mtybilly/Instruct2DS huggingface dataset:
Federated Learning via Meta-Variational Dropout
Authors: Minui Hong, Junhyeog Yun, Gunhee Kim Insu Jeon
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Federated Learning (FL) aims to train a global inference model from remotely distributed clients, gaining popularity due to its benefit of improving data privacy. However, traditional FL often faces challenges in practical applications, including model overfitting and divergent local models due to limited and non-IID data among clients. To address these issues, we introduce a novel Bayesian meta-learning approach called meta-variational dropout (MetaVD). MetaVD learns to predict client-dependent dropout rates via a shared hypernetwork, enabling effective model personalization of FL algorithms in limited non-IID data settings. We also emphasize the posterior adaptation view of meta-learning and the posterior aggregation view of Bayesian FL via the conditional dropout posterior. We conducted extensive experiments on various sparse and non-IID FL datasets. MetaVD demonstrated excellent classification accuracy and uncertainty calibration performance, especially for out-of-distribution (OOD) clients. MetaVD compresses the local model parameters needed for each client, mitigating model overfitting and reducing communication costs. Code is available at https://github.com/insujeon/MetaVD.
Horospherical Decision Boundaries for Large Margin Classification in Hyperbolic Space
Authors: Chun-Hao Yang, Baba Vemuri Xiran Fan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Hyperbolic spaces have been quite popular in the recent past for representing hierarchically organized data. Further, several classification algorithms for data in these spaces have been proposed in the literature. These algorithms mainly use either hyperplanes or geodesics for decision boundaries in a large margin classifiers setting leading to a non-convex optimization problem. In this paper, we propose a novel large margin classifier based on horospherical decision boundaries that leads to a geodesically convex optimization problem that can be optimized using any Riemannian gradient descent technique guaranteeing a globally optimal solution. We present several experiments depicting the competitive performance of our classifier in comparison to SOTA.
MIM4DD: Mutual Information Maximization for Dataset Distillation
Authors: Zhihang Yuan, Yan Yan Yuzhang Shang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Dataset distillation (DD) aims to synthesize a small dataset whose test performance is comparable to a full dataset using the same model. State-of-the-art (SoTA) methods optimize synthetic datasets primarily by matching heuristic indicators extracted from two networks: one from real data and one from synthetic data (see Fig.1, Left), such as gradients and training trajectories. DD is essentially a compression problem that emphasizes on maximizing the preservation of information contained in the data. We argue that well-defined metrics which measure the amount of shared information between variables in information theory are necessary for success measurement, but are never considered by previous works. Thus, we introduce mutual information (MI) as the metric to quantify the shared information between the synthetic and the real datasets, and devise MIM4DD numerically maximizing the MI via a newly designed optimizable objective within a contrastive learning framework to update the synthetic dataset. Specifically, we designate the samples in different datasets who share the same labels as positive pairs, and vice versa negative pairs. Then we respectively pull and push those samples in positive and negative pairs into contrastive space via minimizing NCE loss. As a result, the targeted MI can be transformed into a lower bound represented by feature maps of samples, which is numerically feasible. Experiment results show that MIM4DD can be implemented as an add-on module to existing SoTA DD methods.
Hypernetwork-based Meta-Learning for Low-Rank Physics-Informed Neural Networks
Authors: Kookjin Lee, Donsub Rim, Noseong Park Woojin Cho
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In various engineering and applied science applications, repetitive numerical simulations of partial differential equations (PDEs) for varying input parameters are often required (e.g., aircraft shape optimization over many design parameters) and solvers are required to perform rapid execution. In this study, we suggest a path that potentially opens up a possibility for physics-informed neural networks (PINNs), emerging deep-learning-based solvers, to be considered as one such solver. Although PINNs have pioneered a proper integration of deep-learning and scientific computing, they require repetitive time-consuming training of neural networks, which is not suitable for many-query scenarios. To address this issue, we propose a lightweight low-rank PINNs containing only hundreds of model parameters and an associated hypernetwork-based meta-learning algorithm, which allows efficient approximation of solutions of PDEs for varying ranges of PDE input parameters. Moreover, we show that the proposed method is effective in overcoming a challenging issue, known as "failure modes" of PINNs.
Solving a Class of Non-Convex  Minimax Optimization in Federated Learning
Authors: Jianhui Sun, Zhengmian Hu, Aidong Zhang, Heng Huang Xidong Wu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The minimax problems arise throughout machine learning applications, ranging from adversarial training and policy evaluation in reinforcement learning to AUROC maximization. To address the large-scale distributed data challenges across multiple clients with communication-efficient distributed training, federated learning (FL) is gaining popularity. Many optimization algorithms for minimax problems have been developed in the centralized setting (\emph{i.e.}, single-machine). Nonetheless, the algorithm for minimax problems under FL is still underexplored. In this paper, we study a class of federated nonconvex minimax optimization problems. We propose FL algorithms (FedSGDA+ and FedSGDA-M) and reduce existing complexity results for the most common minimax problems. For nonconvex-concave problems, we propose FedSGDA+ and reduce the communication complexity to $O(\varepsilon^{-6})$. Under nonconvex-strongly-concave and nonconvex-PL minimax settings, we prove that FedSGDA-M has the best-known sample complexity of $O(\kappa^{3} N^{-1}\varepsilon^{-3})$ and the best-known communication complexity of $O(\kappa^{2}\varepsilon^{-2})$. FedSGDA-M is the first algorithm to match the best sample complexity $O(\varepsilon^{-3})$ achieved by the single-machine method under the nonconvex-strongly-concave setting. Extensive experimental results on fair classification and AUROC maximization show the efficiency of our algorithms.
End-to-End Meta-Bayesian Optimisation with Transformer Neural Processes
Authors: Matthieu Zimmer, Antoine Grosnit, Haitham Bou Ammar Alexandre Maraval
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Meta-Bayesian optimisation (meta-BO) aims to improve the sample efficiency of Bayesian optimisation by leveraging data from related tasks. While previous methods successfully meta-learn either a surrogate model or an acquisition function independently, joint training of both components remains an open challenge. This paper proposes the first end-to-end differentiable meta-BO framework that generalises neural processes to learn acquisition functions via transformer architectures. We enable this end-to-end framework with reinforcement learning (RL) to tackle the lack of labelled acquisition data. Early on, we notice that training transformer-based neural processes from scratch with RL is challenging due to insufficient supervision, especially when rewards are sparse. We formalise this claim with a combinatorial analysis showing that the widely used notion of regret as a reward signal exhibits a logarithmic sparsity pattern in trajectory lengths. To tackle this problem, we augment the RL objective with an auxiliary task that guides part of the architecture to learn a valid probabilistic model as an inductive bias. We demonstrate that our method achieves state-of-the-art regret results against various baselines in experiments on standard hyperparameter optimisation tasks and also outperforms others in the real-world problems of mixed-integer programming tuning, antibody design, and logic synthesis for electronic design automation.
Contextual Bandits and Imitation Learning with Preference-Based Active Queries
Authors: Karthik Sridharan, Wen Sun, Runzhe Wu Ayush Sekhari
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of contextual bandits and imitation learning, where the learner lacks direct knowledge of the executed action's reward. Instead, the learner can actively request the expert at each round to compare two actions and receive noisy preference feedback. The learner's objective is two-fold: to minimize regret associated with the executed actions, while simultaneously, minimizing the number of comparison queries made to the expert. In this paper, we assume that the learner has access to a function class that can represent the expert's preference model under appropriate link functions and present an algorithm that leverages an online regression oracle with respect to this function class. For the contextual bandit setting, our algorithm achieves a regret bound that combines the best of both worlds, scaling as $O(\min\\{\sqrt{T}, d/\Delta\\})$, where $T$ represents the number of interactions, $d$ represents the eluder dimension of the function class, and $\Delta$ represents the minimum preference of the optimal action over any suboptimal action under all contexts. Our algorithm does not require the knowledge of $\Delta$, and the obtained regret bound is comparable to what can be achieved in the standard contextual bandits setting where the learner observes reward signals at each round. Additionally, our algorithm makes only $O(\min\\{T, d^2/\Delta^2\\})$ queries to the expert. We then extend our algorithm to the imitation learning setting, where the agent engages with an unknown environment in episodes of length $H$, and provide similar guarantees regarding regret and query complexity. Interestingly, with preference-based feedback, our imitation learning algorithm can learn a policy outperforming a sub-optimal expert, matching the result from interactive imitation learning algorithms [Ross and Bagnell, 2014] that require access to the expert's actions and also reward signals.
Laplacian Canonization: A Minimalist Approach to Sign and Basis Invariant Spectral Embedding
Authors: Yifei Wang, Yisen Wang George Ma
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Spectral embedding is a powerful graph embedding technique that has received a lot of attention recently due to its effectiveness on Graph Transformers. However, from a theoretical perspective, the universal expressive power of spectral embedding comes at the price of losing two important invariance properties of graphs, sign and basis invariance, which also limits its effectiveness on graph data. To remedy this issue, many previous methods developed costly approaches to learn new invariants and suffer from high computation complexity. In this work, we explore a minimal approach that resolves the ambiguity issues by directly finding canonical directions for the eigenvectors, named Laplacian Canonization (LC). As a pure pre-processing method, LC is light-weighted and can be applied to any existing GNNs. We provide a thorough investigation, from theory to algorithm, on this approach, and discover an efficient algorithm named Maximal Axis Projection (MAP) that works for both sign and basis invariance and successfully canonizes more than 90\% of all eigenvectors. Experiments on real-world benchmark datasets like ZINC, MOLTOX21, and MOLPCBA show that MAP consistently outperforms existing methods while bringing minimal computation overhead. Code is available at https://github.com/PKU-ML/LaplacianCanonization.
Localized Symbolic Knowledge Distillation for Visual Commonsense Models
Authors: Jack Hessel, Khyathi Chandu, Paul Pu Liang, Ximing Lu, Peter West, Youngjae Yu, Qiuyuan Huang, Jianfeng Gao, Ali Farhadi, Yejin Choi Jae Sung Park
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Instruction following vision-language (VL) models offer a flexibleinterface that supports a broad range of multimodal tasks in a zero-shot fashion.However, interfaces that operate on full images do not directly enable the user to“point to" and access specific regions within images. This capability is importantnot only to support reference-grounded VL benchmarks, but also, for practicalapplications that require precise within-image reasoning. We build LocalizedVisual Commonsense model which allows users to specify (multiple) regions-as-input. We train our model by sampling localized commonsense knowledgefrom a large language model (LLM): specifically, we prompt a LLM to collectcommonsense knowledge given a global literal image description and a localliteral region description automatically generated by a set of VL models. Thispipeline is scalable and fully automatic, as no aligned or human-authored imageand text pairs are required. With a separately trained critic model that selectshigh quality examples, we find that training on the localized commonsense corpusexpanded solely from images can successfully distill existing VL models to supporta reference-as-input interface. Empirical results and human evaluations in zero-shotsettings demonstrate that our distillation method results in more precise VL modelsof reasoning compared to a baseline of passing a generated referring expression.
SmooSeg: Smoothness Prior for Unsupervised Semantic Segmentation
Authors: Xinjiang Wang, Yiping Ke, Jiaxing Xu, Litong Feng, Wayne Zhang Mengcheng Lan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Unsupervised semantic segmentation is a challenging task that segments images into semantic groups without manual annotation. Prior works have primarily focused on leveraging prior knowledge of semantic consistency or priori concepts from self-supervised learning methods, which often overlook the coherence property of image segments. In this paper, we demonstrate that the smoothness prior, asserting that close features in a metric space share the same semantics, can significantly simplify segmentation by casting unsupervised semantic segmentation as an energy minimization problem. Under this paradigm, we propose a novel approach called SmooSeg that harnesses self-supervised learning methods to model the closeness relationships among observations as smoothness signals. To effectively discover coherent semantic segments, we introduce a novel smoothness loss that promotes piecewise smoothness within segments while preserving discontinuities across different segments. Additionally, to further enhance segmentation quality, we design an asymmetric teacher-student style predictor that generates smoothly updated pseudo labels, facilitating an optimal fit between observations and labeling outputs. Thanks to the rich supervision cues of the smoothness prior, our SmooSeg significantly outperforms STEGO in terms of pixel accuracy on three datasets: COCOStuff (+14.9\%), Cityscapes (+13.0\%), and Potsdam-3 (+5.7\%).
Fast Trainable Projection for Robust Fine-tuning
Authors: Yen-Cheng Liu, James S Smith, Zsolt Kira Junjiao Tian
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Robust fine-tuning aims to achieve competitive in-distribution (ID) performance while maintaining the out-of-distribution (OOD) robustness of a pre-trained model when transferring it to a downstream task. Recently, projected gradient descent has been successfully used in robust fine-tuning by constraining the deviation from the initialization of the fine-tuned model explicitly through projection. However, algorithmically, two limitations prevent this method from being adopted more widely, scalability and efficiency.  In this paper, we propose a new projection-based fine-tuning algorithm, Fast Trainable Projection (FTP) for computationally efficient learning of per-layer projection constraints, resulting in an average 35% speedup on our benchmarks compared to prior works. FTP can be combined with existing optimizers such as AdamW, and be used in a plug-and-play fashion. Finally, we show that FTP is a special instance of hyper-optimizers that tune the hyper-parameters of optimizers in a learnable manner through nested differentiation. Empirically, we show superior robustness on OOD datasets, including domain shifts and natural corruptions, across four different vision tasks with five different pre-trained models. Additionally, we demonstrate that FTP is broadly applicable and beneficial to other learning scenarios such as low-label and continual learning settings thanks to its easy adaptability. The code will be available at https://github.com/GT-RIPL/FTP.git.
Counterfactual-Augmented Importance Sampling for Semi-Offline Policy Evaluation
Authors: Jenna Wiens Shengpu Tang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In applying reinforcement learning (RL) to high-stakes domains, quantitative and qualitative evaluation using observational data can help practitioners understand the generalization performance of new policies. However, this type of off-policy evaluation (OPE) is inherently limited since offline data may not reflect the distribution shifts resulting from the application of new policies. On the other hand, online evaluation by collecting rollouts according to the new policy is often infeasible, as deploying new policies in these domains can be unsafe. In this work, we propose a semi-offline evaluation framework as an intermediate step between offline and online evaluation, where human users provide annotations of unobserved counterfactual trajectories. While tempting to simply augment existing data with such annotations, we show that this naive approach can lead to biased results. Instead, we design a new family of OPE estimators based on importance sampling (IS) and a novel weighting scheme that incorporate counterfactual annotations without introducing additional bias. We analyze the theoretical properties of our approach, showing its potential to reduce both bias and variance compared to standard IS estimators. Our analyses reveal important practical considerations for handling biased, noisy, or missing annotations. In a series of proof-of-concept experiments involving bandits and a healthcare-inspired simulator, we demonstrate that our approach outperforms purely offline IS estimators and is robust to imperfect annotations. Our framework, combined with principled human-centered design of annotation solicitation, can enable the application of RL in high-stakes domains.
Are GATs Out of Balance?
Authors: Aleksandar Bojchevski, Rebekka Burkholz Nimrah Mustafa
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: While the expressive power and computational capabilities of graph neural networks (GNNs) have been theoretically studied, their optimization and learning dynamics, in general, remain largely unexplored. Our study undertakes the Graph Attention Network (GAT), a popular GNN architecture in which a node's neighborhood aggregation is weighted by parameterized attention coefficients. We derive a conservation law of GAT gradient flow dynamics, which explains why a high portion of parameters in GATs with standard initialization struggle to change during training. This effect is amplified in deeper GATs, which perform significantly worse than their shallow counterparts. To alleviate this problem, we devise an initialization scheme that balances the GAT network. Our approach i) allows more effective propagation of gradients and in turn enables trainability of deeper networks, and ii) attains a considerable speedup in training and convergence time in comparison to the standard initialization. Our main theorem serves as a stepping stone to studying the learning dynamics of positive homogeneous models with attention mechanisms.
SMPLer-X: Scaling Up Expressive Human Pose and Shape Estimation
Authors: Wanqi Yin, Ailing Zeng, CHEN WEI, Qingping SUN, Wang Yanjun, Hui En Pang, Haiyi Mei, Mingyuan Zhang, Lei Zhang, Chen Change Loy, Lei Yang, Ziwei Liu Zhongang Cai
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Expressive human pose and shape estimation (EHPS) unifies body, hands, and face motion capture with numerous applications. Despite encouraging progress, current state-of-the-art methods still depend largely on a confined set of training datasets. In this work, we investigate scaling up EHPS towards the first generalist foundation model (dubbed SMPLer-X), with up to ViT-Huge as the backbone and training with up to 4.5M instances from diverse data sources. With big data and the large model, SMPLer-X exhibits strong performance across diverse test benchmarks and excellent transferability to even unseen environments. 1) For the data scaling, we perform a systematic investigation on 32 EHPS datasets, including a wide range of scenarios that a model trained on any single dataset cannot handle. More importantly, capitalizing on insights obtained from the extensive benchmarking process, we optimize our training scheme and select datasets that lead to a significant leap in EHPS capabilities. 2) For the model scaling, we take advantage of vision transformers to study the scaling law of model sizes in EHPS. Moreover, our finetuning strategy turn SMPLer-X into specialist models, allowing them to achieve further performance boosts. Notably, our foundation model SMPLer-X consistently delivers state-of-the-art results on seven benchmarks such as AGORA (107.2 mm NMVE), UBody (57.4 mm PVE), EgoBody (63.6 mm PVE), and EHF (62.3 mm PVE without finetuning).
Fast Asymptotically Optimal Algorithms for Non-Parametric Stochastic Bandits
Authors: Fabien Pesquerel, Rémy Degenne, Odalric-Ambrym Maillard Dorian Baudry
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of regret minimization in non-parametric stochastic bandits. When the rewards are known to be bounded from above, there exists asymptotically optimal algorithms, with asymptotic regret depending on an infimum of Kullback-Leibler divergences (KL). These algorithms are computationally expensive and require storing all past rewards, thus simpler but non-optimal algorithms are often used instead. We introduce several methods to approximate the infimum KL which reduce drastically the computational and memory costs of existing optimal algorithms, while keeping their regret guaranties. We apply our findings to design new variants of the MED and IMED algorithms, and demonstrate their interest with extensive numerical simulations.
SHAP-IQ: Unified Approximation of any-order Shapley Interactions
Authors: Maximilian Muschalik, Patrick Kolpaczki, Eyke Hüllermeier, Barbara Hammer Fabian Fumagalli
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Predominately in explainable artificial intelligence (XAI) research, the Shapley value (SV) is applied to determine feature attributions for any black box model. Shapley interaction indices extend the SV to define any-order feature interactions. Defining a unique Shapley interaction index is an open research question and, so far, three definitions have been proposed, which differ by their choice of axioms. Moreover, each definition requires a specific approximation technique. Here, we propose SHAPley Interaction Quantification (SHAP-IQ), an efficient sampling-based approximator to compute Shapley interactions for arbitrary cardinal interaction indices (CII), i.e. interaction indices that satisfy the linearity, symmetry and dummy axiom. SHAP-IQ is based on a novel representation and, in contrast to existing methods, we provide theoretical guarantees for its approximation quality, as well as estimates for the variance of the point estimates. For the special case of SV, our approach reveals a novel representation of the SV and corresponds to Unbiased KernelSHAP with a greatly simplified calculation. We illustrate the computational efficiency and effectiveness by explaining language, image classification and high-dimensional synthetic models.
Towards Last-layer Retraining for Group Robustness with Fewer Annotations
Authors: Vidya Muthukumar, Abhishek Kumar Tyler LaBonte
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Empirical risk minimization (ERM) of neural networks is prone to over-reliance on spurious correlations and poor generalization on minority groups. The recent deep feature reweighting (DFR) technique achieves state-of-the-art group robustness via simple last-layer retraining, but it requires held-out group and class annotations to construct a group-balanced reweighting dataset. In this work, we examine this impractical requirement and find that last-layer retraining can be surprisingly effective with no group annotations (other than for model selection) and only a handful of class annotations. We first show that last-layer retraining can greatly improve worst-group accuracy even when the reweighting dataset has only a small proportion of worst-group data. This implies a "free lunch" where holding out a subset of training data to retrain the last layer can substantially outperform ERM on the entire dataset with no additional data, annotations, or computation for training. To further improve group robustness, we introduce a lightweight method called selective last-layer finetuning (SELF), which constructs the reweighting dataset using misclassifications or disagreements. Our experiments present the first evidence that model disagreement upsamples worst-group data, enabling SELF to nearly match DFR on four well-established benchmarks across vision and language tasks with no group annotations and less than 3% of the held-out class annotations.
Analysis of Variance of Multiple Causal Networks
Authors: Dabao Zhang Zhongli Jiang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Constructing a directed cyclic graph (DCG) is challenged by both algorithmic difficulty and computational burden. Comparing multiple DCGs is even more difficult, compounded by the need to identify dynamic causalities across graphs. We propose to unify multiple DCGs with a single structural model and develop a limited-information-based method to simultaneously construct multiple networks and infer their disparities, which can be visualized by appropriate correspondence analysis. The algorithm provides DCGs with robust non-asymptotic theoretical properties. It is designed with two sequential stages, each of which involves parallel computation tasks that are scalable to the network complexity. Taking advantage of high-performance clusters, our method makes it possible to evaluate the statistical significance of DCGs using the bootstrap method. We demonstrated the effectiveness of our method by applying it to synthetic and real datasets.
Revisiting the Minimalist Approach to Offline Reinforcement Learning
Authors: Vladislav Kurenkov, Alexander Nikulin, Sergey Kolesnikov Denis Tarasov
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent years have witnessed significant advancements in offline reinforcement learning (RL), resulting in the development of numerous algorithms with varying degrees of complexity. While these algorithms have led to noteworthy improvements, many incorporate seemingly minor design choices that impact their effectiveness beyond core algorithmic advances. However, the effect of these design choices on established baselines remains understudied. In this work, we aim to bridge this gap by conducting a retrospective analysis of recent works in offline RL and propose ReBRAC, a minimalistic algorithm that integrates such design elements built on top of the TD3+BC method. We evaluate ReBRAC on 51 datasets with both proprioceptive and visual state spaces using D4RL and V-D4RL benchmarks, demonstrating its state-of-the-art performance among ensemble-free methods in both offline and offline-to-online settings. To further illustrate the efficacy of these design choices, we perform a large-scale ablation study and hyperparameter sensitivity analysis on the scale of thousands of experiments.
Complementary Benefits of Contrastive Learning and Self-Training Under Distribution Shift
Authors: Amrith Setlur, Zachary Lipton, Sivaraman Balakrishnan, Virginia Smith, Aditi Raghunathan Saurabh Garg
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Self-training and contrastive learning have emerged as leading techniques for incorporating unlabeled data, both under distribution shift (unsupervised domain adaptation) and when it is absent (semi-supervised learning). However, despite the popularity and compatibility of these techniques, their efficacy in combination remains surprisingly unexplored. In this paper, we first undertake a systematic empirical investigation of this combination, finding (i) that in domain adaptation settings, self-training and contrastive learning offer significant complementary gains; and (ii) that in semi-supervised learning settings, surprisingly, the benefits are not synergistic. Across eight distribution shift datasets (e.g., BREEDs, WILDS), we demonstrate that the combined method obtains 3--8\% higher accuracy than either approach independently. Finally, we theoretically analyze these techniques in a simplified model of distribution shift demonstrating scenarios under which the features produced by contrastive learning can yield a good initialization for self-training to further amplify gains and achieve optimal performance, even when either method alone would fail.
Low Tensor Rank Learning of Neural Dynamics
Authors: N Alex Cayco Gajic, Angus Chadwick Arthur Pellegrino
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Learning relies on coordinated synaptic changes in recurrently connected populations of neurons. Therefore, understanding the collective evolution of synaptic connectivity over learning is a key challenge in neuroscience and machine learning. In particular, recent work has shown that the weight matrices of task-trained RNNs are typically low rank, but how this low rank structure unfolds over learning is unknown. To address this, we investigate the rank of the 3-tensor formed by the weight matrices throughout learning. By fitting RNNs of varying rank to large-scale neural recordings during a motor learning task, we find that the inferred weights are low-tensor-rank and therefore evolve over a fixed low-dimensional subspace throughout the entire course of learning. We next validate the observation of low-tensor-rank learning on an RNN trained to solve the same task. Finally, we present a set of mathematical results bounding the matrix and tensor ranks of gradient descent learning dynamics which show that low-tensor-rank weights emerge naturally in RNNs trained to solve low-dimensional tasks. Taken together, our findings provide insight on the evolution of population connectivity over learning in both biological and artificial neural networks, and enable reverse engineering of learning-induced changes in recurrent dynamics from large-scale neural recordings.
MonoUNI: A Unified Vehicle and Infrastructure-side Monocular 3D Object Detection Network with Sufficient Depth Clues
Authors: Zhenjia Li, Yifeng Shi Jia Jinrang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Monocular 3D detection of vehicle and infrastructure sides are two important topics in autonomous driving. Due to diverse sensor installations and focal lengths, researchers are faced with the challenge of constructing algorithms for the two topics based on different prior knowledge. In this paper, by taking into account the diversity of pitch angles and focal lengths, we propose a unified optimization target named normalized depth, which realizes the unification of 3D detection problems for the two sides. Furthermore, to enhance the accuracy of monocular 3D detection, 3D normalized cube depth of obstacle is developed to promote the learning of depth information. We posit that the richness of depth clues is a pivotal factor impacting the detection performance on both the vehicle and infrastructure sides. A richer set of depth clues facilitates the model to learn better spatial knowledge, and the 3D normalized cube depth offers sufficient depth clues. Extensive experiments demonstrate the effectiveness of our approach. Without introducing any extra information, our method, named MonoUNI, achieves state-of-the-art performance on five widely used monocular 3D detection benchmarks, including Rope3D and DAIR-V2X-I for the infrastructure side, KITTI and Waymo for the vehicle side, and nuScenes for the cross-dataset evaluation.
Active Reasoning in an Open-World Environment
Authors: Guangyuan Jiang, Wei Liang, Chi Zhang, Yixin Zhu Manjie Xu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent advances in vision-language learning have achieved notable success on complete-information question-answering datasets through the integration of extensive world knowledge. Yet, most models operate passively, responding to questions based on pre-stored knowledge. In stark contrast, humans possess the ability to actively explore, accumulate, and reason using both newfound and existing information to tackle incomplete-information questions. In response to this gap, we introduce Conan, an interactive open-world environment devised for the assessment of active reasoning. Conan facilitates active exploration and promotes multi-round abductive inference, reminiscent of rich, open-world settings like Minecraft. Diverging from previous works that lean primarily on single-round deduction via instruction following, Conan compels agents to actively interact with their surroundings, amalgamating new evidence with prior knowledge to elucidate events from incomplete observations. Our analysis on \bench underscores the shortcomings of contemporary state-of-the-art models in active exploration and understanding complex scenarios. Additionally, we explore Abduction from Deduction, where agents harness Bayesian rules to recast the challenge of abduction as a deductive process. Through Conan, we aim to galvanize advancements in active reasoning and set the stage for the next generation of artificial intelligence agents adept at dynamically engaging in environments.
2Direction: Theoretically Faster Distributed Training with Bidirectional Communication Compression
Authors: Peter Richtarik Alexander Tyurin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider distributed convex optimization problems in the regime when the communication between the server and the workers is expensive in both uplink and downlink directions. We develop a new and provably accelerated method, which we call 2Direction, based on fast bidirectional compressed communication and a new bespoke error-feedback mechanism which may be of independent interest. Indeed, we find that the EF and EF21-P mechanisms (Seide et al., 2014; Gruntkowska et al., 2023) that have considerable success in the design of efficient non-accelerated methods are not appropriate for accelerated methods. In particular, we prove that 2Direction improves the previous state-of-the-art communication complexity $\widetilde{\Theta}\left(K \times \left(\frac{L}{\alpha \mu} + \frac{L_{\max} \omega}{n \mu} + \omega\right)\right)$ (Gruntkowska et al., 2023) to $\widetilde{\Theta}(K \times (\sqrt{\frac{L (\omega + 1)}{\alpha \mu}} + \sqrt{\frac{L_{\max} \omega^2}{n \mu}} + \frac{1}{\alpha} + \omega))$ in the $\mu$--strongly-convex setting, where $L$ and $L_{\max}$ are smoothness constants, $n$ is \# of workers, $\omega$ and $\alpha$ are compression errors of the Rand$K$ and Top$K$ sparsifiers (as examples), $K$ is \# of coordinates/bits that the server and workers send to each other. Moreover, our method is the first that improves upon the communication complexity of the vanilla accelerated gradient descent method (AGD). We obtain similar improvements in the general convex regime as well. Finally, our theoretical findings are corroborated by experimental evidence.
Tree of Thoughts: Deliberate Problem Solving with Large Language Models
Authors: Dian Yu, Jeffrey Zhao, Izhak Shafran, Tom Griffiths, Yuan Cao, Karthik Narasimhan Shunyu Yao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Language models are increasingly being deployed for general problem solving across a wide range of tasks, but are still confined to token-level, left-to-right decision-making processes during inference. This means they can fall short in tasks that require exploration, strategic lookahead, or where initial decisions play a pivotal role. To surmount these challenges, we introduce a new framework for language model inference, Tree of Thoughts (ToT), which generalizes over the popular Chain of Thought approach to prompting language models, and enables exploration over coherent units of text (thoughts) that serve as intermediate steps toward problem solving. ToT allows LMs to perform deliberate decision making by considering multiple different reasoning paths and self-evaluating choices to decide the next course of action, as well as looking ahead or backtracking when necessary to make global choices.Our experiments show that ToT significantly enhances language models’ problem-solving abilities on three novel tasks requiring non-trivial planning or search: Game of 24, Creative Writing, and Mini Crosswords. For instance, in Game of 24, while GPT-4 with chain-of-thought prompting only solved 4\% of tasks, our method achieved a success rate of 74\%. Code repo with all prompts: https://github.com/princeton-nlp/tree-of-thought-llm.
What functions can Graph Neural Networks compute on random graphs? The role of Positional Encoding
Authors: Samuel Vaiter Nicolas Keriven
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: 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.
High-dimensional Asymptotics of Denoising Autoencoders
Authors: Lenka Zdeborová Hugo Cui
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We address the problem of denoising data from a Gaussian mixture using a two-layer non-linear autoencoder with tied weights and a skip connection. We consider the high-dimensional limit where the number of training samples and the input dimension jointly tend to infinity while the number of hidden units remains bounded. We provide closed-form expressions for the denoising mean-squared test error. Building on this result, we quantitatively characterize the advantage of the considered architecture over the autoencoder without the skip connection that relates closely to principal component analysis. We further show that our results capture accurately the learning curves on a range of real datasets.
Learning to Reason and Memorize with Self-Notes
Authors: Shubham Toshniwal, Jason Weston, arthur szlam, Sainbayar Sukhbaatar Jack Lanchantin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Large language models have been shown to struggle with multi-step reasoning, and do not retain previous reasoning steps for future use. We propose a simple method for solving both of these problems by allowing the model to take Self-Notes. Unlike recent chain-of-thought or scratchpad approaches, the model can deviate from the input context at any time to explicitly think and write down its thoughts. This allows the model to perform reasoning on the fly as it reads the context and even integrate previous reasoning steps, thus enhancing its memory with useful information and enabling multi-step reasoning. Experiments across a wide variety of tasks demonstrate that our method can outperform chain-of-thought and scratchpad methods by taking Self-Notes that interleave the input text.
What can a Single Attention Layer Learn? A Study Through the Random Features Lens
Authors: Tianyu Guo, Yu Bai, Song Mei Hengyu Fu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Attention layers---which map a sequence of inputs to a sequence of outputs---are core building blocks of the Transformer architecture which has achieved significant breakthroughs in modern artificial intelligence. This paper presents a rigorous theoretical study on the learning and generalization of a single multi-head attention layer, with a sequence of key vectors and a separate query vector as input. We consider the random feature setting where the attention layer has a large number of heads, with randomly sampled frozen query and key matrices, and trainable value matrices. We show that such a random-feature attention layer can express a broad class of target functions that are permutation invariant to the key vectors.  We further provide quantitative excess risk bounds for learning these target functions from finite samples, using random feature attention with finitely many heads.Our results feature several implications unique to the attention structure compared with existing random features theory for neural networks, such as (1) Advantages in the sample complexity over standard two-layer random-feature networks;  (2) Concrete and natural classes of functions that can be learned efficiently by a random-feature attention layer; and (3) The effect of the sampling distribution of the query-key weight matrix (the product of the query and key matrix), where Gaussian random weights with a non-zero mean result in better sample complexities over the zero-mean counterpart for learning certain natural target functions. Experiments on simulated data corroborate our theoretical findings and further illustrate the interplay between the sample size and the complexity of the target function.
Let the Flows Tell:  Solving Graph Combinatorial Problems with GFlowNets
Authors: Hanjun Dai, Nikolay Malkin, Aaron C. Courville, Yoshua Bengio, Ling Pan Dinghuai Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space.On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates.In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment.Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.Our implementation is open-sourced at https://github.com/zdhNarsil/GFlowNet-CombOpt.
Debiasing Scores and Prompts of 2D Diffusion for View-consistent Text-to-3D Generation
Authors: Donghoon Ahn, Seungryong Kim Susung Hong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Existing score-distilling text-to-3D generation techniques, despite their considerable promise, often encounter the view inconsistency problem. One of the most notable issues is the Janus problem, where the most canonical view of an object (\textit{e.g}., face or head) appears in other views. In this work, we explore existing frameworks for score-distilling text-to-3D generation and identify the main causes of the view inconsistency problem---the embedded bias of 2D diffusion models. Based on these findings, we propose two approaches to debias the score-distillation frameworks for view-consistent text-to-3D generation. Our first approach, called score debiasing, involves cutting off the score estimated by 2D diffusion models and gradually increasing the truncation value throughout the optimization process. Our second approach, called prompt debiasing, identifies conflicting words between user prompts and view prompts using a language model, and adjusts the discrepancy between view prompts and the viewing direction of an object. Our experimental results show that our methods improve the realism of the generated 3D objects by significantly reducing artifacts and achieve a good trade-off between faithfulness to the 2D diffusion models and 3D consistency with little overhead. Our project page is available at~\url{https://susunghong.github.io/Debiased-Score-Distillation-Sampling/}.