NeurIPS 2023 论文列表

Real-world data usually confronts severe class-imbalance problems, where several majority classes have a significantly larger presence in the training set than minority classes. One effective solution is using mixup-based methods to generate synthetic samples to enhance the presence of minority classes. Previous approaches mix the background images from the majority classes and foreground images from the minority classes in a random manner, which ignores the sample-level semantic similarity, possibly resulting in less reasonable or less useful images. In this work, we propose an adaptive image-mixing method based on optimal transport (OT) to incorporate both class-level and sample-level information, which is able to generate semantically reasonable and meaningful mixed images for minority classes. Due to its flexibility, our method can be combined with existing long-tailed classification methods to enhance their performance and it can also serve as a general data augmentation method for balanced datasets. Extensive experiments indicate that our method achieves effective performance for long-tailed classification tasks. The code is available at https://github.com/JintongGao/Enhancing-Minority-Classes-by-Mixing.

Federated or multi-site studies have distinct advantages over single-site studies, including increased generalizability, the ability to study underrepresented populations, and the opportunity to study rare exposures and outcomes. However, these studies are complicated by the need to preserve the privacy of each individual's data, heterogeneity in their covariate distributions, and different data structures between sites. We propose a novel federated approach to derive valid causal inferences for a target population using multi-site data. We adjust for covariate shift and accommodate covariate mismatch between sites by developing a multiply-robust and privacy-preserving nuisance function estimation approach. Our methodology incorporates transfer learning to estimate ensemble weights to combine information from source sites. We show that these learned weights are efficient and optimal under different scenarios. We showcase the finite sample advantages of our approach in terms of efficiency and robustness compared to existing state-of-the-art approaches. We apply our approach to study the treatment effect of percutaneous coronary intervention (PCI) on the duration of hospitalization for patients experiencing acute myocardial infarction (AMI) with data from the Centers for Medicare \& Medicaid Services (CMS).

Agents capable of carrying out general tasks on a computer can improve efficiency and productivity by automating repetitive tasks and assisting in complex problem-solving. Ideally, such agents should be able to solve new computer tasks presented to them through natural language commands. However, previous approaches to this problem require large amounts of expert demonstrations and task-specific reward functions, both of which are impractical for new tasks. In this work, we show that a pre-trained large language model (LLM) agent can execute computer tasks guided by natural language using a simple prompting scheme where the agent \textbf{R}ecursively \textbf{C}riticizes and \textbf{I}mproves its output (RCI). The RCI approach significantly outperforms existing LLM methods for automating computer tasks and surpasses supervised learning (SL) and reinforcement learning (RL) approaches on the MiniWoB++ benchmark. We compare multiple LLMs and find that RCI with the InstructGPT-3+RLHF LLM is state-of-the-art on MiniWoB++, using only a handful of demonstrations per task rather than tens of thousands, and without a task-specific reward function. Furthermore, we demonstrate RCI prompting's effectiveness in enhancing LLMs' reasoning abilities on a suite of natural language reasoning tasks, outperforming chain of thought (CoT) prompting with external feedback. We find that RCI combined with CoT performs better than either separately. Our code can be found here: https://github.com/posgnu/rci-agent.

Fairness and robustness are two important goals in the design of modern distributed learning systems. Despite a few prior works attempting to achieve both fairness and robustness, some key aspects of this direction remain underexplored. In this paper, we try to answer three largely unnoticed and unaddressed questions that are of paramount significance to this topic: (i) What makes jointly satisfying fairness and robustness difficult? (ii) Is it possible to establish theoretical guarantee for the dual property of fairness and robustness? (iii) How much does fairness have to sacrifice at the expense of robustness being incorporated into the system? To address these questions, we first identify data heterogeneity as the key difficulty of combining fairness and robustness. Accordingly, we propose a fair and robust framework called H-nobs which can offer certified fairness and robustness through the adoption of two key components, a fairness-promoting objective function and a simple robust aggregation scheme called norm-based screening (NBS). We explain in detail why NBS is the suitable scheme in our algorithm in contrast to other robust aggregation measures. In addition, we derive three convergence theorems for H-nobs in cases of the learning model being nonconvex, convex, and strongly convex respectively, which provide theoretical guarantees for both fairness and robustness. Further, we empirically investigate the influence of the robust mechanism (NBS) on the fairness performance of H-nobs, the very first attempt of such exploration.

Several recent works demonstrate that transformers can implement algorithms like gradient descent. By a careful construction of weights, these works show that multiple layers of transformers are expressive enough to simulate iterations of gradient descent. Going beyond the question of expressivity, we ask: \emph{Can transformers learn to implement such algorithms by training over random problem instances?} To our knowledge, we make the first theoretical progress on this question via an analysis of the loss landscape for linear transformers trained over random instances of linear regression. For a single attention layer, we prove the global minimum of the training objective implements a single iteration of preconditioned gradient descent. Notably, the preconditioning matrix not only adapts to the input distribution but also to the variance induced by data inadequacy. For a transformer with $L$ attention layers, we prove certain critical points of the training objective implement $L$ iterations of preconditioned gradient descent. Our results call for future theoretical studies on learning algorithms by training transformers.

Representations learned by pre-training a neural network on a large dataset are increasingly used successfully to perform a variety of downstream tasks. In this work, we take a closer look at how features are encoded in such pre-trained representations. We find that learned representations in a given layer exhibit a degree of diffuse redundancy, ie, any randomly chosen subset of neurons in the layer that is larger than a threshold size shares a large degree of similarity with the full layer and is able to perform similarly as the whole layer on a variety of downstream tasks. For example, a linear probe trained on $20\%$ of randomly picked neurons from the penultimate layer of a ResNet50 pre-trained on ImageNet1k achieves an accuracy within $5\%$ of a linear probe trained on the full layer of neurons for downstream CIFAR10 classification. We conduct experiments on different neural architectures (including CNNs and Transformers) pre-trained on both ImageNet1k and ImageNet21k and evaluate a variety of downstream tasks taken from the VTAB benchmark. We find that the loss \& dataset used during pre-training largely govern the degree of diffuse redundancy and the "critical mass" of neurons needed often depends on the downstream task, suggesting that there is a task-inherent redundancy-performance Pareto frontier. Our findings shed light on the nature of representations learned by pre-trained deep neural networks and suggest that entire layers might not be necessary to perform many downstream tasks. We investigate the potential for exploiting this redundancy to achieve efficient generalization for downstream tasks and also draw caution to certain possible unintended consequences. Our code is available at \url{https://github.com/nvedant07/diffused-redundancy}.

Most neural networks assume that input images have a fixed number of channels (three for RGB images). However, there are many settings where the number of channels may vary, such as microscopy images where the number of channels changes depending on instruments and experimental goals. Yet, there has not been a systemic attempt to create and evaluate neural networks that are invariant to the number and type of channels. As a result, trained models remain specific to individual studies and are hardly reusable for other microscopy settings. In this paper, we present a benchmark for investigating channel-adaptive models in microscopy imaging, which consists of 1) a dataset of varied-channel single-cell images, and 2) a biologically relevant evaluation framework. In addition, we adapted several existing techniques to create channel-adaptive models and compared their performance on this benchmark to fixed-channel, baseline models. We find that channel-adaptive models can generalize better to out-of-domain tasks and can be computationally efficient. We contribute a curated dataset and an evaluation API to facilitate objective comparisons in future research and applications.

Neural Temporal Point Processes (TPPs) are the prevalent paradigm for modeling continuous-time event sequences, such as user activities on the web and financial transactions. In real world applications, the event data typically comes in a streaming manner, where the distribution of the patterns may shift over time. Under the privacy and memory constraints commonly seen in real scenarios, how to continuously monitor a TPP to learn the streaming event sequence is an important yet under-investigated problem. In this work, we approach this problem by adopting Continual Learning (CL), which aims to enable a model to continuously learn a sequence of tasks without catastrophic forgetting. While CL for event sequence is less well studied, we present a simple yet effective framework, PromptTPP, by integrating the base TPP with a continuous-time retrieval prompt pool. In our proposed framework, prompts are small learnable parameters, maintained in a memory space and jointly optimized with the base TPP so that the model is properly instructed to learn event streams arriving sequentially without buffering past examples or task-specific attributes. We formalize a novel and realistic experimental setup for modeling event streams, where PromptTPP consistently sets state-of-the-art performance across two real user behavior datasets.

We present new insights and a novel paradigm for learning implicit neural representations (INR) of shapes. In particular, we shed light on the popular eikonal loss used for imposing a signed distance function constraint in INR. We show analytically that as the representation power of the network increases, the optimization approaches a partial differential equation (PDE) in the continuum limit that is unstable. We show that this instability can manifest in existing network optimization, leading to irregularities in the reconstructed surface and/or convergence to sub-optimal local minima, and thus fails to capture fine geometric and topological structure. We show analytically how other terms added to the loss, currently used in the literature for other purposes, can actually eliminate these instabilities. However, such terms can over-regularize the surface, preventing the representation of fine shape detail. Based on a similar PDE theory for the continuum limit, we introduce a new regularization term that still counteracts the eikonal instability but without over-regularizing. Furthermore, since stability is now guaranteed in the continuum limit, this stabilization also allows for considering new network structures that are able to represent finer shape detail. We introduce such a structure based on quadratic layers. Experiments on multiple benchmark data sets show that our new regularization and network are able to capture more precise shape details and more accurate topology than existing state-of-the-art.

Leveraging the compositional nature of our world to expedite learning and facilitate generalization is a hallmark of human perception. In machine learning, on the other hand, achieving compositional generalization has proven to be an elusive goal, even for models with explicit compositional priors. To get a better handle on compositional generalization, we here approach it from the bottom up: Inspired by identifiable representation learning, we investigate compositionality as a property of the data-generating process rather than the data itself. This reformulation enables us to derive mild conditions on only the support of the training distribution and the model architecture, which are sufficient for compositional generalization. We further demonstrate how our theoretical framework applies to real-world scenarios and validate our findings empirically. Our results set the stage for a principled theoretical study of compositional generalization.

A prominent goal of representation learning research is to achieve representations which are factorized in a useful manner with respect to the ground truth factors of variation. The fields of disentangled and equivariant representation learning have approached this ideal from a range of complimentary perspectives; however, to date, most approaches have proven to either be ill-specified or insufficiently flexible to effectively separate all realistic factors of interest in a learned latent space. In this work, we propose an alternative viewpoint on such structured representation learning which we call Flow Factorized Representation Learning, and demonstrate it to learn both more efficient and more usefully structured representations than existing frameworks. Specifically, we introduce a generative model which specifies a distinct set of latent probability paths that define different input transformations. Each latent flow is generated by the gradient field of a learned potential following dynamic optimal transport. Our novel setup brings new understandings to both \textit{disentanglement} and \textit{equivariance}. We show that our model achieves higher likelihoods on standard representation learning benchmarks while simultaneously being closer to approximately equivariant models. Furthermore, we demonstrate that the transformations learned by our model are flexibly composable and can also extrapolate to new data, implying a degree of robustness and generalizability approaching the ultimate goal of usefully factorized representation learning.

Dosing models often use differential equations to model biological dynamics. Neural differential equations in particular can learn to predict the derivative of a process, which permits predictions at irregular points of time. However, this temporal flexibility often comes with a high sensitivity to noise, whereas medical problems often present high noise and limited data. Moreover, medical dosing models must generalize reliably over individual patients and changing treatment policies. To address these challenges, we introduce the Neural Eigen Stochastic Differential Equation algorithm (NESDE). NESDE provides individualized modeling (using a hypernetwork over patient-level parameters); generalization to new treatment policies (using decoupled control); tunable expressiveness according to the noise level (using piecewise linearity); and fast, continuous, closed-form prediction (using spectral representation). We demonstrate the robustness of NESDE in both synthetic and real medical problems, and use the learned dynamics to publish simulated medical gym environments.

We aim to deepen the theoretical understanding of Graph Neural Networks (GNNs) on large graphs, with a focus on their expressive power. Existing analyses relate this notion to the graph isomorphism problem, which is mostly relevant for graphs of small sizes, or studied graph classification or regression tasks, while prediction tasks on \emph{nodes} are far more relevant on large graphs. Recently, several works showed that, on very general random graphs models, GNNs converge to certains functions as the number of nodes grows. In this paper, we provide a more complete and intuitive description of the function space generated by equivariant GNNs for node-tasks, through general notions of convergence that encompass several previous examples. We emphasize the role of input node features, and study the impact of \emph{node Positional Encodings} (PEs), a recent line of work that has been shown to yield state-of-the-art results in practice. Through the study of several examples of PEs on large random graphs, we extend previously known universality results to significantly more general models. Our theoretical results hint at some normalization tricks, which is shown numerically to have a positive impact on GNN generalization on synthetic and real data. Our proofs contain new concentration inequalities of independent interest.

Non-autoregressive Transformer(NAT) significantly accelerates the inference of neural machine translation. However, conventional NAT models suffer from limited expression power and performance degradation compared to autoregressive (AT) models due to the assumption of conditional independence among target tokens. To address these limitations, we propose a novel approach called PCFG-NAT, which leverages a specially designed Probabilistic Context-Free Grammar (PCFG) to enhance the ability of NAT models to capture complex dependencies among output tokens. Experimental results on major machine translation benchmarks demonstrate that PCFG-NAT further narrows the gap in translation quality between NAT and AT models. Moreover, PCFG-NAT facilitates a deeper understanding of the generated sentences, addressing the lack of satisfactory explainability in neural machine translation. Code is publicly available at https://github.com/ictnlp/PCFG-NAT.

Label noise widely exists in large-scale image datasets. To mitigate the side effects of label noise, state-of-the-art methods focus on selecting confident examples by leveraging semi-supervised learning. Existing research shows that the ability to extract hard confident examples, which are close to the decision boundary, significantly influences the generalization ability of the learned classifier. In this paper, we find that a key reason for some hard examples being close to the decision boundary is due to the entanglement of style factors with content factors. The hard examples become more discriminative when we focus solely on content factors, such as semantic information, while ignoring style factors. Nonetheless, given only noisy data, content factors are not directly observed and have to be inferred. To tackle the problem of inferring content factors for classification when learning with noisy labels, our objective is to ensure that the content factors of all examples in the same underlying clean class remain unchanged as their style information changes. To achieve this, we utilize different data augmentation techniques to alter the styles while regularizing content factors based on some confident examples. By training existing methods with our inferred content factors, CS-Isolate proves their effectiveness in learning hard examples on benchmark datasets. The implementation is available at https://github.com/tmllab/2023_NeurIPS_CS-isolate.

The $K$-armed dueling bandits problem, where the feedback is in the form of noisy pairwise preferences, has been widely studied due its applications in information retrieval, recommendation systems, etc. Motivated by concerns that user preferences/tastes can evolve over time, we consider the problem of _dueling bandits with distribution shifts_. Specifically, we study the recent notion of _significant shifts_ (Suk and Kpotufe, 2022), and ask whether one can design an _adaptive_ algorithm for the dueling problem with $O(\sqrt{K\tilde{L}T})$ dynamic regret, where $\tilde{L}$ is the (unknown) number of significant shifts in preferences. We show that the answer to this question depends on the properties of underlying preference distributions. Firstly, we give an impossibility result that rules out any algorithm with $O(\sqrt{K\tilde{L}T})$ dynamic regret under the well-studied Condorcet and SST classes of preference distributions. Secondly, we show that $\text{SST}\cap \text{STI}$ is the largest amongst popular classes of preference distributions where it is possible to design such an algorithm. Overall, our results provides an almost complete resolution of the above question for the hierarchy of distribution classes.

One of the main challenges in offline Reinforcement Learning (RL) is the distribution shift that arises from the learned policy deviating from the data collection policy. This is often addressed by avoiding out-of-distribution (OOD) actions during policy improvement as their presence can lead to substantial performance degradation. This challenge is amplified in the offline Multi-Agent RL (MARL) setting since the joint action space grows exponentially with the number of agents. To avoid this curse of dimensionality, existing MARL methods adopt either value decomposition methods or fully decentralized training of individual agents. However, even when combined with standard conservatism principles, these methods can still result in the selection of OOD joint actions in offline MARL. To this end, we introduce AlberDICE, an offline MARL algorithm that alternatively performs centralized training of individual agents based on stationary distribution optimization. AlberDICE circumvents the exponential complexity of MARL by computing the best response of one agent at a time while effectively avoiding OOD joint action selection. Theoretically, we show that the alternating optimization procedure converges to Nash policies. In the experiments, we demonstrate that AlberDICE significantly outperforms baseline algorithms on a standard suite of MARL benchmarks.

We introduce Markov Neural Processes (MNPs), a new class of Stochastic Processes (SPs) which are constructed by stacking sequences of neural parameterised Markov transition operators in function space. We prove that these Markov transition operators can preserve the exchangeability and consistency of SPs. Therefore, the proposed iterative construction adds substantial flexibility and expressivity to the original framework of Neural Processes (NPs) without compromising consistency or adding restrictions. Our experiments demonstrate clear advantages of MNPs over baseline models on a variety of tasks.

Exploration is one of the main challenges in Reinforcement Learning (RL), especially in environments with sparse rewards. Learning from Demonstrations (LfD) is a promising approach to solving this problem by leveraging expert demonstrations. However, expert demonstrations of high quality are usually costly or even impossible to collect in real-world applications. In this work, we propose a novel RL algorithm called HYbrid Policy Optimization (HYPO), which uses a small number of imperfect demonstrations to accelerate an agent's online learning process. The key idea is to train an offline guider policy using imitation learning in order to instruct an online agent policy to explore efficiently. Through mutual update of the guider policy and the agent policy, the agent can leverage suboptimal demonstrations for efficient exploration while avoiding the conservative policy caused by imperfect demonstrations. Empirical results show that HYPO significantly outperforms several baselines in various challenging tasks, such as MuJoCo with sparse rewards, Google Research Football, and the AirSim drone simulation.