mtybilly/Instruct2DS huggingface dataset:
Efficient Training of Energy-Based Models Using Jarzynski Equality
Authors: Davide Carbone, Mengjian Hua, Simon Coste, Eric Vanden-Eijnden
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Energy-based models (EBMs) are generative models inspired by statistical physics with a wide range of applications in unsupervised learning.  Their performance is well measured by the cross-entropy (CE) of the model distribution relative to the data distribution. Using the CE as the objective for training is however challenging because the computation of its gradient with respect to the model parameters requires sampling the model distribution. Here we show how results for nonequilibrium thermodynamics based on Jarzynski equality together with tools from sequential Monte-Carlo sampling can be used to perform this computation efficiently and avoid the uncontrolled approximations made using the standard contrastive divergence algorithm.  Specifically, we introduce a modification of the unadjusted Langevin algorithm (ULA) in which each walker acquires a  weight that enables the estimation of the gradient of the cross-entropy at any step during GD, thereby bypassing sampling biases induced by slow mixing of ULA. We illustrate these results with numerical experiments on Gaussian mixture distributions as well as the MNIST and CIFAR-10 datasets. We show that the proposed approach outperforms  methods based on the contrastive divergence algorithm in all the considered situations.
High Precision Causal Model Evaluation with Conditional Randomization
Authors: Chao Ma, Cheng Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The gold standard for causal model evaluation involves comparing model predictions with true effects estimated from randomized controlled trials (RCT). However, RCTs are not always feasible or ethical to perform. In contrast, conditionally randomized experiments based on inverse probability weighting (IPW) offer a more realistic approach but may suffer from high estimation variance. To tackle this challenge and enhance causal model evaluation in real-world conditional randomization settings, we introduce a novel low-variance estimator for causal error, dubbed as the pairs estimator. By applying the same IPW estimator to both the model and true experimental effects, our estimator effectively cancels out the variance due to IPW and achieves a smaller asymptotic variance. Empirical studies demonstrate the improved of our estimator, highlighting its potential on achieving near-RCT performance. Our method offers a simple yet powerful solution to evaluate causal inference models in conditional randomization settings without complicated modification of the IPW estimator itself, paving the way for more robust and reliable model assessments.
Reducing Blackwell and Average Optimality to Discounted MDPs via the Blackwell Discount Factor
Authors: Julien Grand-Clément, Marek Petrik
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We introduce the Blackwell discount factor for Markov Decision Processes (MDPs). Classical objectives for MDPs include discounted, average, and Blackwell optimality. Many existing approaches to computing average-optimal policies solve for discount-optimal policies with a discount factor close to $1$, but they only work under strong or hard-to-verify assumptions on the MDP structure  such as unichain or ergodicity. We are the first to highlight the shortcomings of the classical definition of Blackwell optimality, which does not lead to simple algorithms for computing Blackwell-optimal policies and overlooks the pathological behaviors of optimal policies as regards the discount factors. To resolve this issue, in this paper, we show that when the discount factor is larger than  the Blackwell discount factor $\gamma_{\sf bw}$, all discount-optimal policies become Blackwell- and average-optimal, and we derive a general upper bound on $\gamma_{\sf bw}$. Our upper bound on $\gamma_{\sf bw}$, parametrized by the bit-size of the rewards and transition probabilities of the MDP instance, provides the first reduction from average and Blackwell optimality to discounted optimality, without any assumptions, along with new polynomial-time algorithms. Our work brings new ideas from polynomials and algebraic numbers to the analysis of MDPs. Our results also apply to robust MDPs, enabling the first algorithms to compute robust Blackwell-optimal policies.
Marginal Density Ratio for Off-Policy Evaluation in Contextual Bandits
Authors: Muhammad Faaiz Taufiq, Arnaud Doucet, Rob Cornish, Jean-Francois Ton
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Off-Policy Evaluation (OPE) in contextual bandits is crucial for assessing new policies using existing data without costly experimentation. However, current OPE methods, such as Inverse Probability Weighting (IPW) and Doubly Robust (DR) estimators, suffer from high variance, particularly in cases of low overlap between target and behaviour policies or large action and context spaces. In this paper, we introduce a new OPE estimator for contextual bandits, the Marginal Ratio (MR) estimator, which focuses on the shift in the marginal distribution of outcomes $Y$ instead of the policies themselves. Through rigorous theoretical analysis, we demonstrate the benefits of the MR estimator compared to conventional methods like IPW and DR in terms of variance reduction. Additionally, we establish a connection between the MR estimator and the state-of-the-art Marginalized Inverse Propensity Score (MIPS) estimator, proving that MR achieves lower variance among a generalized family of MIPS estimators. We further illustrate the utility of the MR estimator in causal inference settings, where it exhibits enhanced performance in estimating Average Treatment Effects (ATE). Our experiments on synthetic and real-world datasets corroborate our theoretical findings and highlight the practical advantages of the MR estimator in OPE for contextual bandits.
SPAE: Semantic Pyramid AutoEncoder for Multimodal Generation with Frozen LLMs
Authors: Lijun Yu, Yong Cheng, Zhiruo Wang, Vivek Kumar, Wolfgang Macherey, Yanping Huang, David A. Ross, Irfan A. Essa, Yonatan Bisk, Ming-Hsuan Yang, Kevin P. Murphy, Alexander Hauptmann, Lu Jiang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In this work, we introduce Semantic Pyramid AutoEncoder (SPAE) for enabling frozen LLMs to perform both understanding and generation tasks involving non-linguistic modalities such as images or videos. SPAE converts between raw pixels and interpretable lexical tokens (or words) extracted from the LLM's vocabulary. The resulting tokens capture both the rich semantic meaning and the fine-grained details needed for visual reconstruction, effectively translating the visual content into a language comprehensible to the LLM, and empowering it to perform a wide array of multimodal tasks. Our approach is validated through in-context learning experiments with frozen PaLM 2 and GPT 3.5 on a diverse set of image understanding and generation tasks.Our method marks the first successful attempt to enable a frozen LLM to generate image content while surpassing state-of-the-art performance in image understanding tasks, under the same setting, by over 25%.
Energy-based learning algorithms for analog computing: a comparative study
Authors: Benjamin Scellier, Maxence Ernoult, Jack Kendall, Suhas Kumar
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Energy-based learning algorithms have recently gained a surge of interest due to their compatibility with analog (post-digital) hardware. Existing algorithms include contrastive learning (CL), equilibrium propagation (EP) and coupled learning (CpL), all consisting in contrasting two states, and differing in the type of perturbation used to obtain the second state from the first one. However, these algorithms have never been explicitly compared on equal footing with same models and datasets, making it difficult to assess their scalability and decide which one to select in practice. In this work, we carry out a comparison of seven learning algorithms, namely CL and different variants of EP and CpL depending on the signs of the perturbations. Specifically, using these learning algorithms, we train deep convolutional Hopfield networks (DCHNs) on five vision tasks (MNIST, F-MNIST, SVHN, CIFAR-10 and CIFAR-100). We find that, while all algorithms yield comparable performance on MNIST, important differences in performance arise as the difficulty of the task increases. Our key findings reveal that negative perturbations are better than positive ones, and highlight the centered variant of EP (which uses two perturbations of opposite sign) as the best-performing algorithm. We also endorse these findings with theoretical arguments. Additionally, we establish new SOTA results with DCHNs on all five datasets, both in performance and speed. In particular, our DCHN simulations are 13.5 times faster with respect to Laborieux et al. (2021), which we achieve thanks to the use of a novel energy minimisation algorithm based on asynchronous updates, combined with reduced precision (16 bits).
Distribution Learnability and Robustness
Authors: Shai Ben-David, Alex Bie, Gautam Kamath, Tosca Lechner
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We examine the relationship between learnability and robust learnability for the problem of distribution learning.We show that learnability implies robust learnability if the adversary can only perform additive contamination (and consequently, under Huber contamination), but not if the adversary is allowed to perform subtractive contamination. Thus, contrary to other learning settings (e.g., PAC learning of function classes), realizable learnability does not imply agnostic learnability. We also explore related implications in the context of compression schemes and  differentially private learnability.
Behavior Alignment via Reward Function Optimization
Authors: Dhawal Gupta, Yash Chandak, Scott Jordan, Philip S. Thomas, Bruno C. da Silva
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Designing reward functions for efficiently guiding reinforcement learning (RL) agents toward specific behaviors is a complex task.This is challenging since it requires the identification of reward structures that are not sparse and that avoid inadvertently inducing undesirable behaviors. Naively modifying the reward structure to offer denser and more frequent feedback can lead to unintended outcomes and promote behaviors that are not aligned with the designer's intended goal. Although potential-based reward shaping is often suggested as a remedy, we systematically investigate settings where deploying it often significantly impairs performance. To address these issues, we introduce a new framework that uses a bi-level objective to learn \emph{behavior alignment reward functions}. These functions integrate auxiliary rewards reflecting a designer's heuristics and domain knowledge with the environment's primary rewards. Our approach automatically determines the most effective way to blend these types of feedback, thereby enhancing robustness against heuristic reward misspecification. Remarkably, it can also adapt an agent's policy optimization process to mitigate suboptimalities resulting from limitations and biases inherent in the underlying RL algorithms. We evaluate our method's efficacy on a diverse set of tasks, from small-scale experiments to high-dimensional control challenges. We investigate heuristic auxiliary rewards of varying quality---some of which are beneficial and others detrimental to the learning process. Our results show that our framework offers a robust and principled way to integrate designer-specified heuristics. It not only addresses key shortcomings of existing approaches but also consistently leads to high-performing solutions, even when given misaligned or poorly-specified auxiliary reward functions.
Tuning Multi-mode Token-level Prompt Alignment across Modalities
Authors: Dongsheng Wang, Miaoge Li, Xinyang Liu, MingSheng Xu, Bo Chen, Hanwang Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Advancements in prompt tuning of vision-language models have underscored their potential in enhancing open-world visual concept comprehension. However, prior works only primarily focus on single-mode (only one prompt for each modality) and holistic level (image or sentence) semantic alignment, which fails to capture the sample diversity, leading to sub-optimal prompt discovery. To address the limitation, we propose a multi-mode token-level tuning framework that leverages the optimal transportation to learn and align a set of prompt tokens across modalities. Specifically, we rely on two essential factors: 1) multi-mode prompts discovery, which guarantees diverse semantic representations, and 2) token-level alignment, which helps explore fine-grained similarity. Consequently, the similarity can be calculated as a hierarchical transportation problem between the modality-specific sets. Extensive experiments on popular image recognition benchmarks show the superior generalization and few-shot abilities of our approach. The qualitative analysis demonstrates that the learned prompt tokens have the ability to capture diverse visual concepts.
Censored Sampling of Diffusion Models Using 3 Minutes of Human Feedback
Authors: TaeHo Yoon, Kibeom Myoung, Keon Lee, Jaewoong Cho, Albert No, Ernest Ryu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Diffusion models have recently shown remarkable success in high-quality image generation. Sometimes, however, a pre-trained diffusion model exhibits partial misalignment in the sense that the model can generate good images, but it sometimes outputs undesirable images. If so, we simply need to prevent the generation of the bad images, and we call this task censoring. In this work, we present censored generation with a pre-trained diffusion model using a reward model trained on minimal human feedback. We show that censoring can be accomplished with extreme human feedback efficiency and that labels generated with a mere few minutes of human feedback are sufficient.
Timewarp: Transferable Acceleration of Molecular Dynamics by Learning Time-Coarsened Dynamics
Authors: Leon Klein, Andrew Foong, Tor Fjelde, Bruno Mlodozeniec, Marc Brockschmidt, Sebastian Nowozin, Frank Noe, Ryota Tomioka
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: *Molecular dynamics* (MD) simulation is a widely used technique to simulate molecular systems, most commonly at the all-atom resolution where equations of motion are integrated with timesteps on the order of femtoseconds ($1\textrm{fs}=10^{-15}\textrm{s}$). MD is often used to compute equilibrium properties, which requires sampling from an equilibrium distribution such as the Boltzmann distribution. However, many important processes, such as binding and folding, occur over timescales of milliseconds or beyond, and cannot be efficiently sampled with conventional MD.Furthermore, new MD simulations need to be performed for each molecular system studied.We present *Timewarp*, an enhanced sampling method which uses a normalising flow as a proposal distribution in a Markov chain Monte Carlo method targeting the Boltzmann distribution. The flow is trained offline on MD trajectories and learns to make large steps in time, simulating the molecular dynamics of $10^{5} - 10^{6} \textrm{fs}$.Crucially, Timewarp is *transferable* between molecular systems: once trained, we show that it generalises to unseen small peptides (2-4 amino acids) at all-atom resolution, exploring their metastable states and providing wall-clock acceleration of sampling compared to standard MD.Our method constitutes an important step towards general, transferable algorithms for accelerating MD.
Harnessing Hard Mixed Samples with Decoupled Regularizer
Authors: Zicheng Liu, Siyuan Li, Ge Wang, Lirong Wu, Cheng Tan, Stan Z. Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Mixup is an efficient data augmentation approach that improves the generalization of neural networks by smoothing the decision boundary with mixed data. Recently, dynamic mixup methods have improved previous \textit{static} policies effectively (e.g., linear interpolation) by maximizing target-related salient regions in mixed samples, but excessive additional time costs are not acceptable. These additional computational overheads mainly come from optimizing the mixed samples according to the mixed labels. However, we found that the extra optimizing step may be redundant because label-mismatched mixed samples are informative hard mixed samples for deep models to localize discriminative features. In this paper, we thus are not trying to propose a more complicated dynamic mixup policy but rather an efficient mixup objective function with decoupled regularizer, named decoupled mixup (DM). The primary effect is that DM can adaptively utilize those hard mixed samples to mine discriminative features without losing the original smoothness of mixup. As a result, DM enables static mixup methods to achieve comparable or even exceed the performance of dynamic methods without any extra computation. This also leads to an interesting objective design problem for mixup training that we need to focus on both smoothing the decision boundaries and identifying discriminative features. Extensive experiments on supervised and semi-supervised learning benchmarks across seven datasets validate the effectiveness of DM.
The Utility of “Even if” Semifactual Explanation to Optimise Positive Outcomes
Authors: Eoin Kenny, Weipeng Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: When users receive either a positive or negative outcome from an automated system, Explainable AI (XAI) has almost exclusively focused on how to mutate negative outcomes into positive ones by crossing a decision boundary using counterfactuals (e.g., "If you earn 2k more, we will accept your loan application"). Here, we instead focus on positive outcomes, and take the novel step of using XAI to optimise them (e.g., "Even if you wish to half your down-payment, we will still accept your loan application"). Explanations such as these that employ "even if..." reasoning, and do not cross a decision boundary, are known as semifactuals. To instantiate semifactuals in this context, we introduce the concept of Gain (i.e., how much a user stands to benefit from the explanation), and consider the first causal formalisation of semifactuals. Tests on benchmark datasets show our algorithms are better at maximising gain compared to prior work, and that causality is important in the process. Most importantly however, a user study supports our main hypothesis by showing people find semifactual explanations more useful than counterfactuals when they receive the positive outcome of a loan acceptance.
VLATTACK: Multimodal Adversarial Attacks on Vision-Language Tasks via Pre-trained Models
Authors: Ziyi Yin, Muchao Ye, Tianrong Zhang, Tianyu Du, Jinguo Zhu, Han Liu, Jinghui Chen, Ting Wang, Fenglong Ma
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Vision-Language (VL) pre-trained models have shown their superiority on many multimodal tasks. However, the adversarial robustness of such models has not been fully explored. Existing approaches mainly focus on exploring the adversarial robustness under the white-box setting, which is unrealistic. In this paper, we aim to investigate a new yet practical task to craft image and text perturbations using pre-trained VL models to attack black-box fine-tuned models on different downstream tasks. Towards this end, we propose VLATTACK to generate adversarial samples by fusing perturbations of images and texts from both single-modal and multi-modal levels. At the single-modal level, we propose a new block-wise similarity attack (BSA) strategy to learn image perturbations for disrupting universal representations. Besides, we adopt an existing text attack strategy to generate text perturbations independent of the image-modal attack. At the multi-modal level, we design a novel iterative cross-search attack (ICSA) method to update adversarial image-text pairs periodically, starting with the outputs from the single-modal level.  We conduct extensive experiments to attack three widely-used VL pretrained models for six tasks on eight datasets. Experimental results show that the proposed VLATTACK framework achieves the highest attack success rates on all tasks compared with state-of-the-art baselines, which reveals a significant blind spot in the deployment of pre-trained VL models.
Mode Connectivity in Auction Design
Authors: Christoph Hertrich, Yixin Tao, László A. Végh
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Optimal auction design is a fundamental problem in algorithmic game theory. This problem is notoriously difficult already in very simple settings. Recent work in differentiable economics showed that neural networks can efficiently learn known optimal auction mechanisms and discover interesting new ones. In an attempt to theoretically justify their empirical success, we focus on one of the first such networks, RochetNet, and a generalized version for affine maximizer auctions. We prove that they satisfy mode connectivity, i.e., locally optimal solutions are connected by a simple, piecewise linear path such that every solution on the path is almost as good as one of the two local optima. Mode connectivity has been recently investigated as an intriguing empirical and theoretically justifiable property of neural networks used for prediction problems. Our results give the first such analysis in the context of differentiable economics, where neural networks are used directly for solving non-convex optimization problems.
Katakomba: Tools and Benchmarks for Data-Driven NetHack
Authors: Vladislav Kurenkov, Alexander Nikulin, Denis Tarasov, Sergey Kolesnikov
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: NetHack is known as the frontier of reinforcement learning research where learning-based methods still need to catch up to rule-based solutions. One of the promising directions for a breakthrough is using pre-collected datasets similar to recent developments in robotics, recommender systems, and more under the umbrella of offline reinforcement learning (ORL). Recently, a large-scale NetHack dataset was released; while it was a necessary step forward, it has yet to gain wide adoption in the ORL community. In this work, we argue that there are three major obstacles for adoption: tool-wise, implementation-wise, and benchmark-wise. To address them, we develop an open-source library that provides workflow fundamentals familiar to the ORL community: pre-defined D4RL-style tasks, uncluttered baseline implementations, and reliable evaluation tools with accompanying configs and logs synced to the cloud.
Deep Neural Collapse Is Provably Optimal for the Deep Unconstrained Features Model
Authors: Peter Súkeník, Marco Mondelli, Christoph H. Lampert
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neural collapse (NC) refers to the surprising structure of the last layer of deep neural networks in the terminal phase of gradient descent training. Recently, an increasing amount of experimental evidence has pointed to the propagation of NC to earlier layers of neural networks. However, while the NC in the last layer is well studied theoretically, much less is known about its multi-layered counterpart - deep neural collapse (DNC). In particular, existing work focuses either on linear layers or only on the last two layers at the price of an extra assumption. Our work fills this gap by generalizing the established analytical framework for NC - the unconstrained features model - to multiple non-linear layers. Our key technical contribution is to show that, in a deep unconstrained features model, the unique global optimum for binary classification exhibits all the properties typical of DNC. This explains the existing experimental evidence of DNC. We also empirically show that (i) by optimizing deep unconstrained features models via gradient descent, the resulting solution agrees well with our theory, and (ii) trained networks recover the unconstrained features suitable for the occurrence of DNC, thus supporting the validity of this modeling principle.
IEBins: Iterative Elastic Bins for Monocular Depth Estimation
Authors: Shuwei Shao, Zhongcai Pei, Xingming Wu, Zhong Liu, Weihai Chen, Zhengguo Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Monocular depth estimation (MDE) is a fundamental topic of geometric computer vision and a core technique for many downstream applications. Recently, several methods reframe the MDE as a classification-regression problem where a linear combination of probabilistic distribution and bin centers is used to predict depth. In this paper, we propose a novel concept of iterative elastic bins (IEBins) for the classification-regression-based MDE. The proposed IEBins aims to search for high-quality depth by progressively optimizing the search range, which involves multiple stages and each stage performs a finer-grained depth search in the target bin on top of its previous stage. To alleviate the possible error accumulation during the iterative process, we utilize a novel elastic target bin to replace the original target bin, the width of which is adjusted elastically based on the depth uncertainty. Furthermore, we develop a dedicated framework composed of a feature extractor and an iterative optimizer that has powerful temporal context modeling capabilities benefiting from the GRU-based architecture. Extensive experiments on the KITTI, NYU-Depth-v2 and SUN RGB-D datasets demonstrate that the proposed method surpasses prior state-of-the-art competitors. The source code is publicly available at https://github.com/ShuweiShao/IEBins.
Fine-Tuning Language Models with Just Forward Passes
Authors: Sadhika Malladi, Tianyu Gao, Eshaan Nichani, Alex Damian, Jason Lee, Danqi Chen, Sanjeev Arora
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Fine-tuning language models (LMs) has yielded success on diverse downstream tasks, but as LMs grow in size, backpropagation requires a prohibitively large amount of memory. Zeroth-order (ZO) methods can in principle estimate gradients using only two forward passes but are theorized to be catastrophically slow for optimizing large models. In this work, we propose a memory-efficient zerothorder optimizer (MeZO), adapting the classical ZO-SGD method to operate in-place, thereby fine-tuning LMs with the same memory footprint as inference. For example, with a single A100 80GB GPU, MeZO can train a 30-billion parameter model, whereas fine-tuning with backpropagation can train only a 2.7B LM with the same budget. We conduct comprehensive experiments across model types (masked and autoregressive LMs), model scales (up to 66B), and downstream tasks (classification, multiple-choice, and generation). Our results demonstrate that (1) MeZO significantly outperforms in-context learning and linear probing; (2) MeZO achieves comparable performance to fine-tuning with backpropagation across multiple tasks, with up to 12× memory reduction and up to 2× GPU-hour reduction in our implementation; (3) MeZO is compatible with both full-parameter and parameter-efficient tuning techniques such as LoRA and prefix tuning; (4) MeZO can effectively optimize non-differentiable objectives (e.g., maximizing accuracy or F1). We support our empirical findings with theoretical insights, highlighting how adequate pre-training and task prompts enable MeZO to fine-tune huge models, despite classical ZO analyses suggesting otherwise.
HEDNet: A Hierarchical Encoder-Decoder Network for 3D Object Detection in Point Clouds
Authors: Gang Zhang, Chen Junnan, Guohuan Gao, Jianmin Li, Xiaolin Hu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: 3D object detection in point clouds is important for autonomous driving systems. A primary challenge in 3D object detection stems from the sparse distribution of points within the 3D scene. Existing high-performance methods typically employ 3D sparse convolutional neural networks with small kernels to extract features. To reduce computational costs, these methods resort to submanifold sparse convolutions, which prevent the information exchange among spatially disconnected features. Some recent approaches have attempted to address this problem by introducing large-kernel convolutions or self-attention mechanisms, but they either achieve limited accuracy improvements or incur excessive computational costs. We propose HEDNet, a hierarchical encoder-decoder network for 3D object detection, which leverages encoder-decoder blocks to capture long-range dependencies among features in the spatial space, particularly for large and distant objects. We conducted extensive experiments on the Waymo Open and nuScenes datasets. HEDNet achieved superior detection accuracy on both datasets than previous state-of-the-art methods with competitive efficiency. The code is available at https://github.com/zhanggang001/HEDNet.
FedGame: A Game-Theoretic Defense against Backdoor Attacks in Federated Learning
Authors: Jinyuan Jia, Zhuowen Yuan, Dinuka Sahabandu, Luyao Niu, Arezoo Rajabi, Bhaskar Ramasubramanian, Bo Li, Radha Poovendran
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Federated learning (FL) provides a distributed training paradigm where multiple clients can jointly train a global model without sharing their local data. However, recent studies have shown that FL offers an additional surface for backdoor attacks. For instance, an attacker can compromise a subset of clients and thus corrupt the global model to misclassify an input with a backdoor trigger as the adversarial target. Existing defenses for FL against backdoor attacks usually detect and exclude the corrupted information from the compromised clients based on a static attacker model. However, such defenses are inadequate against dynamic attackers who strategically adapt their attack strategies. To bridge this gap, we model the strategic interactions between the defender and dynamic attackers as a minimax game. Based on the analysis of the game, we design an interactive defense mechanism FedGame. We prove that under mild assumptions, the global model trained with FedGame under backdoor attacks is close to that trained without attacks. Empirically, we compare FedGame with multiple state-of-the-art baselines on several benchmark datasets under various attacks. We show that FedGame can effectively defend against strategic attackers and achieves significantly higher robustness than baselines. Our code is available at: https://github.com/AI-secure/FedGame.
Ensemble-based Deep Reinforcement Learning for Vehicle Routing Problems under Distribution Shift
Authors: YUAN JIANG, Zhiguang Cao, Yaoxin Wu, Wen Song, Jie Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: While performing favourably on the independent and identically distributed (i.i.d.) instances, most of the existing neural methods for vehicle routing problems (VRPs) struggle to generalize in the presence of a distribution shift. To tackle this issue, we propose an ensemble-based deep reinforcement learning method for VRPs, which learns a group of diverse sub-policies to cope with various instance distributions. In particular, to prevent convergence of the parameters to the same one, we enforce diversity across sub-policies by leveraging Bootstrap with random initialization. Moreover, we also explicitly pursue inequality between sub-policies by exploiting regularization terms during training to further enhance diversity. Experimental results show that our method is able to outperform the state-of-the-art neural baselines on randomly generated instances of various distributions, and also generalizes favourably on the benchmark instances from TSPLib and CVRPLib, which confirmed the effectiveness of the whole method and the respective designs.
Module-wise Training of Neural Networks via the Minimizing Movement Scheme
Authors: Skander Karkar, Ibrahim Ayed, Emmanuel de Bézenac, Patrick Gallinari
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Greedy layer-wise or module-wise training of neural networks is compelling in constrained and on-device settings where memory is limited, as it circumvents a number of problems of end-to-end back-propagation. However, it suffers from a stagnation problem, whereby early layers overfit and deeper layers stop increasing the test accuracy after a certain depth. We propose to solve this issue by introducing a simple module-wise regularization inspired by the minimizing movement scheme for gradient flows in distribution space. We call the method TRGL for Transport Regularized Greedy Learning and study it theoretically, proving that it leads to greedy modules that are regular and that progressively solve the task. Experimentally, we show improved accuracy of module-wise training of various architectures such as ResNets, Transformers and VGG, when our regularization is added, superior to that of other module-wise training methods and often to end-to-end training, with as much as 60% less memory usage.
POMDP Planning for Object Search in Partially Unknown Environment
Authors: Yongbo Chen, Hanna Kurniawati
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Efficiently searching for target objects in complex environments that contain various types of furniture, such as shelves, tables, and beds, is crucial for mobile robots, but it poses significant challenges due to various factors such as localization errors, limited field of view, and visual occlusion. To address this problem, we propose a Partially Observable Markov Decision Process (POMDP) formulation with a growing state space for object search in a 3D region. We solve this POMDP by carefully designing a perception module and developing a planning algorithm, called Growing Partially Observable Monte-Carlo Planning (GPOMCP), based on online Monte-Carlo tree search and belief tree reuse with a novel upper confidence bound. We have demonstrated that belief tree reuse is reasonable and achieves good performance when the belief differences are limited. Additionally, we introduce a guessed target object with an updating grid world to guide the search in the information-less and reward-less cases, like the absence of any detected objects. We tested our approach using Gazebo simulations on four scenarios of target finding in a realistic indoor living environment with the Fetch robot simulator. Compared to the baseline approaches, which are based on POMCP, our results indicate that our approach enables the robot to find the target object with a higher success rate faster while using the same computational requirements.
On the Statistical Consistency of Risk-Sensitive Bayesian Decision-Making
Authors: Prateek Jaiswal, Harsha Honnappa, Vinayak Rao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study data-driven decision-making problems in the Bayesian framework, where the expectation in the Bayes risk is replaced by a risk-sensitive entropic risk measure with respect to the posterior distribution. We focus on problems where calculating the posterior distribution is intractable, a typical situation in modern applications with large datasets and complex data generating models. We leverage a dual representation of the entropic risk measure to introduce a novel risk-sensitive variational Bayesian (RSVB) framework for jointly computing a risk-sensitive posterior approximation and the corresponding decision rule. Our general framework includes \textit{loss-calibrated} VB (Lacoste-Julien et al. [2011] ) as a special case. We also study the impact of these computational approximations on the predictive performance of the inferred decision rules. We compute the convergence rates of the RSVB approximate posterior and the corresponding optimal value. We illustrate our theoretical findings in parametric and nonparametric settings with the help of three examples.
Does Graph Distillation See Like Vision Dataset Counterpart?
Authors: Beining Yang, Kai Wang, Qingyun Sun, Cheng Ji, Xingcheng Fu, Hao Tang, Yang You, Jianxin Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Training on large-scale graphs has achieved remarkable results in graph representation learning, but its cost and storage have attracted increasing concerns. Existing graph condensation methods primarily focus on optimizing the feature matrices of condensed graphs while overlooking the impact of the structure information from the original graphs. To investigate the impact of the structure information, we conduct analysis from the spectral domain and empirically identify substantial Laplacian Energy Distribution (LED) shifts in previous works. Such shifts lead to poor performance in cross-architecture generalization and specific tasks, including anomaly detection and link prediction. In this paper, we propose a novel Structure-broadcasting Graph Dataset Distillation (\textbf{SGDD}) scheme for broadcasting the original structure information to the generation of the synthetic one, which explicitly prevents overlooking the original structure information. Theoretically, the synthetic graphs by SGDD are expected to have smaller LED shifts than previous works, leading to superior performance in both cross-architecture settings and specific tasks.We validate the proposed SGDD~across 9 datasets and achieve state-of-the-art results on all of them: for example, on YelpChi dataset, our approach maintains 98.6\% test accuracy of training on the original graph dataset with 1,000 times saving on the scale of the graph. Moreover, we empirically evaluate there exist 17.6\% $\sim$ 31.4\% reductions in LED shift crossing 9 datasets. Extensive experiments and analysis verify the effectiveness and necessity of the proposed designs. The code will be made public.
Online Learning under Adversarial Nonlinear Constraints
Authors: Pavel Kolev, Georg Martius, Michael Muehlebach
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In many applications, learning systems are required to process continuous non-stationary data streams.We study this problem in an online learning framework and propose an algorithm that can deal with adversarial time-varying and nonlinear constraints.As we show in our work, the algorithm called Constraint Violation Velocity Projection (CVV-Pro) achieves $\sqrt{T}$ regret and converges to the feasible set at a rate of $1/\sqrt{T}$, despite the fact that the feasible set is slowly time-varying and a priori unknown to the learner. CVV-Pro only relies on local sparse linear approximations of the feasible set and therefore avoids optimizing over the entire set at each iteration, which is in sharp contrast to projected gradients or Frank-Wolfe methods. We also empirically evaluate our algorithm on two-player games, where the players are subjected to a shared constraint.
Sample-Efficient and Safe Deep Reinforcement Learning via Reset Deep Ensemble Agents
Authors: Woojun Kim, Yongjae Shin, Jongeui Park, Youngchul Sung
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Deep reinforcement learning (RL) has achieved remarkable success in solving complex tasks through its integration with deep neural networks (DNNs) as function approximators. However, the reliance on DNNs has introduced a new challenge called primacy bias, whereby these function approximators tend to prioritize early experiences, leading to overfitting. To alleviate this bias, a reset method has been proposed, which involves periodic resets of a portion or the entirety of a deep RL agent while preserving the replay buffer. However, the use of this method can result in performance collapses after executing the reset, raising concerns from the perspective of safe RL and regret minimization. In this paper, we propose a novel reset-based method that leverages deep ensemble learning to address the limitations of the vanilla reset method and enhance sample efficiency. The effectiveness of the proposed method is validated through various experiments including those in the domain of safe RL. Numerical results demonstrate its potential for real-world applications requiring high sample efficiency and safety considerations.
Im-Promptu: In-Context Composition from Image Prompts
Authors: Bhishma Dedhia, Michael Chang, Jake Snell, Tom Griffiths, Niraj Jha
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Large language models are few-shot learners that can solve diverse tasks from a handful of demonstrations. This implicit understanding of tasks suggests that the attention mechanisms over word tokens may play a role in analogical reasoning. In this work, we investigate whether analogical reasoning can enable in-context composition over composable elements of visual stimuli. First, we introduce a suite of three benchmarks to test the generalization properties of a visual in-context learner. We formalize the notion of an analogy-based in-context learner and use it to design a meta-learning framework called Im-Promptu. Whereas the requisite token granularity for language is well established, the appropriate compositional granularity for enabling in-context generalization in visual stimuli is usually unspecified. To this end, we use Im-Promptu to train multiple agents with different levels of compositionality, including vector representations, patch representations, and object slots. Our experiments reveal tradeoffs between extrapolation abilities and the degree of compositionality, with non-compositional representations extending learned composition rules to unseen domains but performing poorly on combinatorial tasks. Patch-based representations require patches to contain entire objects for robust extrapolation. At the same time, object-centric tokenizers coupled with a cross-attention module generate consistent and high-fidelity solutions, with these inductive biases being particularly crucial for compositional generalization. Lastly, we demonstrate a use case of Im-Promptu as an intuitive programming interface for image generation.
Sequential Predictive Two-Sample and Independence Testing
Authors: Aleksandr Podkopaev, Aaditya Ramdas
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study the problems of sequential nonparametric two-sample and independence testing. Sequential tests process data online and allow using observed data to decide whether to stop and reject the null hypothesis or to collect more data, while maintaining type I error control. We build upon the principle of (nonparametric) testing by betting, where a gambler places bets on future observations and their wealth measures evidence against the null hypothesis. While recently developed kernel-based betting strategies often work well on simple distributions, selecting a suitable kernel for high-dimensional or structured data, such as images, is often nontrivial. To address this drawback, we design prediction-based betting strategies that rely on the following fact: if a sequentially updated predictor starts to consistently determine (a) which distribution an instance is drawn from, or (b) whether an instance is drawn from the joint distribution or the product of the marginal distributions (the latter produced by external randomization), it provides evidence against the two-sample or independence nulls respectively. We empirically demonstrate the superiority of our tests over kernel-based approaches under structured settings. Our tests can be applied beyond the case of independent and identically distributed data, remaining valid and powerful even when the data distribution drifts over time.
Towards Symmetry-Aware Generation of Periodic Materials
Authors: Youzhi Luo, Chengkai Liu, Shuiwang Ji
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of generating periodic materials with deep models. While symmetry-aware molecule generation has been studied extensively, periodic materials possess different symmetries, which have not been completely captured by existing methods.In this work, we propose SyMat, a novel material generation approach that can capture physical symmetries of periodic material structures. SyMat generates atom types and lattices of materials through generating atom type sets, lattice lengths and lattice angles with a variational auto-encoder model. In addition, SyMat employs a score-based diffusion model to generate atom coordinates of materials, in which a novel symmetry-aware probabilistic model is used in the coordinate diffusion process. We show that SyMat is theoretically invariant to all symmetry transformations on materials and demonstrate that SyMat achieves promising performance on random generation and property optimization tasks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).