NeurIPS 2023 Papers

We consider a collaborative learning setting where the goal of each agent is to improve their own model by leveraging the expertise of collaborators, in addition to their own training data. To facilitate the exchange of expertise among agents, we propose a distillation-based method leveraging shared unlabeled auxiliary data, which is pseudo-labeled by the collective. Central to our method is a trust weighting scheme that serves to adaptively weigh the influence of each collaborator on the pseudo-labels until a consensus on how to label the auxiliary data is reached. We demonstrate empirically that our collaboration scheme is able to significantly boost individual models’ performance in the target domain from which the auxiliary data is sampled. At the same time, it can provably mitigate the negative impact of bad models on the collective. By design, our method adeptly accommodates heterogeneity in model architectures and substantially reduces communication overhead compared to typical collaborative learning methods.

Graph convolutional networks (GCN) with one or two hidden layers have been widely used in handling graph data that are prevalent in various disciplines. Many studies showed that the gain of making GCNs deeper is tiny or even negative. This implies that the complexity of graph data is often limited and shallow models are often sufficient to extract expressive features for various tasks such as node classification. Therefore, in this work, we present a framework called graph convolutional kernel machine (GCKM) for graph-based machine learning. GCKMs are built upon kernel functions integrated with graph convolution. An example is the graph convolutional kernel support vector machine (GCKSVM) for node classification, for which we analyze the generalization error bound and discuss the impact of the graph structure. Compared to GCNs, GCKMs require much less effort in architecture design, hyperparameter tuning, and optimization. More importantly, GCKMs are guaranteed to obtain globally optimal solutions and have strong generalization ability and high interpretability. GCKMs are composable, can be extended to large-scale data, and are applicable to various tasks (e.g., node or graph classification, clustering, feature extraction, dimensionality reduction). The numerical results on benchmark datasets show that, besides the aforementioned advantages, GCKMs have at least competitive accuracy compared to GCNs.

Minimally-invasive surgery (MIS) and robot-assisted minimally invasive (RAMIS) surgery offer well-documented benefits to patients such as reduced post-operative pain and shorter hospital stays. However, the automation of MIS and RAMIS through the use of AI has been slow due to difficulties in data acquisition and curation, partially caused by the ethical considerations of training, testing and deploying AI models in medical environments. We introduce \texttt{SARAMIS}, the first large-scale dataset of anatomically derived 3D rendering assets of the human abdominal anatomy. Using previously existing, open-source CT datasets of the human anatomy, we derive novel 3D meshes, tetrahedral volumes, textures and diffuse maps for over 104 different anatomical targets in the human body, representing the largest, open-source dataset of 3D rendering assets for synthetic simulation of vision tasks in MIS+RAMIS, increasing the availability of openly available 3D meshes in the literature by three orders of magnitude. We supplement our dataset with a series of GPU-enabled rendering environments, which can be used to generate datasets for realistic MIS/RAMIS tasks. Finally, we present an example of the use of \texttt{SARAMIS} assets for an autonomous navigation task in colonoscopy from CT abdomen-pelvis scans for the first time in the literature. \texttt{SARAMIS} is publically made available at https://github.com/NMontanaBrown/saramis/, with assets released under a CC-BY-NC-SA license.

This paper addresses the problem of nearly optimal Vapnik--Chervonenkis dimension (VC-dimension) and pseudo-dimension estimations of the derivative functions of deep neural networks (DNNs). Two important applications of these estimations include: 1) Establishing a nearly tight approximation result of DNNs in the Sobolev space; 2) Characterizing the generalization error of machine learning methods with loss functions involving function derivatives. This theoretical investigation fills the gap of learning error estimations for a wide range of physics-informed machine learning models and applications including generative models, solving partial differential equations, operator learning, network compression, distillation, regularization, etc.

Music datasets play a crucial role in advancing research in machine learning for music. However, existing music datasets suffer from limited size, accessibility, and lack of audio resources. To address these shortcomings, we present DISCO-10M, a novel and extensive music dataset that surpasses the largest previously available music dataset by an order of magnitude. To ensure high-quality data, we implement a multi-stage filtering process. This process incorporates similarities based on textual descriptions and audio embeddings. Moreover, we provide precomputed CLAP embeddings alongside DISCO-10M, facilitating direct application on various downstream tasks. These embeddings enable efficient exploration of machine learning applications on the provided data. With DISCO-10M, we aim to democratize and facilitate new research to help advance the development of novel machine learning models for music: https://huggingface.co/DISCOX

In this paper, we introduce a novel MCMC sampler, PARNI-DAG, for a fully-Bayesian approach to the problem of structure learning under observational data. Under the assumption of causal sufficiency, the algorithm allows for approximate sampling directly from the posterior distribution on Directed Acyclic Graphs (DAGs). PARNI-DAG performs efficient sampling of DAGs via locally informed, adaptive random neighborhood proposal that results in better mixing properties. In addition, to ensure better scalability with the number of nodes, we couple PARNI-DAG with a pre-tuning procedure of the sampler's parameters that exploits a skeleton graph derived through some constraint-based or scoring-based algorithms. Thanks to these novel features, PARNI-DAG quickly converges to high-probability regions and is less likely to get stuck in local modes in the presence of high correlation between nodes in high-dimensional settings. After introducing the technical novelties in PARNI-DAG, we empirically demonstrate its mixing efficiency and accuracy in learning DAG structures on a variety of experiments.

Graph-level anomaly detection (GLAD) aims to identify graphs that exhibit notable dissimilarity compared to the majority in a collection. However, current works primarily focus on evaluating graph-level abnormality while failing to provide meaningful explanations for the predictions, which largely limits their reliability and application scope. In this paper, we investigate a new challenging problem, explainable GLAD, where the learning objective is to predict the abnormality of each graph sample with corresponding explanations, i.e., the vital subgraph that leads to the predictions. To address this challenging problem, we propose a Self-Interpretable Graph aNomaly dETection model (SIGNET for short) that detects anomalous graphs as well as generates informative explanations simultaneously. Specifically, we first introduce the multi-view subgraph information bottleneck (MSIB) framework, serving as the design basis of our self-interpretable GLAD approach. This way SIGNET is able to not only measure the abnormality of each graph based on cross-view mutual information but also provide informative graph rationales by extracting bottleneck subgraphs from the input graph and its dual hypergraph in a self-supervised way. Extensive experiments on 16 datasets demonstrate the anomaly detection capability and self-interpretability of SIGNET.

The key to OOD detection has two aspects: generalized feature representation and precise category description. Recently, vision-language models such as CLIP provide significant advances in both two issues, but constructing precise category descriptions is still in its infancy due to the absence of unseen categories. This work introduces two hierarchical contexts, namely perceptual context and spurious context, to carefully describe the precise category boundary through automatic prompt tuning. Specifically, perceptual contexts perceive the inter-category difference (e.g., cats vs apples) for current classification tasks, while spurious contexts further identify spurious (similar but exactly not) OOD samples for every single category (e.g., cats vs panthers, apples vs peaches). The two contexts hierarchically construct the precise description for a certain category, which is, first roughly classifying a sample to the predicted category and then delicately identifying whether it is truly an ID sample or actually OOD. Moreover, the precise descriptions for those categories within the vision-language framework present a novel application: CATegory-EXtensible OOD detection (CATEX). One can efficiently extend the set of recognizable categories by simply merging the hierarchical contexts learned under different sub-task settings. And extensive experiments are conducted to demonstrate CATEX’s effectiveness, robustness, and category-extensibility. For instance, CATEX consistently surpasses the rivals by a large margin with several protocols on the challenging ImageNet-1K dataset. In addition, we offer new insights on how to efficiently scale up the prompt engineering in vision-language models to recognize thousands of object categories, as well as how to incorporate large language models (like GPT-3) to boost zero-shot applications.

The aim of this paper is the reconstruction of a smooth surface from an unorganized point cloud sampled by a closed surface, with the preservation of geometric shapes, without any further information other than the point cloud. Implicit neural representations (INRs) have recently emerged as a promising approach to surface reconstruction. However, the reconstruction quality of existing methods relies on ground truth implicit function values or surface normal vectors. In this paper, we show that proper supervision of partial differential equations and fundamental properties of differential vector fields are sufficient to robustly reconstruct high-quality surfaces. We cast the $p$-Poisson equation to learn a signed distance function (SDF) and the reconstructed surface is implicitly represented by the zero-level set of the SDF. For efficient training, we develop a variable splitting structure by introducing a gradient of the SDF as an auxiliary variable and impose the $p$-Poisson equation directly on the auxiliary variable as a hard constraint. Based on the curl-free property of the gradient field, we impose a curl-free constraint on the auxiliary variable, which leads to a more faithful reconstruction. Experiments on standard benchmark datasets show that the proposed INR provides a superior and robust reconstruction. The code is available at https://github.com/Yebbi/PINC.

We establish conditions under which latent causal graphs are nonparametrically identifiable and can be reconstructed from unknown interventions in the latent space. Our primary focus is the identification of the latent structure in measurement models without parametric assumptions such as linearity or Gaussianity. Moreover, we do not assume the number of hidden variables is known, and we show that at most one unknown intervention per hidden variable is needed. This extends a recent line of work on learning causal representations from observations and interventions. The proofs are constructive and introduce two new graphical concepts---_imaginary subsets_ and _isolated edges_---that may be useful in their own right. As a matter of independent interest, the proofs also involve a novel characterization of the limits of edge orientations within the equivalence class of DAGs induced by _unknown_ interventions. These are the first results to characterize the conditions under which causal representations are identifiable without making any parametric assumptions in a general setting with unknown interventions and without faithfulness.

This paper investigates posterior sampling algorithms for competitive reinforcement learning (RL) in the context of general function approximations. Focusing on zero-sum Markov games (MGs) under two critical settings, namely self-play and adversarial learning, we first propose the self-play and adversarial generalized eluder coefficient (GEC) as complexity measures for function approximation, capturing the exploration-exploitation trade-off in MGs. Based on self-play GEC, we propose a model-based self-play posterior sampling method to control both players to learn Nash equilibrium, which can successfully handle the partial observability of states. Furthermore, we identify a set of partially observable MG models fitting MG learning with the adversarial policies of the opponent. Incorporating the adversarial GEC, we propose a model-based posterior sampling method for learning adversarial MG with potential partial observability. We further provide low regret bounds for proposed algorithms that can scale sublinearly with the proposed GEC and the number of episodes $T$. To the best of our knowledge, we for the first time develop generic model-based posterior sampling algorithms for competitive RL that can be applied to a majority of tractable zero-sum MG classes in both fully observable and partially observable MGs with self-play and adversarial learning.

Federated Learning (FL) is a distributed machine learning paradigm that allows multiple clients to train a global model collaboratively without sharing their local training data. Due to its distributed nature, many studies have shown that it is vulnerable to backdoor attacks. However, existing studies usually used a predetermined, fixed backdoor trigger or optimized it based solely on the local data and model without considering the global training dynamics. This leads to sub-optimal and less durable attack effectiveness, i.e., their attack success rate is low when the attack budget is limited and decreases quickly if the attacker can no longer perform attacks anymore. To address these limitations, we propose A3FL, a new backdoor attack which adversarially adapts the backdoor trigger to make it less likely to be removed by the global training dynamics. Our key intuition is that the difference between the global model and the local model in FL makes the local-optimized trigger much less effective when transferred to the global model. We solve this by optimizing the trigger to even survive the worst-case scenario where the global model was trained to directly unlearn the trigger. Extensive experiments on benchmark datasets are conducted for twelve existing defenses to comprehensively evaluate the effectiveness of our A3FL. Our code is available at https://github.com/hfzhang31/A3FL.

Do neural networks, trained on well-understood algorithmic tasks, reliably rediscover known algorithms? Several recent studies, on tasks ranging from group operations to in-context linear regression, have suggested that the answer is yes. Using modular addition as a prototypical problem, we show that algorithm discovery in neural networks is sometimes more complex: small changes to model hyperparameters and initializations can induce discovery of qualitatively different algorithms from a fixed training set, and even learning of multiple different solutions in parallel. In modular addition, we specifically show that models learn a known *Clock* algorithm, a previously undescribed, less intuitive, but comprehensible procedure we term the *Pizza* algorithm, and a variety of even more complex procedures. Our results show that even simple learning problems can admit a surprising diversity of solutions, motivating the development of new tools for mechanistically characterizing the behavior of neural networks across the algorithmic phase space.

Efficient transfer learning algorithms are key to the success of foundation models on diverse downstream tasks even with limited data. Recent works of Basu et al. (2023) and Kaba et al. (2022) propose group averaging (equitune) and optimization-based methods, respectively, over features from group-transformed inputs to obtain equivariant outputs from non-equivariant neural networks. While Kaba et al. (2022) are only concerned with training from scratch, we find that equitune performs poorly on equivariant zero-shot tasks despite good finetuning results. We hypothesize that this is because pretrained models provide better quality features for certain transformations than others and simply averaging them is deleterious. Hence, we propose λ-equitune that averages the features using importance weights, λs. These weights are learned directly from the data using a small neural network, leading to excellent zero-shot and finetuned results that outperform equitune. Further, we prove that λ-equitune is equivariant and a universal approximator of equivariant functions. Additionally, we show that the method of Kaba et al. (2022) used with appropriate loss functions, which we call equizero, also gives excellent zero-shot and finetuned performance. Both equitune and equizero are special cases of λ- equitune. To show the simplicity and generality of our method, we validate on a wide range of diverse applications and models such as 1) image classification using CLIP, 2) deep Q-learning, 3) fairness in natural language generation (NLG), 4) compositional generalization in languages, and 5) image classification using pretrained CNNs such as Resnet and Alexnet.

While distributional reinforcement learning (DistRL) has been empirically effective, the question of when and why it is better than vanilla, non-distributional RL has remained unanswered. This paper explains the benefits of DistRL through the lens of small-loss bounds, which are instance-dependent bounds that scale with optimal achievable cost. Particularly, our bounds converge much faster than those from non-distributional approaches if the optimal cost is small. As warmup, we propose a distributional contextual bandit (DistCB) algorithm, which we show enjoys small-loss regret bounds and empirically outperforms the state-of-the-art on three real-world tasks. In online RL, we propose a DistRL algorithm that constructs confidence sets using maximum likelihood estimation. We prove that our algorithm enjoys novel small-loss PAC bounds in low-rank MDPs. As part of our analysis, we introduce the $\ell_1$ distributional eluder dimension which may be of independent interest. Then, in offline RL, we show that pessimistic DistRL enjoys small-loss PAC bounds that are novel to the offline setting and are more robust to bad single-policy coverage.

Like humans, large language models (LLMs) do not always generate the best output on their first try. Motivated by how humans refine their written text, we introduce Self-Refine, an approach for improving initial outputs from LLMs through iterative feedback and refinement. The main idea is to generate an initial output using an LLMs; then, the same LLMs provides *feedback* for its output and uses it to *refine* itself, iteratively. Self-Refine does not require any supervised training data, additional training, or reinforcement learning, and instead uses a single LLM as the generator, refiner and the feedback provider. We evaluate Self-Refine across 7 diverse tasks, ranging from dialog response generation to mathematical reasoning, using state-of-the-art (GPT-3.5, ChatGPT, and GPT-4) LLMs. Across all evaluated tasks, outputs generated with Self-Refine are preferred by humans and automatic metrics over those generated with the same LLM using conventional one-step generation, improving by $\sim$20\% absolute on average in task performance. Our work demonstrates that even state-of-the-art LLMs like GPT-4 can be further improved at test-time using our simple, standalone approach.

A unifying theme in the design of intelligent agents is to efficiently optimize a policy based on what prior knowledge of the problem is available and what actions can be taken to learn more about it. Bandits are a canonical instance of this task that has been intensely studied in the literature. Most methods, however, typically rely solely on an agent's experimentation in a single environment (or multiple closely related environments). In this paper, we relax this assumption and consider the design of bandit algorithms from a combination of batch data and qualitative assumptions about the relatedness across different environments, represented in the form of causal models. In particular, we show that it is possible to exploit invariances across environments, wherever they may occur in the underlying causal model, to consistently improve learning. The resulting bandit algorithm has a sub-linear regret bound with an explicit dependency on a term that captures how informative related environments are for the task at hand; and may have substantially lower regret than experimentation-only bandit instances.

This paper presents ClusterFormer, a universal vision model that is based on the Clustering paradigm with TransFormer. It comprises two novel designs: 1) recurrent cross-attention clustering, which reformulates the cross-attention mechanism in Transformer and enables recursive updates of cluster centers to facilitate strong representation learning; and 2) feature dispatching, which uses the updated cluster centers to redistribute image features through similarity-based metrics, resulting in a transparent pipeline. This elegant design streamlines an explainable and transferable workflow, capable of tackling heterogeneous vision tasks (i.e., image classification, object detection, and image segmentation) with varying levels of clustering granularity (i.e., image-, box-, and pixel-level). Empirical results demonstrate that ClusterFormer outperforms various well-known specialized architectures, achieving 83.41% top-1 acc. over ImageNet-1K for image classification, 54.2% and 47.0% mAP over MS COCO for object detection and instance segmentation, 52.4% mIoU over ADE20K for semantic segmentation, and 55.8% PQ over COCO Panoptic for panoptic segmentation. This work aims to initiate a paradigm shift in universal visual understanding and to benefit the broader field.

The problem of efficient approximation of a linear operator induced by the Gaussian or softmax kernel is often addressed using random features (RFs) which yield an unbiased approximation of the operator's result. Such operators emerge in important applications ranging from kernel methods to efficient Transformers. We propose parameterized, positive, non-trigonometric RFs which approximate Gaussian and softmax-kernels. In contrast to traditional RF approximations, parameters of these new methods can be optimized to reduce the variance of the approximation, and the optimum can be expressed in closed form. We show that our methods lead to variance reduction in practice (e^{10}-times smaller variance and beyond) and outperform previous methods in a kernel regression task. Using our proposed mechanism, we also present FAVOR#, a method for self-attention approximation in Transformers. We show that FAVOR# outperforms other random feature methods in speech modelling and natural language processing.