mtybilly/Instruct2DS huggingface dataset:
Learning Descriptive Image Captioning via Semipermeable Maximum Likelihood Estimation
Authors: Zihao Yue, Anwen Hu, Liang Zhang, Qin Jin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Image captioning aims to describe visual content in natural language. As 'a picture is worth a thousand words', there could be various correct descriptions for an image. However, with maximum likelihood estimation as the training objective, the captioning model is penalized whenever its prediction mismatches with the label. For instance, when the model predicts a word expressing richer semantics than the label, it will be penalized and optimized to prefer more concise expressions, referred to as conciseness optimization. In contrast, predictions that are more concise than labels lead to richness optimization. Such conflicting optimization directions could eventually result in the model generating general descriptions. In this work, we introduce Semipermeable MaxImum Likelihood Estimation (SMILE), which allows richness optimization while blocking conciseness optimization, thus encouraging the model to generate longer captions with more details. Extensive experiments on two mainstream image captioning datasets MSCOCO and Flickr30K demonstrate that SMILE significantly enhances the descriptiveness of generated captions. We further provide in-depth investigations to facilitate a better understanding of how SMILE works.
Alternating Gradient Descent and Mixture-of-Experts for Integrated Multimodal Perception
Authors: Hassan Akbari, Dan Kondratyuk, Yin Cui, Rachel Hornung, Huisheng Wang, Hartwig Adam
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present Integrated Multimodal Perception (IMP), a simple and scalable multimodal multi-task training and modeling approach. IMP integrates multimodal inputs including image, video, text, and audio into a single Transformer encoder with minimal modality-specific components. IMP makes use of a novel design that combines Alternating Gradient Descent (AGD) and Mixture-of-Experts (MoE) for efficient model & task scaling. We conduct extensive empirical studies and reveal the following key insights:    1) performing gradient descent updates by alternating on diverse modalities, loss functions, and tasks, with varying input resolutions, efficiently improves the model.    2) sparsification with MoE on a single modality-agnostic encoder substantially improves the performance, outperforming dense models that use modality-specific encoders or additional fusion layers and greatly mitigating the conflicts between modalities. IMP achieves competitive performance on a wide range of downstream tasks including video classification, image classification, image-text, and video-text retrieval. Most notably, we train a sparse IMP-MoE-L focusing on video tasks that achieves new state-of-the-art in zero-shot video classification: 77.0% on Kinetics-400, 76.8% on Kinetics-600, and 68.3% on Kinetics-700, improving the previous state-of-the-art by +5%, +6.7%, and +5.8%, respectively, while using only 15% of their total training computational cost.
The RefinedWeb Dataset for Falcon LLM: Outperforming Curated Corpora with Web Data Only
Authors: Guilherme Penedo, Quentin Malartic, Daniel Hesslow, Ruxandra Cojocaru, Hamza Alobeidli, Alessandro Cappelli, Baptiste Pannier, Ebtesam Almazrouei, Julien Launay
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Large language models are commonly trained on a mixture of filtered web data and curated ``high-quality'' corpora, such as social media conversations, books, or technical papers. This curation process is believed to be necessary to produce performant models with broad zero-shot generalization abilities. However, as larger models requiring pretraining on trillions of tokens are considered, it is unclear how scalable is curation, and whether we will run out of unique high-quality data soon.  At variance with previous beliefs, we show that properly filtered and deduplicated web data alone can lead to powerful models; even significantly outperforming models trained on The Pile. Despite extensive filtering, the high-quality data we extract from the web is still plentiful, and we are able to obtain five trillion tokens from CommonCrawl. We publicly release an extract of 500 billion tokens from our RefinedWeb dataset, and 1.3/7.5B parameters language models trained on it.
Self-Correcting Bayesian Optimization through Bayesian Active Learning
Authors: Carl Hvarfner, Erik Hellsten, Frank Hutter, Luigi Nardi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Gaussian processes are the model of choice in Bayesian optimization and active learning. Yet, they are highly dependent on cleverly chosen hyperparameters to reach their full potential, and little effort is devoted to finding good hyperparameters in the literature. We demonstrate the impact of selecting good hyperparameters for GPs and present two acquisition functions that explicitly prioritize hyperparameter learning. Statistical distance-based Active Learning (SAL) considers the average disagreement between samples from the posterior, as measured by a statistical distance. SAL outperforms the state-of-the-art in Bayesian active learning on several test functions. We then introduce Self-Correcting Bayesian Optimization (SCoreBO), which extends SAL to perform Bayesian optimization and active learning simultaneously. SCoreBO learns the model hyperparameters at improved rates compared to vanilla BO, while outperforming the latest Bayesian optimization methods on traditional benchmarks. Moreover, we demonstrate the importance of self-correction on atypical Bayesian optimization tasks.
SE(3) Equivariant Augmented Coupling Flows
Authors: Laurence Midgley, Vincent Stimper, Javier Antorán, Emile Mathieu, Bernhard Schölkopf, José Miguel Hernández-Lobato
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Coupling normalizing flows allow for fast sampling and density evaluation, making them the tool of choice for probabilistic modeling of physical systems. However, the standard coupling architecture precludes endowing flows that operate on the Cartesian coordinates of atoms with the SE(3) and permutation invariances of physical systems. This work proposes a coupling flow that preserves SE(3) and permutation equivariance by performing coordinate splits along additional augmented dimensions. At each layer, the flow maps atoms' positions into learned SE(3) invariant bases, where we apply standard flow transformations, such as monotonic rational-quadratic splines, before returning to the original basis.Crucially, our flow preserves fast sampling and density evaluation, and may be used to produce unbiased estimates of expectations with respect to the target distribution via importance sampling.When trained on the DW4, LJ13, and QM9-positional datasets, our flow is competitive with equivariant continuous normalizing flows and diffusion models, while allowing sampling more than an order of magnitude faster.Moreover, to the best of our knowledge, we are the first to learn the full Boltzmann distribution of alanine dipeptide by only modeling the Cartesian positions of its atoms.Lastly, we demonstrate that our flow can be trained to approximately sample from the Boltzmann distribution of the DW4 and LJ13 particle systems using only their energy functions.
Bridging the Domain Gap: Self-Supervised 3D Scene Understanding with Foundation Models
Authors: Zhimin Chen, Longlong Jing, Yingwei Li, Bing Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Foundation models have achieved remarkable results in 2D and language tasks like image segmentation, object detection, and visual-language understanding. However, their potential to enrich 3D scene representation learning is largely untapped due to the existence of the domain gap. In this work, we propose an innovative methodology called Bridge3D to address this gap by pre-training 3D models using features, semantic masks, and captions sourced from foundation models. Specifically, our method employs semantic masks from foundation models to guide the masking and reconstruction process for the masked autoencoder, enabling more focused attention on foreground representations. Moreover, we bridge the 3D-text gap at the scene level using image captioning foundation models, thereby facilitating scene-level knowledge distillation. We further extend this bridging effort by introducing an innovative object-level knowledge distillation method that harnesses highly accurate object-level masks and semantic text data from foundation models. Our methodology significantly surpasses the performance of existing state-of-the-art methods in 3D object detection and semantic segmentation tasks. For instance, on the ScanNet dataset, Bridge3D improves the baseline by a notable margin of 6.3%. Code will be available at: https://github.com/Zhimin-C/Bridge3D
Imagine That! Abstract-to-Intricate Text-to-Image Synthesis with Scene Graph Hallucination Diffusion
Authors: Shengqiong Wu, Hao Fei, Hanwang Zhang, Tat-Seng Chua
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this work, we investigate the task of text-to-image (T2I) synthesis under the abstract-to-intricate setting, i.e., generating intricate visual content from simple abstract text prompts. Inspired by human imagination intuition, we propose a novel scene-graph hallucination (SGH) mechanism for effective abstract-to-intricate T2I synthesis. SGH carries out scene hallucination by expanding the initial scene graph (SG) of the input prompt with more feasible specific scene structures, in which the structured semantic representation of SG ensures high controllability of the intrinsic scene imagination. To approach the T2I synthesis, we deliberately build an SG-based hallucination diffusion system. First, we implement the SGH module based on the discrete diffusion technique, which evolves the SG structure by iteratively adding new scene elements. Then, we utilize another continuous-state diffusion model as the T2I synthesizer, where the overt image-generating process is navigated by the underlying semantic scene structure induced from the SGH module. On the benchmark COCO dataset, our system outperforms the existing best-performing T2I model by a significant margin, especially improving on the abstract-to-intricate T2I generation. Further in-depth analyses reveal how our methods advance.
A unified framework for information-theoretic generalization bounds
Authors: Yifeng Chu, Maxim Raginsky
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper presents a general methodology for deriving information-theoretic generalization bounds for learning algorithms. The main technical tool is a probabilistic decorrelation lemma based on a change of measure and a relaxation of Young's inequality in $L_{\psi_p}$ Orlicz spaces. Using the decorrelation lemma in combination with other techniques, such as symmetrization, couplings, and chaining in the space of probability measures, we obtain new upper bounds on the generalization error, both in expectation and in high probability, and recover as special cases many of the existing generalization bounds, including the ones based on mutual information, conditional mutual information, stochastic chaining, and PAC-Bayes inequalities. In addition, the Fernique--Talagrand upper bound on the expected supremum of a subgaussian process emerges as a special case.
Diverse Shape Completion via Style Modulated Generative Adversarial Networks
Authors: Wesley Khademi, Fuxin Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Shape completion aims to recover the full 3D geometry of an object from a partial observation. This problem is inherently multi-modal since there can be many ways to plausibly complete the missing regions of a shape. Such diversity would be indicative of the underlying uncertainty of the shape and could be preferable for downstream tasks such as planning. In this paper, we propose a novel conditional generative adversarial network that can produce many diverse plausible completions of a partially observed point cloud. To enable our network to produce multiple completions for the same partial input, we introduce stochasticity into our network via style modulation. By extracting style codes from complete shapes during training, and learning a distribution over them, our style codes can explicitly carry shape category information leading to better completions. We further introduce diversity penalties and discriminators at multiple scales to prevent conditional mode collapse and to train without the need for multiple ground truth completions for each partial input. Evaluations across several synthetic and real datasets demonstrate that our method achieves significant improvements in respecting the partial observations while obtaining greater diversity in completions.
On the Role of Randomization in Adversarially Robust Classification
Authors: Lucas Gnecco Heredia, Muni Sreenivas Pydi, Laurent Meunier, Benjamin Negrevergne, Yann Chevaleyre
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Deep neural networks are known to be vulnerable to small adversarial perturbations in test data. To defend against adversarial attacks, probabilistic classifiers have been proposed as an alternative to deterministic ones. However, literature has conflicting findings on the effectiveness of probabilistic classifiers in comparison to deterministic ones. In this paper, we clarify the role of randomization in building adversarially robust classifiers.Given a base hypothesis set of deterministic classifiers, we show the conditions under which a randomized ensemble outperforms the hypothesis set in adversarial risk, extending previous results.Additionally, we show that for any probabilistic binary classifier (including randomized ensembles), there exists a deterministic classifier that outperforms it. Finally, we give an explicit description of the deterministic hypothesis set that contains such a deterministic classifier for many types of commonly used probabilistic classifiers, i.e. randomized ensembles and parametric/input noise injection.
Controlling Text-to-Image Diffusion by Orthogonal Finetuning
Authors: Zeju Qiu, Weiyang Liu, Haiwen Feng, Yuxuan Xue, Yao Feng, Zhen Liu, Dan Zhang, Adrian Weller, Bernhard Schölkopf
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Large text-to-image diffusion models have impressive capabilities in generating photorealistic images from text prompts. How to effectively guide or control these powerful models to perform different downstream tasks becomes an important open problem. To tackle this challenge, we introduce a principled finetuning method -- Orthogonal Finetuning (OFT), for adapting text-to-image diffusion models to downstream tasks. Unlike existing methods, OFT can provably preserve hyperspherical energy which characterizes the pairwise neuron relationship on the unit hypersphere. We find that this property is crucial for preserving the semantic generation ability of text-to-image diffusion models. To improve finetuning stability, we further propose Constrained Orthogonal Finetuning (COFT) which imposes an additional radius constraint to the hypersphere. Specifically, we consider two important finetuning text-to-image tasks: subject-driven generation where the goal is to generate subject-specific images given a few images of a subject and a text prompt, and controllable generation where the goal is to enable the model to take in additional control signals. We empirically show that our OFT framework outperforms existing methods in generation quality and convergence speed.
NCDL:  A Framework for Deep Learning on non-Cartesian Lattices
Authors: Joshua Horacsek, Usman Alim
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The use of non-Cartesian grids is a niche but important topic in sub-fields of the numerical sciences such as simulation and scientific visualization. However, non-Cartesian approaches are virtually unexplored in machine learning. This is likely due to the difficulties in the representation of data on non-Cartesian domains and the lack of support for standard machine learning operations on non-Cartesian data. This paper proposes a new data structure called the lattice tensor which generalizes traditional tensor spatio-temporal operations to lattice tensors, enabling the use of standard machine learning algorithms on non-Cartesian data. However, data need not reside on a non-Cartesian structure, we use non-Dyadic downsampling schemes to bring Cartesian data into a non-Cartesian space for further processing.   We introduce a software library that implements the lattice tensor container (with some common machine learning operations), and   demonstrate its effectiveness. Our method provides a general framework for machine learning on non-Cartesian domains, addressing the challenges mentioned above and filling a gap in the current literature.
Human-in-the-Loop Optimization for Deep Stimulus Encoding in Visual Prostheses
Authors: Jacob Granley, Tristan Fauvel, Matthew Chalk, Michael Beyeler
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neuroprostheses show potential in restoring lost sensory function and enhancing human capabilities, but the sensations produced by current devices often seem unnatural or distorted. Exact placement of implants and differences in individual perception lead to significant variations in stimulus response, making personalized stimulus optimization a key challenge. Bayesian optimization could be usedto optimize patient-specific stimulation parameters with limited noisy observations, but is not feasible for high-dimensional stimuli. Alternatively, deep learning models can optimize stimulus encoding strategies, but typically assume perfect knowledge of patient-specific variations. Here we propose a novel, practically feasible approach that overcomes both of these fundamental limitations. First, a deep encoder network is trained to produce optimal stimuli for any individual patient by inverting a forward model mapping electrical stimuli to visual percepts. Second, a preferential Bayesian optimization strategy utilizes this encoder to learn the optimal patient-specific parameters for a new patient, using a minimal number of pairwise comparisons between candidate stimuli. We demonstrate the viability of this approach on a novel, state-of-the-art visual prosthesis model. Our approach quickly learns a personalized stimulus encoder and leads to dramatic improvements in the quality of restored vision, outperforming existing encoding strategies. Further, this approach is robust to noisy patient feedback and misspecifications in the underlying forward model. Overall, our results suggest that combining the strengths of deep learning and Bayesian optimization could significantly improve the perceptual experience of patients fitted with visual prostheses and may prove a viable solution for a range of neuroprosthetic technologies
CAST: Cross-Attention in Space and Time for Video Action Recognition
Authors: Dongho Lee, Jongseo Lee, Jinwoo Choi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recognizing human actions in videos requires spatial and temporal understanding. Most existing action recognition models lack a balanced spatio-temporal understanding of videos. In this work, we propose a novel two-stream architecture, called Cross-Attention in Space and Time (CAST), that achieves a balanced spatio-temporal understanding of videos using only RGB input. Our proposed bottleneck cross-attention mechanism enables the spatial and temporal expert models to exchange information and make synergistic predictions, leading to improved performance. We validate the proposed method with extensive experiments on public benchmarks with different characteristics: EPIC-Kitchens-100, Something-Something-V2, and Kinetics-400. Our method consistently shows favorable performance across these datasets, while the performance of existing methods fluctuates depending on the dataset characteristics. The code is available at https://github.com/KHU-VLL/CAST.
Faster Differentially Private Convex Optimization via Second-Order Methods
Authors: Arun Ganesh, Mahdi Haghifam, Thomas Steinke, Abhradeep Guha Thakurta
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Differentially private (stochastic) gradient descent is the workhorse of DP private machine learning in both the convex and non-convex settings. Without privacy constraints, second-order methods, like Newton's method, converge faster than first-order methods like gradient descent. In this work, we investigate the prospect of using the second-order information from the loss function to accelerate DP convex optimization. We first develop a private variant of the regularized cubic Newton method of Nesterov and Polyak, and show that for the class of strongly convex loss functions, our algorithm has quadratic convergence and achieves the optimal excess loss. We then design a practical second-order DP algorithm for the unconstrained logistic regression problem. We theoretically and empirically study the performance of our algorithm. Empirical results show our algorithm consistently achieves the best excess loss compared to other baselines and is 10-40x faster than DP-GD/DP-SGD for challenging datasets.
Auditing for Human Expertise
Authors: Rohan Alur, Loren Laine, Darrick Li, Manish Raghavan, Devavrat Shah, Dennis Shung
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: High-stakes prediction tasks (e.g., patient diagnosis) are often handled by trained human experts. A common source of concern about automation in these settings is that experts may exercise intuition that is difficult to model and/or have access to information (e.g., conversations with a patient) that is simply unavailable to a would-be algorithm. This raises a natural question whether human experts add value which could not be captured by an algorithmic predictor.We develop a statistical framework under which we can pose this question as a natural hypothesis test. Indeed, as our framework highlights, detecting human expertise is more subtle than simply comparing the accuracy of expert predictions to those made by a particular learning algorithm. Instead, we propose a simple procedure which tests whether expert predictions are statistically independent from the outcomes of interest after conditioning on the available inputs (‘features’). A rejection of our test thus suggests that human experts may add value to any algorithm trained on the available data, and has direct implications for whether human-AI ‘complementarity’ is achievable in a given prediction task.We highlight the utility of our procedure using admissions data collected from the emergency department of a large academic hospital system, where we show that physicians’ admit/discharge decisions for patients with acute gastrointestinal bleeding (AGIB) appear to be incorporating information that is not available to a standard algorithmic screening tool. This is despite the fact that the screening tool is arguably more accurate than physicians’ discretionary decisions, highlighting that – even absent normative concerns about accountability or interpretability – accuracy is insufficient to justify algorithmic automation.
Smooth, exact rotational symmetrization for deep learning on point clouds
Authors: Sergey Pozdnyakov, Michele Ceriotti
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Point clouds are versatile representations of 3D objects and have found widespread application in science and engineering. Many successful deep-learning models have been proposed that use them as input. The domain of chemical and materials modeling is especially challenging because exact compliance with physical constraints is highly desirable for a model to be usable in practice. These constraints include smoothness and invariance with respect to translations, rotations, and permutations of identical atoms. If these requirements are not rigorously fulfilled, atomistic simulations might lead to absurd outcomes even if the model has excellent accuracy. Consequently, dedicated architectures, which achieve invariance by restricting their design space, have been developed. General-purpose point-cloud models are more varied but often disregard rotational symmetry. We propose a general symmetrization method that adds rotational equivariance to any given model while preserving all the other requirements.Our approach simplifies the development of better atomic-scale machine-learning schemes by relaxing the constraints on the design space and making it possible to incorporate ideas that proved effective in other domains.We demonstrate this idea by introducing the Point Edge Transformer (PET) architecture, which is not intrinsically equivariant but achieves state-of-the-art performance on several benchmark datasets of molecules and solids. A-posteriori application of our general protocol makes PET exactly equivariant, with minimal changes to its accuracy.
On Robust Streaming for Learning with Experts: Algorithms and Lower Bounds
Authors: David Woodruff, Fred Zhang, Samson Zhou
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In the online learning with experts problem, an algorithm makes predictions about an outcome on each of $T$ days, given a set of $n$ experts who make predictions on each day. The algorithm is given feedback on the outcomes of each day, including the cost of its prediction and the cost of the expert predictions, and the goal is to make a prediction with the minimum cost, compared to the best expert in hindsight. However, often the predictions made by experts or algorithms at some time influence future outcomes, so that the input is adaptively generated. In this paper, we study robust algorithms for the experts problem under memory constraints. We first give a randomized algorithm that is robust to adaptive inputs that uses $\widetilde{O}\left(\frac{n}{R\sqrt{T}}\right)$ space for  $M=O\left(\frac{R^2 T}{\log^2 n}\right)$, thereby showing a smooth space-regret trade-off. We then show a space lower bound of $\widetilde{\Omega}\left(\frac{nM}{RT}\right)$ for any randomized algorithm that achieves regret $R$ with probability $1-2^{-\Omega(T)}$, when the best expert makes $M$ mistakes. Our result implies that the natural deterministic algorithm, which iterates through pools of experts until each expert in the pool has erred, is optimal up to polylogarithmic factors. Finally, we empirically demonstrate the benefit of using robust procedures against a white-box adversary that has access to the internal state of the algorithm.
Stochastic Optimal Control for Collective Variable Free Sampling of Molecular Transition Paths
Authors: Lars Holdijk, Yuanqi Du, Ferry Hooft, Priyank Jaini, Berend Ensing, Max Welling
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of sampling transition paths between two given metastable states of a molecular system, eg. a folded and unfolded protein or products and reactants of a chemical reaction. Due to the existence of high energy barriers separating the states, these transition paths are unlikely to be sampled with standard Molecular Dynamics (MD) simulation. Traditional methods to augment MD with a bias potential to increase the probability of the transition rely on a dimensionality reduction step based on Collective Variables (CVs). Unfortunately, selecting appropriate CVs requires chemical intuition and traditional methods are therefore not always applicable to larger systems. Additionally, when incorrect CVs are used, the bias potential might not be minimal and bias the system along dimensions irrelevant to the transition. Showing a formal relation between the problem of sampling molecular transition paths, the Schrodinger bridge problem and stochastic optimal control with neural network policies, we propose a machine learning method for sampling said transitions. Unlike previous non-machine learning approaches our method, named PIPS, does not depend on CVs. We show that our method successful generates low energy transitions for Alanine Dipeptide as well as the larger Polyproline and Chignolin proteins.
RangePerception: Taming LiDAR Range View for Efficient and Accurate 3D Object Detection
Authors: Yeqi BAI, Ben Fei, Youquan Liu, Tao MA, Yuenan Hou, Botian Shi, Yikang LI
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: LiDAR-based 3D detection methods currently use bird's-eye view (BEV) or range view (RV) as their primary basis. The former relies on voxelization and 3D convolutions, resulting in inefficient training and inference processes. Conversely, RV-based methods demonstrate higher efficiency due to their compactness and compatibility with 2D convolutions, but their performance still trails behind that of BEV-based methods. To eliminate this performance gap while preserving the efficiency of RV-based methods, this study presents an efficient and accurate RV-based 3D object detection framework termed RangePerception. Through meticulous analysis, this study identifies two critical challenges impeding the performance of existing RV-based methods: 1) there exists a natural domain gap between the 3D world coordinate used in output and 2D range image coordinate used in input, generating difficulty in information extraction from range images; 2) native range images suffer from vision corruption issue, affecting the detection accuracy of the objects located on the margins of the range images. To address the key challenges above, we propose two novel algorithms named Range Aware Kernel (RAK) and Vision Restoration Module (VRM), which facilitate information flow from range image representation and world-coordinate 3D detection results. With the help of RAK and VRM, our RangePerception achieves 3.25/4.18 higher averaged L1/L2 AP compared to previous state-of-the-art RV-based method RangeDet, on Waymo Open Dataset. For the first time as an RV-based 3D detection method, RangePerception achieves slightly superior averaged AP compared with the well-known BEV-based method CenterPoint and the inference speed of RangePerception is 1.3 times as fast as CenterPoint.
One-for-All: Bridge the Gap Between Heterogeneous Architectures in Knowledge Distillation
Authors: Zhiwei Hao, Jianyuan Guo, Kai Han, Yehui Tang, Han Hu, Yunhe Wang, Chang Xu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Knowledge distillation (KD) has proven to be a highly effective approach for enhancing model performance through a teacher-student training scheme. However, most existing distillation methods are designed under the assumption that the teacher and student models belong to the same model family, particularly the hint-based approaches. By using centered kernel alignment (CKA) to compare the learned features between heterogeneous teacher and student models, we observe significant feature divergence. This divergence illustrates the ineffectiveness of previous hint-based methods in cross-architecture distillation. To tackle the challenge in distilling heterogeneous models, we propose a simple yet effective one-for-all KD framework called OFA-KD, which significantly improves the distillation performance between heterogeneous architectures.  Specifically, we project intermediate features into an aligned latent space such as the logits space, where architecture-specific information is discarded. Additionally, we introduce an adaptive target enhancement scheme to prevent the student from being disturbed by irrelevant information. Extensive experiments with various architectures, including CNN, Transformer, and MLP, demonstrate the superiority of our OFA-KD framework in enabling distillation between heterogeneous architectures. Specifically, when equipped with our OFA-KD, the student models achieve notable performance improvements, with a maximum gain of 8.0% on the CIFAR-100 dataset and 0.7% on the ImageNet-1K dataset. PyTorch code and checkpoints can be found at https://github.com/Hao840/OFAKD.
The Graph Pencil Method: Mapping Subgraph Densities to Stochastic Block Models
Authors: Lee Gunderson, Gecia Bravo-Hermsdorff, Peter Orbanz
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this work, we describe a method that determines an exact map from a finite set of subgraph densities to the parameters of a stochastic block model (SBM) matching these densities. Given a number K of blocks, the subgraph densities of a finite number of stars and bistars uniquely determines a single element of the class of all degree-separated stochastic block models with K blocks. Our method makes it possible to translate estimates of these subgraph densities into model parameters, and hence to use subgraph densities directly for inference. The computational overhead is negligible; computing the translation map is polynomial in K, but independent of the graph size once the subgraph densities are given.
Cross-links Matter for Link Prediction: Rethinking the Debiased GNN from a Data Perspective
Authors: Zihan Luo, Hong Huang, Jianxun Lian, Xiran Song, Xing Xie, Hai Jin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recently, the bias-related issues in GNN-based link prediction have raised widely spread concerns. In this paper, we emphasize the bias on links across different node clusters, which we call cross-links, after considering its significance in both easing information cocoons and preserving graph connectivity. Instead of following the objective-oriented mechanism in prior works with compromised utility, we empirically find that existing GNN models face severe data bias between internal-links (links within the same cluster) and cross-links, and this inspires us to rethink the bias issue on cross-links from a data perspective. Specifically, we design a simple yet effective twin-structure framework, which can be easily applied to most of GNNs to mitigate the bias as well as boost their utility in an end-to-end manner. The basic idea is to generate debiased node embeddings as demonstrations, and fuse them into the embeddings of original GNNs. In particular, we learn debiased node embeddings with the help of augmented supervision signals, and a novel dynamic training strategy is designed to effectively fuse debiased node embeddings with the original node embeddings. Experiments on three datasets with six common GNNs show that our framework can not only alleviate the bias between internal-links and cross-links, but also boost the overall accuracy. Comparisons with other state-of-the-art methods also verify the superiority of our method.
On the Robustness of Removal-Based Feature Attributions
Authors: Chris Lin, Ian Covert, Su-In Lee
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: To explain predictions made by complex machine learning models, many feature attribution methods have been developed that assign importance scores to input features. Some recent work challenges the robustness of these methods by showing that they are sensitive to input and model perturbations, while other work addresses this issue by proposing robust attribution methods. However, previous work on attribution robustness has focused primarily on gradient-based feature attributions, whereas the robustness of removal-based attribution methods is not currently well understood. To bridge this gap, we theoretically characterize the robustness properties of removal-based feature attributions. Specifically, we provide a unified analysis of such methods and derive upper bounds for the difference between intact and perturbed attributions, under settings of both input and model perturbations. Our empirical results on synthetic and real-world data validate our theoretical results and demonstrate their practical implications, including the ability to increase attribution robustness by improving the model’s Lipschitz regularity.
Sample-efficient Multi-objective Molecular Optimization with GFlowNets
Authors: Yiheng Zhu, Jialu Wu, Chaowen Hu, Jiahuan Yan, kim hsieh, Tingjun Hou, Jian Wu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Many crucial scientific problems involve designing novel molecules with desired properties, which can be formulated as a black-box optimization problem over the discrete chemical space. In practice, multiple conflicting objectives and costly evaluations (e.g., wet-lab experiments) make the diversity of candidates paramount. Computational methods have achieved initial success but still struggle with considering diversity in both objective and search space. To fill this gap, we propose a multi-objective Bayesian optimization (MOBO) algorithm leveraging the hypernetwork-based GFlowNets (HN-GFN) as an acquisition function optimizer, with the purpose of sampling a diverse batch of candidate molecular graphs from an approximate Pareto front. Using a single preference-conditioned hypernetwork, HN-GFN learns to explore various trade-offs between objectives. We further propose a hindsight-like off-policy strategy to share high-performing molecules among different preferences in order to speed up learning for HN-GFN. We empirically illustrate that HN-GFN has adequate capacity to generalize over preferences. Moreover, experiments in various real-world MOBO settings demonstrate that our framework predominantly outperforms existing methods in terms of candidate quality and sample efficiency. The code is available at https://github.com/violet-sto/HN-GFN.
DeepSimHO: Stable Pose Estimation for Hand-Object Interaction via Physics Simulation
Authors: Rong Wang, Wei Mao, Hongdong Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper addresses the task of 3D pose estimation for a hand interacting with an object from a single image observation. When modeling hand-object interaction, previous works mainly exploit proximity cues, while overlooking the dynamical nature that the hand must stably grasp the object to counteract gravity and thus preventing the object from slipping or falling. These works fail to leverage dynamical constraints in the estimation and consequently often produce unstable results. Meanwhile, refining unstable configurations with physics-based reasoning remains challenging, both by the complexity of contact dynamics and by the lack of effective and efficient physics inference in the data-driven learning framework. To address both issues, we present DeepSimHO: a novel deep-learning pipeline that combines forward physics simulation and backward gradient approximation with a neural network. Specifically, for an initial hand-object pose estimated by a base network, we forward it to a physics simulator to evaluate its stability. However, due to non-smooth contact geometry and penetration, existing differentiable simulators can not provide reliable state gradient. To remedy this, we further introduce a deep network to learn the stability evaluation process from the simulator, while smoothly approximating its gradient and thus enabling effective back-propagation. Extensive experiments show that our method noticeably improves the stability of the estimation and achieves superior efficiency over test-time optimization. The code is available at https://github.com/rongakowang/DeepSimHO.
Towards Data-Algorithm Dependent Generalization: a Case Study on Overparameterized Linear Regression
Authors: Jing Xu, Jiaye Teng, Yang Yuan, Andrew Yao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: One of the major open problems in machine learning is to characterize generalization in the overparameterized regime, where most traditional generalization bounds become inconsistent even for overparameterized linear regression. In many scenarios, this failure can be attributed to obscuring the crucial interplay between the training algorithm and the underlying data distribution. This paper demonstrate that the generalization behavior of overparameterized model should be analyzed in a both data-relevant and algorithm-relevant manner. To make a formal characterization, We introduce a notion called data-algorithm compatibility, which considers the generalization behavior of the entire data-dependent training trajectory, instead of traditional last-iterate analysis.  We validate our claim by studying the setting of solving overparameterized linear regression with gradient descent. Specifically, we perform a data-dependent trajectory analysis and derive a sufficient condition for compatibility in such a setting. Our theoretical results demonstrate that if we take early stopping iterates into consideration, generalization can hold with significantly weaker restrictions on the problem instance than the previous last-iterate analysis.
Global Structure-Aware Diffusion Process for Low-light Image Enhancement
Authors: Jinhui HOU, Zhiyu Zhu, Junhui Hou, Hui LIU, Huanqiang Zeng, Hui Yuan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper studies a diffusion-based framework to address the low-light image enhancement problem. To harness the capabilities of diffusion models, we delve into this intricate process and advocate for the regularization of its inherent ODE-trajectory. To be specific, inspired by the recent research that low curvature ODE-trajectory results in a stable and effective diffusion process, we formulate a curvature regularization term anchored in the intrinsic non-local structures of image data, i.e., global structure-aware regularization, which gradually facilitates the preservation of complicated details and the augmentation of contrast during the diffusion process. This incorporation mitigates the adverse effects of noise and artifacts resulting from the diffusion process, leading to a more precise and flexible enhancement. To additionally promote learning in challenging regions, we introduce an uncertainty-guided regularization technique, which wisely relaxes constraints on the most extreme regions of the image. Experimental evaluations reveal that the proposed diffusion-based framework, complemented by rank-informed regularization, attains distinguished performance in low-light enhancement. The outcomes indicate substantial advancements in image quality, noise suppression, and contrast amplification in comparison with state-of-the-art methods. We believe this innovative approach will stimulate further exploration and advancement in low-light image processing, with potential implications for other applications of diffusion models. The code is publicly available at https://github.com/jinnh/GSAD.
FedGCN: Convergence-Communication Tradeoffs in Federated Training of Graph Convolutional Networks
Authors: Yuhang Yao, Weizhao Jin, Srivatsan Ravi, Carlee Joe-Wong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Methods for training models on graphs distributed across multiple clients have recently grown in popularity, due to the size of these graphs as well as regulations on keeping data where it is generated. However, the cross-client edges naturally exist among clients. Thus, distributed methods for training a model on a single graph incur either significant communication overhead between clients or a loss of available information to the training. We introduce the Federated Graph Convolutional Network (FedGCN) algorithm, which uses federated learning to train GCN models for semi-supervised node classification with fast convergence and little communication. Compared to prior methods that require extra communication among clients at each training round, FedGCN clients only communicate with the central server in one pre-training step, greatly reducing communication costs and allowing the use of homomorphic encryption to further enhance privacy. We theoretically analyze the tradeoff between FedGCN's convergence rate and communication cost under different data distributions. Experimental results show that our FedGCN algorithm achieves better model accuracy with 51.7\% faster convergence on average and at least 100$\times$ less communication compared to prior work.
SegRefiner: Towards Model-Agnostic Segmentation Refinement with Discrete Diffusion Process
Authors: Mengyu Wang, Henghui Ding, Jun Hao Liew, Jiajun Liu, Yao Zhao, Yunchao Wei
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this paper, we explore a principal way to enhance the quality of object masks produced by different segmentation models. We propose a model-agnostic solution called SegRefiner, which offers a novel perspective on this problem by interpreting segmentation refinement as a data generation process. As a result, the refinement process can be smoothly implemented through a series of denoising diffusion steps. Specifically, SegRefiner takes coarse masks as inputs and refines them using a discrete diffusion process. By predicting the label and corresponding states-transition probabilities for each pixel, SegRefiner progressively refines the noisy masks in a conditional denoising manner. To assess the effectiveness of SegRefiner, we conduct comprehensive experiments on various segmentation tasks, including semantic segmentation, instance segmentation, and dichotomous image segmentation. The results demonstrate the superiority of our SegRefiner from multiple aspects. Firstly, it consistently improves both the segmentation metrics and boundary metrics across different types of coarse masks. Secondly, it outperforms previous model-agnostic refinement methods by a significant margin. Lastly, it exhibits a strong capability to capture extremely fine details when refining high-resolution images. The source code and trained models are available at SegRefiner.git
On Masked Pre-training and the Marginal Likelihood
Authors: Pablo Moreno-Muñoz, Pol Garcia Recasens, Søren Hauberg
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Masked pre-training removes random input dimensions and learns a model that can predict the missing values. Empirical results indicate that this intuitive form of self-supervised learning yields models that generalize very well to new domains. A theoretical understanding is, however, lacking. This paper shows that masked pre-training with a suitable cumulative scoring function corresponds to maximizing the model's marginal likelihood, which is de facto the Bayesian model selection measure of generalization. Beyond shedding light on the success of masked pre-training, this insight also suggests that Bayesian models can be trained with appropriately designed self-supervision. Empirically, we confirm the developed theory and explore the main learning principles of masked pre-training in large language models.