL, $\texttt{TACO}$ achieves 40% performance boost after one million environment interaction steps on average across nine challenging visual continuous control tasks from Deepmind Control Suite. In addition, we show that $\texttt{TACO}$ can also serve as a plug-and-play module adding to existing offline visual RL methods to establish the new state-of-the-art performance for offline visual RL across offline datasets with varying quality.

We propose and deploy an approach to continually train an instruction-following agent from feedback provided by users during collaborative interactions. During interaction, human users instruct an agent using natural language, and provide realtime binary feedback as they observe the agent following their instructions. We design a contextual bandit learning approach, converting user feedback to immediate reward. We evaluate through thousands of human-agent interactions, demonstrating 15.4% absolute improvement in instruction execution accuracy over time. We also show our approach is robust to several design variations, and that the feedback signal is roughly equivalent to the learning signal of supervised demonstration data.

We develop and analyze a general technique for learning with an unknown distribution drift. Given a sequence of independent observations from the last $T$ steps of a drifting distribution, our algorithm agnostically learns a family of functions with respect to the current distribution at time $T$. Unlike previous work, our technique does not require prior knowledge about the magnitude of the drift. Instead, the algorithm adapts to the sample data. Without explicitly estimating the drift, the algorithm learns a family of functions with almost the same error as a learning algorithm that knows the magnitude of the drift in advance. Furthermore, since our algorithm adapts to the data, it can guarantee a better learning error than an algorithm that relies on loose bounds on the drift. We demonstrate the application of our technique in two fundamental learning scenarios: binary classification and linear regression.