mtybilly/Instruct2DS huggingface dataset:
Into the Single Cell Multiverse: an End-to-End Dataset for Procedural Knowledge Extraction in Biomedical Texts
Authors: Ruth Dannenfelser, Jeffrey Zhong, Ran Zhang, Vicky Yao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Many of the most commonly explored natural language processing (NLP) information extraction tasks can be thought of as evaluations of declarative knowledge, or fact-based information extraction. Procedural knowledge extraction, i.e., breaking down a described process into a series of steps, has received much less attention, perhaps in part due to the lack of structured datasets that capture the knowledge extraction process from end-to-end. To address this unmet need, we present FlaMBé (Flow annotations for Multiverse Biological entities), a collection of expert-curated datasets across a series of complementary tasks that capture procedural knowledge in biomedical texts. This dataset is inspired by the observation that one ubiquitous source of procedural knowledge that is described as unstructured text is within academic papers describing their methodology. The workflows annotated in FlaMBé are from texts in the burgeoning field of single cell research, a research area that has become notorious for the number of software tools and complexity of workflows used. Additionally, FlaMBé provides, to our knowledge, the largest manually curated named entity recognition (NER) and disambiguation (NED) datasets for tissue/cell type, a fundamental biological entity that is critical for knowledge extraction in the biomedical research domain. Beyond providing a valuable dataset to enable further development of NLP models for procedural knowledge extraction, automating the process of workflow mining also has important implications for advancing reproducibility in biomedical research.
RRHF: Rank Responses to Align Language Models with Human Feedback
Authors: Hongyi Yuan, Zheng Yuan, Chuanqi Tan, Wei Wang, Songfang Huang, Fei Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Reinforcement Learning from Human Feedback (RLHF) facilitates the alignment of large language models with human preferences, significantly enhancing the quality of interactions between humans and models. InstructGPT implements RLHF through several stages, including Supervised Fine-Tuning (SFT), reward model training, and Proximal Policy Optimization (PPO). However, PPO is sensitive to hyperparameters and requires multiple models in its standard implementation, making it hard to train and scale up to larger parameter counts.In contrast, we propose a novel learning paradigm called RRHF, which scores sampled responses from different sources via a logarithm of conditional probabilities and learns to align these probabilities with human preferences through ranking loss.RRHF can leverage sampled responses from various sources including the model responses from itself, other large language model responses, and human expert responses to learn to rank them.RRHF only needs 1 to 2 models during tuning and can efficiently align language models with human preferences robustly without complex hyperparameter tuning. Additionally, RRHF can be considered an extension of SFT and reward model training while being simpler than PPO in terms of coding, model counts, and hyperparameters. We evaluate RRHF on the Helpful and Harmless dataset, demonstrating comparable alignment performance with PPO by reward model score and human labeling.Extensive experiments show that the performance of RRHF is highly related to sampling quality which suggests RRHF is a best-of-$n$ learner.
Sparsity-Preserving Differentially Private Training of Large Embedding Models
Authors: Badih Ghazi, Yangsibo Huang, Pritish Kamath, Ravi Kumar, Pasin Manurangsi, Amer Sinha, Chiyuan Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: As the use of large embedding models in recommendation systems and language applications increases, concerns over user data privacy have also risen.  DP-SGD, a training algorithm that combines differential privacy with stochastic gradient descent, has been the workhorse in protecting user privacy without compromising model accuracy by much. However, applying DP-SGD naively to embedding models can destroy gradient sparsity, leading to reduced training efficiency. To address this issue, we present two new algorithms, DP-FEST and DP-AdaFEST, that preserve gradient sparsity during the private training of large embedding models.  Our algorithms achieve substantial reductions ($10^6 \times$) in gradient size, while maintaining comparable levels of accuracy, on benchmark real-world datasets.
Bayesian target optimisation for high-precision holographic optogenetics
Authors: Marcus Triplett, Marta Gajowa, Hillel Adesnik, Liam Paninski
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Two-photon optogenetics has transformed our ability to probe the structure and function of neural circuits. However, achieving precise optogenetic control of neural ensemble activity has remained fundamentally constrained by the problem of off-target stimulation (OTS): the inadvertent activation of nearby non-target neurons due to imperfect confinement of light onto target neurons. Here we propose a novel computational approach to this problem called Bayesian target optimisation. Our approach uses nonparametric Bayesian inference to model neural responses to optogenetic stimulation, and then optimises the laser powers and optical target locations needed to achieve a desired activity pattern with minimal OTS. We validate our approach in simulations and using data from in vitro experiments, showing that Bayesian target optimisation considerably reduces OTS across all conditions we test. Together, these results establish our ability to overcome OTS, enabling optogenetic stimulation with substantially improved precision.
From ViT Features to Training-free Video Object Segmentation via Streaming-data Mixture Models
Authors: Roy Uziel, Or Dinari, Oren Freifeld
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In the task of semi-supervised video object segmentation, the input is the binary mask of an object in the first frame, and the desired output consists of the corresponding masks of that object in the subsequent frames. Existing leading solutions have two main drawbacks: 1) an expensive and typically-supervised training on videos; 2) a large memory footprint during inference. Here we present a training-free solution, with a low-memory footprint, that yields state-of-the-art results. The proposed method combines pre-trained deep learning-based features (trained on still images) with more classical methods for streaming-data clustering. Designed to adapt to temporal concept drifts and generalize to diverse video content without relying on annotated images or videos, the method eliminates the need for additional training or fine-tuning, ensuring fast inference and immediate applicability to new videos. Concretely, we represent an object via a dynamic ensemble of temporally- and spatially-coherent mixtures over a representation built from pre-trained ViT features and positional embeddings. A convolutional conditional random field further improves spatial coherence and helps reject outliers. We demonstrate the efficacy of the method on key benchmarks: the DAVIS-2017 and YouTube-VOS 2018 validation datasets. Moreover, by the virtue of the low-memory footprint of the compact cluster-based representation, the method scales gracefully to high-resolution ViT features. Our code is available at https://github.com/BGU-CS-VIL/Training-Free-VOS
How hard are computer vision datasets? Calibrating dataset difficulty to viewing time
Authors: David Mayo, Jesse Cummings, Xinyu Lin, Dan Gutfreund, Boris Katz, Andrei Barbu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Humans outperform object recognizers despite the fact that models perform well on current datasets, including those explicitly designed to challenge machines with debiased images or distribution shift. This problem persists, in part, because we have no guidance on the absolute difficulty of an image or dataset making it hard to objectively assess progress toward human-level performance, to cover the range of human abilities, and to increase the challenge posed by a dataset. We develop a dataset difficulty metric MVT, Minimum Viewing Time, that addresses these three problems. Subjects view an image that flashes on screen and then classify the object in the image. Images that require brief flashes to recognize are easy, those which require seconds of viewing are hard. We compute the ImageNet and ObjectNet image difficulty distribution, which we find significantly undersamples hard images. Nearly 90% of current benchmark performance is derived from images that are easy for humans. Rather than hoping that we will make harder datasets, we can for the first time objectively guide dataset difficulty during development. We can also subset recognition performance as a function of difficulty: model performance drops precipitously while human performance remains stable. Difficulty provides a new lens through which to view model performance, one which uncovers new scaling laws: vision-language models stand out as being the most robust and human-like while all other techniques scale poorly. We release tools to automatically compute MVT, along with image sets which are tagged by difficulty. Objective image difficulty has practical applications – one can measure how hard a test set is before deploying a real-world system – and scientific applications such as discovering the neural correlates of image difficulty and enabling new object recognition techniques that eliminate the benchmark-vs- real-world performance gap.
What Knowledge Gets Distilled in Knowledge Distillation?
Authors: Utkarsh Ojha, Yuheng Li, Anirudh Sundara Rajan, Yingyu Liang, Yong Jae Lee
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Knowledge distillation aims to transfer useful information from a teacher network to a student network, with the primary goal of improving the student's performance for the task at hand. Over the years, there has a been a deluge of novel techniques and use cases of knowledge distillation. Yet, despite the various improvements, there seems to be a glaring gap in the community's fundamental understanding of the process. Specifically, what is the knowledge that gets distilled in knowledge distillation?  In other words, in what ways does the student become similar to the teacher? Does it start to localize objects in the same way? Does it get fooled by the same adversarial samples? Does its data invariance properties become similar? Our work presents a comprehensive study to try to answer these questions. We show that existing methods can indeed indirectly distill these properties beyond improving task performance. We further study why knowledge distillation might work this way, and show that our findings have practical implications as well.
Kernelized Cumulants: Beyond Kernel Mean Embeddings
Authors: Patric Bonnier, Harald Oberhauser, Zoltan Szabo
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In $\mathbb{R}^d$, it is well-known that cumulants provide an alternative to moments that can achieve the same goals with numerous benefits such as lower variance estimators. In this paper we extend cumulants to reproducing kernel Hilbert spaces (RKHS) using tools from tensor algebras and show that they are computationally tractable by a kernel trick. These kernelized cumulants provide a new set of all-purpose statistics; the classical maximum mean discrepancy and Hilbert-Schmidt independence criterion arise as the degree one objects in our general construction. We argue both theoretically and empirically (on synthetic, environmental, and traffic data analysis) that going beyond degree one has several advantages and can be achieved with the same computational complexity and minimal overhead in our experiments.
Contrastive Training of Complex-Valued Autoencoders for Object Discovery
Authors: Aleksandar Stanić, Anand Gopalakrishnan, Kazuki Irie, Jürgen Schmidhuber
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Current state-of-the-art object-centric models use slots and attention-based routing for binding. However, this class of models has several conceptual limitations: the number of slots is hardwired; all slots have equal capacity; training has high computational cost; there are no object-level relational factors within slots. Synchrony-based models in principle can address these limitations by using complex-valued activations which store binding information in their phase components. However, working examples of such synchrony-based models have been developed only very recently, and are still limited to toy grayscale datasets and simultaneous storage of less than three objects in practice. Here we introduce architectural modifications and a novel contrastive learning method that greatly improve the state-of-the-art synchrony-based model. For the first time, we obtain a class of synchrony-based models capable of discovering objects in an unsupervised manner in multi-object color datasets and simultaneously representing more than three objects.
Non-adversarial training of Neural SDEs with signature kernel scores
Authors: Zacharia Issa, Blanka Horvath, Maud Lemercier, Cristopher Salvi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neural SDEs are continuous-time generative models for sequential data. State-of-the-art performance for irregular time series generation has been previously obtained by training these models adversarially as GANs. However, as typical for GAN architectures, training is notoriously unstable, often suffers from mode collapse, and requires specialised techniques such as weight clipping and gradient penalty to mitigate these issues. In this paper, we introduce a novel class of scoring rules on pathspace based on signature kernels and use them as objective for training Neural SDEs non-adversarially. By showing strict properness of such kernel scores and consistency of the corresponding estimators, we provide existence and uniqueness guarantees for the minimiser. With this formulation, evaluating the generator-discriminator pair amounts to solving a system of linear path-dependent PDEs which allows for memory-efficient adjoint-based backpropagation. Moreover, because the proposed kernel scores are well-defined for paths with values in infinite dimensional spaces of functions, our framework can be easily extended to generate spatiotemporal data. Our procedure significantly outperforms alternative ways of training Neural SDEs on a variety of tasks including the simulation of rough volatility models, the conditional probabilistic forecasts of real-world forex pairs where the conditioning variable is an observed past trajectory, and the mesh-free generation of limit order book dynamics.
Uni-ControlNet: All-in-One Control to Text-to-Image Diffusion Models
Authors: Shihao Zhao, Dongdong Chen, Yen-Chun Chen, Jianmin Bao, Shaozhe Hao, Lu Yuan, Kwan-Yee K. Wong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Text-to-Image diffusion models have made tremendous progress over the past two years, enabling the generation of highly realistic images based on open-domain text descriptions. However, despite their success, text descriptions often struggle to adequately convey detailed controls, even when composed of long and complex texts. Moreover, recent studies have also shown that these models face challenges in understanding such complex texts and generating the corresponding images. Therefore, there is a growing need to enable more control modes beyond text description. In this paper, we introduce Uni-ControlNet, a unified framework that allows for the simultaneous utilization of different local controls (e.g., edge maps, depth map, segmentation masks) and global controls (e.g., CLIP image embeddings) in a flexible and composable manner within one single model. Unlike existing methods, Uni-ControlNet only requires the fine-tuning of two additional adapters upon frozen pre-trained text-to-image diffusion models, eliminating the huge cost of training from scratch. Moreover, thanks to some dedicated adapter designs, Uni-ControlNet only necessitates a constant number (i.e., 2) of adapters, regardless of the number of local or global controls used. This not only reduces the fine-tuning costs and model size, making it more suitable for real-world deployment, but also facilitate composability of different conditions. Through both quantitative and qualitative comparisons, Uni-ControlNet demonstrates its superiority over existing methods in terms of controllability, generation quality and composability. Code is available at https://github.com/ShihaoZhaoZSH/Uni-ControlNet.
Loss Decoupling for Task-Agnostic Continual Learning
Authors: Yan-Shuo Liang, Wu-Jun Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Continual learning requires the model to learn multiple tasks in a sequential order. To perform continual learning, the model must possess the abilities to maintain performance on old tasks (stability) and adapt itself to learn new tasks (plasticity). Task-agnostic problem in continual learning is a challenging problem, in which task identities are not available in the inference stage and hence the model must learn to distinguish all the classes in all the tasks. In task-agnostic problem, the model needs to learn two new objectives for learning a new task, including distinguishing new classes from old classes and distinguishing between different new classes. For task-agnostic problem, replay-based methods are commonly used. These methods update the model with both saved old samples and new samples for continual learning. Most existing replay-based methods mix the two objectives in task-agnostic problem together, inhibiting the models from achieving a good trade-off between stability and plasticity. In this paper, we propose a simple yet effective method, called loss decoupling (LODE), for task-agnostic continual learning. LODE separates the two objectives for the new task by decoupling the loss of the new task. As a result, LODE can assign different weights for different objectives, which provides a way to obtain a better trade-off between stability and plasticity than those methods with coupled loss. Experiments show that LODE can outperform existing state-of-the-art replay-based methods on multiple continual learning datasets.
Federated Learning via Meta-Variational Dropout
Authors: Insu Jeon, Minui Hong, Junhyeog Yun, Gunhee Kim
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: Xiran Fan, Chun-Hao Yang, Baba Vemuri
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: Yuzhang Shang, Zhihang Yuan, Yan Yan
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: Woojin Cho, Kookjin Lee, Donsub Rim, Noseong Park
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: Xidong Wu, Jianhui Sun, Zhengmian Hu, Aidong Zhang, Heng Huang
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: Alexandre Maraval, Matthieu Zimmer, Antoine Grosnit, Haitham Bou Ammar
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: Ayush Sekhari, Karthik Sridharan, Wen Sun, Runzhe Wu
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: George Ma, Yifei Wang, Yisen Wang
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: Jae Sung Park, Jack Hessel, Khyathi Chandu, Paul Pu Liang, Ximing Lu, Peter West, Youngjae Yu, Qiuyuan Huang, Jianfeng Gao, Ali Farhadi, Yejin Choi
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: Mengcheng Lan, Xinjiang Wang, Yiping Ke, Jiaxing Xu, Litong Feng, Wayne Zhang
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: Junjiao Tian, Yen-Cheng Liu, James S Smith, Zsolt Kira
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: Shengpu Tang, Jenna Wiens
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: Nimrah Mustafa, Aleksandar Bojchevski, Rebekka Burkholz
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: Zhongang Cai, 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
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: Dorian Baudry, Fabien Pesquerel, Rémy Degenne, Odalric-Ambrym Maillard
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: Fabian Fumagalli, Maximilian Muschalik, Patrick Kolpaczki, Eyke Hüllermeier, Barbara Hammer
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: Tyler LaBonte, Vidya Muthukumar, Abhishek Kumar
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: Zhongli Jiang, Dabao Zhang
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.