mtybilly/Instruct2DS huggingface dataset:
IPMix: Label-Preserving Data Augmentation Method for Training Robust Classifiers
Authors: Zhenglin Huang, Xiaoan Bao, Na Zhang, Qingqi Zhang, Xiao Tu, Biao Wu, Xi Yang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Data augmentation has been proven effective for training high-accuracy convolutional neural network classifiers by preventing overfitting. However, building deep neural networks in real-world scenarios requires not only high accuracy on clean data but also robustness when data distributions shift. While prior methods have proposed that there is a trade-off between accuracy and robustness, we propose IPMix, a simple data augmentation approach to improve robustness without hurting clean accuracy. IPMix integrates three levels of data augmentation (image-level, patch-level, and pixel-level) into a coherent and label-preserving technique to increase the diversity of training data with limited computational overhead. To further improve the robustness, IPMix introduces structural complexity at different levels to generate more diverse images and adopts the random mixing method for multi-scale information fusion. Experiments demonstrate that IPMix outperforms state-of-the-art corruption robustness on CIFAR-C and ImageNet-C. In addition, we show that IPMix also significantly improves the other safety measures, including robustness to adversarial perturbations, calibration, prediction consistency, and anomaly detection, achieving state-of-the-art or comparable results on several benchmarks, including ImageNet-R, ImageNet-A, and ImageNet-O.
Discovering Hierarchical Achievements in Reinforcement Learning via Contrastive Learning
Authors: Seungyong Moon, Junyoung Yeom, Bumsoo Park, Hyun Oh Song
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Discovering achievements with a hierarchical structure in procedurally generated environments presents a significant challenge.This requires an agent to possess a broad range of abilities, including generalization and long-term reasoning. Many prior methods have been built upon model-based or hierarchical approaches, with the belief that an explicit module for long-term planning would be advantageous for learning hierarchical dependencies. However, these methods demand an excessive number of environment interactions or large model sizes, limiting their practicality. In this work, we demonstrate that proximal policy optimization (PPO), a simple yet versatile model-free algorithm, outperforms previous methods when optimized with recent implementation practices. Moreover, we find that the PPO agent can predict the next achievement to be unlocked to some extent, albeit with limited confidence. Based on this observation, we introduce a novel contrastive learning method, called achievement distillation, which strengthens the agent's ability to predict the next achievement. Our method exhibits a strong capacity for discovering hierarchical achievements and shows state-of-the-art performance on the challenging Crafter environment in a sample-efficient manner while utilizing fewer model parameters.
VisoGender:  A dataset for benchmarking gender bias in image-text pronoun resolution
Authors: Siobhan Mackenzie Hall, Fernanda Gonçalves Abrantes, Hanwen Zhu, Grace Sodunke, Aleksandar Shtedritski, Hannah Rose Kirk
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: We introduce VisoGender, a novel dataset for benchmarking gender bias in vision-language models. We focus on occupation-related biases within a hegemonic system of binary gender, inspired by Winograd and Winogender schemas, where each image is associated with a caption containing a pronoun relationship of subjects and objects in the scene. VisoGender is balanced by gender representation in professional roles, supporting bias evaluation in two ways: i) resolution bias, where we evaluate the difference between pronoun resolution accuracies for image subjects with gender presentations perceived as masculine versus feminine by human annotators and ii) retrieval bias, where we compare ratios of professionals perceived to have masculine and feminine gender presentations retrieved for a gender-neutral search query. We benchmark several state-of-the-art vision-language models and find that they demonstrate bias in resolving binary gender in complex scenes. While the direction and magnitude of gender bias depends on the task and the model being evaluated, captioning models are generally less biased than Vision-Language Encoders.
Concept Distillation: Leveraging Human-Centered Explanations for Model Improvement
Authors: Avani Gupta, Saurabh Saini, P J Narayanan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Humans use abstract concepts for understanding instead of hard features. Recent interpretability research has focused on human-centered concept explanations of neural networks. Concept Activation Vectors (CAVs) estimate a model's sensitivity and possible biases to a given concept. We extend CAVs from post-hoc analysis to ante-hoc training to reduce model bias through fine-tuning using an additional Concept Loss. Concepts are defined on the final layer of the network in the past. We generalize it to intermediate layers, including the last convolution layer. We also introduce Concept Distillation, a method to define rich and effective concepts using a pre-trained knowledgeable model as the teacher. Our method can sensitize or desensitize a model towards concepts. We show applications of concept-sensitive training to debias several classification problems. We also show a way to induce prior knowledge into a reconstruction problem. We show that concept-sensitive training can improve model interpretability, reduce biases, and induce prior knowledge.
Mitigating the Effect of Incidental Correlations on Part-based Learning
Authors: Gaurav Bhatt, Deepayan Das, Leonid Sigal, Vineeth N Balasubramanian
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Intelligent systems possess a crucial characteristic of breaking complicated problems into smaller reusable components or parts and adjusting to new tasks using these part representations. However, current part-learners encounter difficulties in dealing with incidental correlations resulting from the limited observations of objects that may appear only in specific arrangements or with specific backgrounds. These incidental correlations may have a detrimental impact on the generalization and interpretability of learned part representations. This study asserts that part-based representations could be more interpretable and generalize better with limited data, employing two innovative regularization methods. The first regularization separates foreground and background information's generative process via a unique mixture-of-parts formulation. Structural constraints are imposed on the parts using a weakly-supervised loss, guaranteeing that the mixture-of-parts for foreground and background entails soft, object-agnostic masks. The second regularization assumes the form of a distillation loss, ensuring the invariance of the learned parts to the incidental background correlations. Furthermore, we incorporate sparse and orthogonal constraints to facilitate learning high-quality part representations.By reducing the impact of incidental background correlations on the learned parts, we exhibit state-of-the-art (SoTA) performance on few-shot learning tasks on benchmark datasets, including MiniImagenet, TieredImageNet, and FC100. We also demonstrate that the part-based representations acquired through our approach generalize better than existing techniques, even under domain shifts of the background and common data corruption on the ImageNet-9 dataset.
Towards In-context Scene Understanding
Authors: Ivana Balazevic, David Steiner, Nikhil Parthasarathy, Relja Arandjelović, Olivier Henaff
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In-context learning––the ability to configure a model's behavior with different prompts––has revolutionized the field of natural language processing, alleviating the need for task-specific models and paving the way for generalist models capable of assisting with any query. Computer vision, in contrast, has largely stayed in the former regime: specialized decoders and finetuning protocols are generally required to perform dense tasks such as semantic segmentation and depth estimation. In this work we explore a simple mechanism for in-context learning of such scene understanding tasks: nearest neighbor retrieval from a prompt of annotated features. We propose a new pretraining protocol––leveraging attention within and across images––which yields representations particularly useful in this regime. The resulting Hummingbird model, suitably prompted, performs various scene understanding tasks without modification while approaching the performance of specialists that have been finetuned for each task. Moreover, Hummingbird can be configured to perform new tasks much more efficiently than finetuned models, raising the possibility of scene understanding in the interactive assistant regime.
Prediction and Control in Continual Reinforcement Learning
Authors: Nishanth Anand, Doina Precup
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Temporal difference (TD) learning is often used to update the estimate of the value function which is used by RL agents to extract useful policies. In this paper, we focus on value function estimation in continual reinforcement learning. We propose to decompose the value function into two components which update at different timescales: a permanent value function, which holds general knowledge that persists over time, and a transient value function, which allows quick adaptation to new situations. We establish theoretical results showing that our approach is well suited for continual learning and draw connections to the complementary learning systems (CLS) theory from neuroscience. Empirically, this approach improves performance significantly on both prediction and control problems.
EDGI: Equivariant Diffusion for Planning with Embodied Agents
Authors: Johann Brehmer, Joey Bose, Pim de Haan, Taco S Cohen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Embodied agents operate in a structured world, often solving tasks with spatial, temporal, and permutation symmetries. Most algorithms for planning and model-based reinforcement learning (MBRL) do not take this rich geometric structure into account, leading to sample inefficiency and poor generalization. We introduce the Equivariant Diffuser for Generating Interactions (EDGI), an algorithm for MBRL and planning that is equivariant with respect to the product of the spatial symmetry group SE(3), the discrete-time translation group ℤ, and the object permutation group Sₙ. EDGI follows the Diffuser framework by Janner et al. (2022) in treating both learning a world model and planning in it as a conditional generative modeling problem, training a diffusion model on an offline trajectory dataset. We introduce a new SE(3) × ℤ × Sₙ-equivariant diffusion model that supports multiple representations. We integrate this model in a planning loop, where conditioning and classifier guidance let us softly break the symmetry for specific tasks as needed. On object manipulation and navigation tasks, EDGI is substantially more sample efficient and generalizes better across the symmetry group than non-equivariant models.
Topological RANSAC for instance verification and retrieval without fine-tuning
Authors: Guoyuan An, Ju-hyeong Seon, Inkyu An, Yuchi Huo, Sung-eui Yoon
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper presents an innovative approach to enhancing explainable image retrieval, particularly in situations where a fine-tuning set is unavailable. The widely-used SPatial verification (SP) method, despite its efficacy, relies on a spatial model and the hypothesis-testing strategy for instance recognition, leading to inherent limitations, including the assumption of planar structures and neglect of topological relations among features. To address these shortcomings, we introduce a pioneering technique that replaces the spatial model with a topological one within the RANSAC process. We propose bio-inspired saccade and fovea functions to verify the topological consistency among features, effectively circumventing the issues associated with SP's spatial model. Our experimental results demonstrate that our method significantly outperforms SP, achieving state-of-the-art performance in non-fine-tuning retrieval. Furthermore, our approach can enhance performance when used in conjunction with fine-tuned features. Importantly, our method retains high explainability and is lightweight, offering a practical and adaptable solution for a variety of real-world applications.
An Alternating Optimization Method for Bilevel Problems under the Polyak-Łojasiewicz Condition
Authors: Quan Xiao, Songtao Lu, Tianyi Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Bilevel optimization has recently regained interest owing to its applications in emerging machine learning fields such as hyperparameter optimization, meta-learning, and reinforcement learning. Recent results have shown that simple alternating (implicit) gradient-based algorithms can match the convergence rate of single-level gradient descent (GD) when addressing bilevel problems with a strongly convex lower-level objective. However, it remains unclear whether this result can be generalized to bilevel problems beyond this basic setting. In this paper, we first introduce a stationary metric for the considered bilevel problems, which generalizes the existing metric, for a nonconvex lower-level objective that satisfies the Polyak-Łojasiewicz (PL) condition. We then propose a Generalized ALternating mEthod for bilevel opTimization (GALET) tailored to BLO with convex PL LL problem and establish that GALET achieves an $\epsilon$-stationary point for the considered problem within $\tilde{\cal O}(\epsilon^{-1})$ iterations, which matches the iteration complexity of GD for single-level smooth nonconvex problems.
The Gain from Ordering in Online Learning
Authors: Vasilis Kontonis, Mingchen Ma, Christos Tzamos
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study fixed-design online learning where the learner is allowed to choose the order of the datapoints in order to minimize their regret (aka self-directed online learning).  We focus on the fundamental task of online linear regression: the learner is given a dataset $X$ with $n$ examples in $d$ dimensions and at step $t$  they select a point $x_t \in X$, predict a value $\widetilde y_t$,  and suffer loss $(\widetilde y_t - w^\ast \cdot x_t)^2$.  The goal is to design algorithms that order the examples and achieve better regret  than random- or worst-order online algorithms.For an arbitrary dataset $X$, we show that, under the Exponential Time Hypothesis, no efficient algorithm can approximate the optimal (best-order)  regret  within a factor of $d^{1/\poly(\log \log d)}$.We then show that, for structured datasets, we can bypass the above hardness result and achieve nearly optimal regret. When the examples of $X$ are drawn i.i.d.\ from the uniform distribution on the sphere, we present an algorithm based on the greedy heuristic of  selecting ``easiest'' examples first that achieves a $\log d$-approximation of the optimal regret.
Variational Annealing on Graphs for Combinatorial Optimization
Authors: Sebastian Sanokowski, Wilhelm Berghammer, Sepp Hochreiter, Sebastian Lehner
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Several recent unsupervised learning methods use probabilistic approaches to solve combinatorial optimization (CO) problems based on the assumption of statistically independent solution variables. We demonstrate that this assumption imposes performance limitations in particular on difficult problem instances. Our results corroborate that an autoregressive approach which captures statistical dependencies among solution variables yields superior performance on many popular CO problems. We introduce Subgraph Tokenization in which the configuration of a set of solution variables is represented by a single token. This tokenization technique alleviates the drawback of the long sequential sampling procedure which is inherent to autoregressive methods without sacrificing expressivity. Importantly, we theoretically motivate an annealed entropy regularization and show empirically that it is essential for efficient and stable learning.
Chasing Fairness Under Distribution Shift: A Model Weight Perturbation Approach
Authors: Zhimeng (Stephen) Jiang, Xiaotian Han, Hongye Jin, Guanchu Wang, Rui Chen, Na Zou, Xia Hu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Fairness in machine learning has attracted increasing attention in recent years. The fairness methods improving algorithmic fairness for in-distribution data may not perform well under distribution shifts. In this paper, we first theoretically demonstrate the inherent connection between distribution shift,  data perturbation, and model weight perturbation.Subsequently, we analyze the sufficient conditions to guarantee fairness (i.e., low demographic parity) for the target dataset, including fairness for the source dataset, and low prediction difference between the source and target datasets for each sensitive attribute group. Motivated by these sufficient conditions, we propose robust fairness regularization (RFR) by considering the worst case within the model weight perturbation ball for each sensitive attribute group. We evaluate the effectiveness of our proposed RFR algorithm on synthetic and real distribution shifts across various datasets. Experimental results demonstrate that RFR achieves better fairness-accuracy trade-off performance compared with several baselines. The source code is available at \url{https://github.com/zhimengj0326/RFR_NeurIPS23}.
Fast Scalable and Accurate Discovery of DAGs Using the Best Order Score Search and Grow Shrink Trees
Authors: Bryan Andrews, Joseph Ramsey, Ruben Sanchez Romero, Jazmin Camchong, Erich Kummerfeld
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Learning graphical conditional independence structures is an important machine learning problem and a cornerstone of causal discovery. However, the accuracy and execution time of learning algorithms generally struggle to scale to problems with hundreds of highly connected variables---for instance, recovering brain networks from fMRI data. We introduce the best order score search (BOSS) and grow-shrink trees (GSTs) for learning directed acyclic graphs (DAGs) in this paradigm. BOSS greedily searches over permutations of variables, using GSTs to construct and score DAGs from permutations. GSTs efficiently cache scores to eliminate redundant calculations. BOSS achieves state-of-the-art performance in accuracy and execution time, comparing favorably to a variety of combinatorial and gradient-based learning algorithms under a broad range of conditions. To demonstrate its practicality, we apply BOSS to two sets of resting-state fMRI data: simulated data with pseudo-empirical noise distributions derived from randomized empirical fMRI cortical signals and clinical data from 3T fMRI scans processed into cortical parcels. BOSS is available for use within the TETRAD project which includes Python and R wrappers.
Bayesian Active Causal Discovery with Multi-Fidelity Experiments
Authors: Zeyu Zhang, Chaozhuo Li, Xu Chen, Xing Xie
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper studies the problem of active causal discovery when the experiments can be done based on multi-fidelity oracles, where higher fidelity experiments are more precise and expensive, while the lower ones are cheaper but less accurate. In this paper, we formally define the task of multi-fidelity active causal discovery, and design a probabilistic model for solving this problem. In specific, we first introduce a mutual-information based acquisition function to determine which variable should be intervened at which fidelity, and then a cascading model is proposed to capture the correlations between different fidelity oracles. Beyond the above basic framework, we also extend it to the batch intervention scenario. We find that the theoretical foundations behind the widely used and efficient greedy method do not hold in our problem. To solve this problem, we introduce a new concept called $\epsilon$-submodular, and design a constraint based fidelity model to theoretically validate the greedy method. We conduct extensive experiments to demonstrate the effectiveness of our model.
Meta-Learning with Neural Bandit Scheduler
Authors: Yunzhe Qi, Yikun Ban, Tianxin Wei, Jiaru Zou, Huaxiu Yao, Jingrui He
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Meta-learning has been proven an effective learning paradigm for training machine learning models with good generalization ability. Apart from the common practice of uniformly sampling the meta-training tasks, existing methods working on task scheduling strategies are mainly based on pre-defined sampling protocols or the assumed task-model correlations, and greedily make scheduling decisions, which can lead to sub-optimal performance bottlenecks of the meta-model. In this paper, we propose a novel task scheduling framework under Contextual Bandits settings, named BASS, which directly optimizes the task scheduling strategy based on the status of the meta-model. By balancing the exploitation and exploration in meta-learning task scheduling, BASS can help tackle the challenge of limited knowledge about the task distribution during the early stage of meta-training, while simultaneously exploring potential benefits for forthcoming meta-training iterations through an adaptive exploration strategy. Theoretical analysis and extensive experiments are presented to show the effectiveness of our proposed framework.
ClusterFomer: Clustering As A Universal Visual Learner
Authors: James Liang, Yiming Cui, Qifan Wang, Tong Geng, Wenguan Wang, Dongfang Liu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper presents ClusterFormer, a universal vision model that is based on the Clustering paradigm with TransFormer. It comprises two novel designs: 1) recurrent cross-attention clustering, which reformulates the cross-attention mechanism in Transformer and enables recursive updates of cluster centers to facilitate strong representation learning; and 2) feature dispatching, which uses the updated cluster centers to redistribute image features through similarity-based metrics, resulting in a transparent pipeline. This elegant design streamlines an explainable and transferable workflow, capable of tackling heterogeneous vision tasks (i.e., image classification, object detection, and image segmentation) with varying levels of clustering granularity (i.e., image-, box-, and pixel-level). Empirical results demonstrate that ClusterFormer outperforms various well-known specialized architectures, achieving 83.41% top-1 acc. over ImageNet-1K for image classification, 54.2% and 47.0% mAP over MS COCO for object detection and instance segmentation, 52.4% mIoU over ADE20K for semantic segmentation, and 55.8% PQ over COCO Panoptic for panoptic segmentation. This work aims to initiate a paradigm shift in universal visual understanding and to benefit the broader field.
Spike-driven Transformer
Authors: Man Yao, JiaKui Hu, Zhaokun Zhou, Li Yuan, Yonghong Tian, Bo Xu, Guoqi Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Spiking Neural Networks (SNNs) provide an energy-efficient deep learning option due to their unique spike-based event-driven (i.e., spike-driven) paradigm. In this paper, we incorporate the spike-driven paradigm into Transformer by the proposed Spike-driven Transformer with four unique properties: (1) Event-driven, no calculation is triggered when the input of Transformer is zero; (2) Binary spike communication, all matrix multiplications associated with the spike matrix can be transformed into sparse additions; (3) Self-attention with linear complexity at both token and channel dimensions; (4) The operations between spike-form Query, Key, and Value are mask and addition. Together, there are only sparse addition operations in the Spike-driven Transformer. To this end, we design a novel Spike-Driven Self-Attention (SDSA), which exploits only mask and addition operations without any multiplication, and thus having up to $87.2\times$ lower computation energy than vanilla self-attention. Especially in SDSA, the matrix multiplication between Query, Key, and Value is designed as the mask operation. In addition, we rearrange all residual connections in the vanilla Transformer before the activation functions to ensure that all neurons transmit binary spike signals. It is shown that the Spike-driven Transformer can achieve 77.1\% top-1 accuracy on ImageNet-1K, which is the state-of-the-art result in the SNN field.
Dis-inhibitory neuronal circuits can control the sign of synaptic plasticity
Authors: Julian Rossbroich, Friedemann Zenke
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: How neuronal circuits achieve credit assignment remains a central unsolved question in systems neuroscience. Various studies have suggested plausible solutions for back-propagating error signals through multi-layer networks. These purely functionally motivated models assume distinct neuronal compartments to represent local error signals that determine the sign of synaptic plasticity. However, this explicit error modulation is inconsistent with phenomenological plasticity models in which the sign depends primarily on postsynaptic activity. Here we show how a plausible microcircuit model and Hebbian learning rule derived within an adaptive control theory framework can resolve this discrepancy. Assuming errors are encoded in top-down dis-inhibitory synaptic afferents, we show that error-modulated learning emerges naturally at the circuit level when recurrent inhibition explicitly influences Hebbian plasticity. The same learning rule accounts for experimentally observed plasticity in the absence of inhibition and performs comparably to back-propagation of error (BP) on several non-linearly separable benchmarks. Our findings bridge the gap between functional and experimentally observed plasticity rules and make concrete predictions on inhibitory modulation of excitatory plasticity.
Accelerated Zeroth-order Method for Non-Smooth Stochastic Convex Optimization Problem with Infinite Variance
Authors: Nikita Kornilov, Ohad Shamir, Aleksandr Lobanov, Darina Dvinskikh, Alexander Gasnikov, Innokentiy Shibaev, Eduard Gorbunov, Samuel Horváth
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this paper, we consider non-smooth stochastic convex optimization with two function evaluations per round under infinite noise variance. In the classical setting when noise has finite variance, an optimal algorithm, built upon the batched accelerated gradient method, was proposed in (Gasnikov et. al., 2022). This optimality is defined in terms of iteration and oracle complexity, as well as the maximal admissible level of adversarial noise. However, the assumption of finite variance is burdensome and it might not hold in many practical scenarios. To address this, we demonstrate how to adapt a refined clipped version of the accelerated gradient (Stochastic Similar Triangles) method from (Sadiev et al., 2023) for a two-point zero-order oracle. This adaptation entails extending the batching technique to accommodate infinite variance — a non-trivial task that stands as a distinct contribution of this paper.
Generator Identification for Linear SDEs with Additive and Multiplicative Noise
Authors: Yuanyuan Wang, Xi Geng, Wei Huang, Biwei Huang, Mingming Gong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this paper, we present conditions for identifying the generator of a linear stochastic differential equation (SDE) from the distribution of its solution process with a given fixed initial state. These identifiability conditions are crucial in causal inference using linear SDEs as they enable the identification of the post-intervention distributions from its observational distribution. Specifically, we derive a sufficient and necessary condition for identifying the generator of linear SDEs with additive noise, as well as a sufficient condition for identifying the generator of linear SDEs with multiplicative noise. We show that the conditions derived for both types of SDEs are generic. Moreover, we offer geometric interpretations of the derived identifiability conditions to enhance their understanding. To validate our theoretical results, we perform a series of simulations, which support and substantiate the established findings.
Post-processing Private Synthetic Data for Improving Utility on Selected Measures
Authors: Hao Wang, Shivchander Sudalairaj, John Henning, Kristjan Greenewald, Akash Srivastava
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Existing private synthetic data generation algorithms are agnostic to downstream tasks. However, end users may have specific requirements that the synthetic data must satisfy. Failure to meet these requirements could significantly reduce the utility of the data for downstream use. We introduce a post-processing technique that improves the utility of the synthetic data with respect to measures selected by the end user, while preserving strong privacy guarantees and dataset quality. Our technique involves resampling from the synthetic data to filter out samples that do not meet the selected utility measures, using an efficient stochastic first-order algorithm to find optimal resampling weights. Through comprehensive numerical experiments, we demonstrate that our approach consistently improves the utility of synthetic data across multiple benchmark datasets and state-of-the-art synthetic data generation algorithms.
A Bayesian Approach To Analysing Training Data Attribution In Deep Learning
Authors: Elisa Nguyen, Minjoon Seo, Seong Joon Oh
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Training data attribution (TDA) techniques find influential training data for the model's prediction on the test data of interest. They approximate the impact of down- or up-weighting a particular training sample. While conceptually useful, they are hardly applicable to deep models in practice, particularly because of their sensitivity to different model initialisation. In this paper, we introduce a Bayesian perspective on the TDA task, where the learned model is treated as a Bayesian posterior and the TDA estimates as random variables. From this novel viewpoint, we observe that the influence of an individual training sample is often overshadowed by the noise stemming from model initialisation and SGD batch composition. Based on this observation, we argue that TDA can only be reliably used for explaining deep model predictions that are consistently influenced by certain training data, independent of other noise factors. Our experiments demonstrate the rarity of such noise-independent training-test data pairs but confirm their existence. We recommend that future researchers and practitioners trust TDA estimates only in such cases. Further, we find a disagreement between ground truth and estimated TDA distributions and encourage future work to study this gap. Code is provided at https://github.com/ElisaNguyen/bayesian-tda.
GPEX, A Framework For Interpreting Artificial Neural Networks
Authors: Amir Hossein Hosseini Akbarnejad, Gilbert Bigras, Nilanjan Ray
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The analogy between Gaussian processes (GPs) and deep artificial neural networks (ANNs) has received a lot of interest, and has shown promise to unbox the blackbox of deep ANNs. Existing theoretical works put strict assumptions on the ANN (e.g. requiring all intermediate layers to be wide, or using specific activation functions). Accommodating those theoretical assumptions is hard in recent deep architectures, and those theoretical conditions need refinement as new deep architectures emerge. In this paper we derive an evidence lower-bound that encourages the GP's posterior to match the ANN's output without any requirement on the ANN. Using our method we find out that on 5 datasets, only a subset of those theoretical assumptions are sufficient. Indeed, in our experiments we used  a normal ResNet-18 or feed-forward backbone with a single wide layer in the end. One limitation of training GPs is the lack of scalability with respect to the number of inducing points. We use novel computational techniques that allow us to train GPs with hundreds of thousands of inducing points and with GPU acceleration. As shown in our experiments, doing so has been essential to get a close match between the GPs and the ANNs on 5 datasets. We implement our method as a publicly available tool called GPEX: https://github.com/amirakbarnejad/gpex. On 5 datasets (4 image datasets, and 1 biological dataset) and ANNs with 2 types of functionality (classifier or attention-mechanism) we were able to find GPs whose outputs closely match those of the corresponding ANNs. After matching the GPs to the ANNs, we used the GPs' kernel functions to explain the ANNs' decisions. We provide more than 200 explanations (around 30 in the paper and the rest in the supplementary) which are highly interpretable by humans and show the ability of the obtained GPs to unbox the ANNs' decisions.
On the Trade-off of Intra-/Inter-class Diversity for Supervised Pre-training
Authors: Jieyu Zhang, Bohan Wang, Zhengyu Hu, Pang Wei W Koh, Alexander J Ratner
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Pre-training datasets are critical for building state-of-the-art machine learning models, motivating rigorous study on their impact on downstream tasks. In this work, we study the impact of the trade-off between the intra-class diversity (the number of samples per class) and the inter-class diversity (the number of classes) of a supervised pre-training dataset. Empirically, we found that with the size of the pre-training dataset fixed, the best downstream performance comes with a balance on the intra-/inter-class diversity. To understand the underlying mechanism, we show theoretically that the downstream performance depends monotonically on both types of diversity. Notably, our theory reveals that the optimal class-to-sample ratio (#classes / #samples per class) is invariant to the size of the pre-training dataset, which motivates an application of predicting the optimal number of pre-training classes. We demonstrate the effectiveness of this application by an improvement of around 2 points on the downstream tasks when using ImageNet as the pre-training dataset.
An information-theoretic quantification of the content of communication between brain regions
Authors: Marco Celotto, Jan Bím, Alejandro Tlaie, Vito De Feo, Alessandro Toso, Stefan Lemke, Daniel Chicharro, Hamed Nili, Malte Bieler, Ileana Hanganu-Opatz, Tobias Donner, Andrea Brovelli, Stefano Panzeri
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Quantifying the amount, content and direction of communication between brain regions is key to understanding brain function. Traditional methods to analyze brain activity based on the Wiener-Granger causality principle quantify the overall information propagated by neural activity between simultaneously recorded brain regions, but do not reveal the information flow about specific features of interest (such as sensory stimuli). Here, we develop a new information theoretic measure termed Feature-specific Information Transfer (FIT), quantifying how much information about a specific feature flows between two regions. FIT merges the Wiener-Granger causality principle with information-content specificity. We first derive FIT and prove analytically its key properties. We then illustrate and test them with simulations of neural activity, demonstrating that FIT identifies, within the total information propagated between regions, the information that is transmitted about specific features. We then analyze three neural datasets obtained with different recording methods, magneto- and electro-encephalography, and spiking activity, to demonstrate the ability of FIT to uncover the content and direction of information flow between brain regions beyond what can be discerned with traditional analytical methods. FIT can improve our understanding of how brain regions communicate by uncovering previously unaddressed feature-specific information flow.
Efficient Sampling of Stochastic Differential Equations with Positive Semi-Definite Models
Authors: Anant Raj, Umut Simsekli, Alessandro Rudi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper deals with the problem of efficient sampling from a stochastic differential equation, given the drift function and the diffusion matrix. The proposed approach leverages a recent model for probabilities (Rudi and Ciliberto, 2021) (the positive semi-definite -- PSD model) from which it is possible to obtain independent and identically distributed (i.i.d.) samples at precision $\varepsilon$ with a cost that is $m^2 d \log(1/\varepsilon)$ where $m$ is the dimension of the model, $d$ the dimension of the space. The proposed approach consists in: first, computing the PSD model that satisfies the Fokker-Planck equation (or its fractional variant) associated with the SDE, up to error $\varepsilon$, and then sampling from the resulting PSD model. Assuming some regularity of the Fokker-Planck solution (i.e. $\beta$-times differentiability plus some geometric condition on its zeros) We obtain an algorithm that: (a) in the preparatory phase obtains a PSD model with L2 distance $\varepsilon$ from the solution of the equation, with a model of dimension $m = \varepsilon^{-(d+1)/(\beta-2s)} (\log(1/\varepsilon))^{d+1}$ where $1/2\leq s\leq1$ is the fractional power to the Laplacian, and total computational complexity of $O(m^{3.5} \log(1/\varepsilon))$ and then (b) for Fokker-Planck equation, it is able to produce i.i.d.\ samples with error $\varepsilon$ in Wasserstein-1 distance, with a cost that is $O(d \varepsilon^{-2(d+1)/\beta-2} \log(1/\varepsilon)^{2d+3})$ per sample. This means that, if the probability associated with the SDE is somewhat regular, i.e. $\beta \geq 4d+2$, then the algorithm requires $O(\varepsilon^{-0.88} \log(1/\varepsilon)^{4.5d})$ in the preparatory phase, and $O(\varepsilon^{-1/2}\log(1/\varepsilon)^{2d+2})$ for each sample. Our results suggest that as the true solution gets smoother, we can circumvent the curse of dimensionality without requiring any sort of convexity.
TopoSRL: Topology preserving self-supervised Simplicial Representation Learning
Authors: Hiren Madhu, Sundeep Prabhakar Chepuri
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this paper, we introduce $\texttt{TopoSRL}$, a novel self-supervised learning (SSL) method for simplicial complexes to effectively capture higher-order interactions and preserve topology in the learned representations. $\texttt{TopoSRL}$ addresses the limitations of existing graph-based SSL methods that typically concentrate on pairwise relationships, neglecting long-range dependencies crucial to capture topological information. We propose a new simplicial augmentation technique that generates two views of the simplicial complex that enriches the representations while being efficient. Next, we propose a new simplicial contrastive loss function that contrasts the generated simplices to preserve local and global information present in the simplicial complexes. Extensive experimental results demonstrate the superior performance of $\texttt{TopoSRL}$ compared to state-of-the-art graph SSL techniques and supervised simplicial neural models across various datasets corroborating the efficacy of $\texttt{TopoSRL}$ in processing simplicial complex data in a self-supervised setting.
Occ3D: A Large-Scale 3D Occupancy Prediction Benchmark for Autonomous Driving
Authors: Xiaoyu Tian, Tao Jiang, Longfei Yun, Yucheng Mao, Huitong Yang, Yue Wang, Yilun Wang, Hang Zhao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Robotic perception requires the modeling of both 3D geometry and semantics. Existing methods typically focus on estimating 3D bounding boxes, neglecting finer geometric details and struggling to handle general, out-of-vocabulary objects. 3D occupancy prediction, which estimates the detailed occupancy states and semantics of a scene, is an emerging task to overcome these limitations.To support 3D occupancy prediction, we develop a label generation pipeline that produces dense, visibility-aware labels for any given scene. This pipeline comprises three stages: voxel densification, occlusion reasoning, and image-guided voxel refinement. We establish two benchmarks, derived from the Waymo Open Dataset and the nuScenes Dataset, namely Occ3D-Waymo and Occ3D-nuScenes benchmarks. Furthermore, we provide an extensive analysis of the proposed dataset with various baseline models. Lastly, we propose a new model, dubbed Coarse-to-Fine Occupancy (CTF-Occ) network, which demonstrates superior performance on the Occ3D benchmarks.The code, data, and benchmarks are released at \url{https://tsinghua-mars-lab.github.io/Occ3D/}.
ProteinGym: Large-Scale Benchmarks for Protein Fitness Prediction and Design
Authors: Pascal Notin, Aaron Kollasch, Daniel Ritter, Lood van Niekerk, Steffanie Paul, Han Spinner, Nathan Rollins, Ada Shaw, Rose Orenbuch, Ruben Weitzman, Jonathan Frazer, Mafalda Dias, Dinko Franceschi, Yarin Gal, Debora Marks
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Predicting the effects of mutations in proteins is critical to many applications, from understanding genetic disease to designing novel proteins to address our most pressing challenges in climate, agriculture and healthcare. Despite an increase in machine learning-based protein modeling methods, assessing their effectiveness is problematic due to the use of distinct, often contrived, experimental datasets and variable performance across different protein families. Addressing these challenges requires scale. To that end we introduce ProteinGym v1.0, a large-scale and holistic set of benchmarks specifically designed for protein fitness prediction and design. It encompasses both a broad collection of over 250 standardized deep mutational scanning assays, spanning millions of mutated sequences, as well as curated clinical datasets providing high-quality expert annotations about mutation effects. We devise a robust evaluation framework that combines metrics for both fitness prediction and design, factors in known limitations of the underlying experimental methods, and covers both zero-shot and supervised settings. We report the performance of a diverse set of over 40 high-performing models from various subfields (eg., mutation effects, inverse folding) into a unified benchmark. We open source the corresponding codebase, datasets, MSAs, structures, predictions and develop a user-friendly website that facilitates comparisons across all settings.
On the spectral bias of two-layer linear networks
Authors: Aditya Vardhan Varre, Maria-Luiza Vladarean, Loucas PILLAUD-VIVIEN, Nicolas Flammarion
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper studies the behaviour of two-layer fully connected networks with linear activations trained with gradient flow on the square loss. We show how the optimization process carries an implicit bias on the parameters that depends on the scale of its initialization.  The main result of the paper is a variational characterization of the loss minimizers retrieved by the gradient flow for a specific initialization shape. This characterization reveals that, in the small scale initialization regime, the linear neural network's hidden layer is biased toward having a low-rank structure. To complement our results, we showcase a hidden mirror flow that tracks the dynamics of the singular values of the weights matrices and describe their time evolution. We support our findings with numerical experiments illustrating the phenomena.
GMSF: Global Matching Scene Flow
Authors: Yushan Zhang, Johan Edstedt, Bastian Wandt, Per-Erik Forssen, Maria Magnusson, Michael Felsberg
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We tackle the task of scene flow estimation from point clouds. Given a source and a target point cloud, the objective is to estimate a translation from each point in the source point cloud to the target, resulting in a 3D motion vector field. Previous dominant scene flow estimation methods require complicated coarse-to-fine or recurrent architectures as a multi-stage refinement. In contrast, we propose a significantly simpler single-scale one-shot global matching to address the problem. Our key finding is that reliable feature similarity between point pairs is essential and sufficient to estimate accurate scene flow. We thus propose to decompose the feature extraction step via a hybrid local-global-cross transformer architecture which is crucial to accurate and robust feature representations. Extensive experiments show that the proposed Global Matching Scene Flow (GMSF) sets a new state-of-the-art on multiple scene flow estimation benchmarks. On FlyingThings3D, with the presence of occlusion points, GMSF reduces the outlier percentage from the previous best performance of 27.4% to 5.6%. On KITTI Scene Flow, without any fine-tuning, our proposed method shows state-of-the-art performance. On the Waymo-Open dataset, the proposed method outperforms previous methods by a large margin. The code is available at https://github.com/ZhangYushan3/GMSF.