GenAI4ELab/papercli-papers huggingface dataset:
Handling Data Heterogeneity via Architectural Design for Federated Visual Recognition
Authors: Sara Pieri; Jose Renato Restom; Samuel Horváth; Hisham Cholakkal
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Federated Learning (FL) is a promising research paradigm that enables the collaborative training of machine learning models among various parties without the need for sensitive information exchange. Nonetheless, retaining data in individual clients introduces fundamental challenges to achieving performance on par with centrally trained models. Our study provides an extensive review of federated learning applied to visual recognition. It underscores the critical role of thoughtful architectural design choices in achieving optimal performance, a factor often neglected in the FL literature. Many existing FL solutions are tested on shallow or simple networks, which may not accurately reflect real-world applications. This practice restricts the transferability of research findings to large-scale visual recognition models. Through an in-depth analysis of diverse cutting-edge architectures such as convolutional neural networks, transformers, and MLP-mixers,  we experimentally demonstrate that architectural choices can substantially enhance FL systems' performance, particularly when handling heterogeneous data.  We study visual recognition models from five different architectural families on four challenging FL datasets. We also re-investigate the inferior performance convolution-based architectures in the FL setting and analyze the influence of normalization layers on the FL performance. Our findings emphasize the importance of architectural design for computer vision tasks in practical scenarios, effectively narrowing the performance gap between federated and centralized learning.
DiffAttack: Evasion Attacks Against Diffusion-Based Adversarial Purification
Authors: Mintong Kang; Dawn Song; Bo Li
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Diffusion-based purification defenses leverage diffusion models to remove crafted perturbations of adversarial examples and achieve state-of-the-art robustness. Recent studies show that even advanced attacks cannot break such defenses effectively, since the purification process induces an extremely deep computational graph which poses the potential problem of gradient obfuscation, high memory cost, and unbounded randomness. In this paper, we propose a unified framework DiffAttack to perform effective and efficient attacks against diffusion-based purification defenses, including both DDPM and score-based approaches. In particular, we propose a deviated-reconstruction loss at intermediate diffusion steps to induce inaccurate density gradient estimation to tackle the problem of vanishing/exploding gradients. We also provide a segment-wise forwarding-backwarding algorithm, which leads to memory-efficient gradient backpropagation. We validate the attack effectiveness of DiffAttack compared with existing adaptive attacks on CIFAR-10 and ImageNet. We show that DiffAttack decreases the robust accuracy of models compared with SOTA attacks by over 20\% on CIFAR-10 under $\ell_\infty$ attack $(\epsilon=8/255)$, and over 10\% on ImageNet under $\ell_\infty$ attack $(\epsilon=4/255)$. We conduct a series of ablations studies, and we find 1) DiffAttack with the deviated-reconstruction loss added over uniformly sampled time steps is more effective than that added over only initial/final steps, and 2) diffusion-based purification with a moderate diffusion length is more robust under DiffAttack.
Reversible and irreversible bracket-based dynamics for deep graph neural networks
Authors: Anthony Gruber; Kookjin Lee; Nathaniel Trask
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Recent works have shown that physics-inspired architectures allow the training of deep graph neural networks (GNNs) without oversmoothing. The role of these physics is unclear, however, with successful examples of both reversible (e.g., Hamiltonian) and irreversible (e.g., diffusion) phenomena producing comparable results despite diametrically opposed mechanisms, and further complications arising due to empirical departures from mathematical theory. This work presents a series of novel GNN architectures based upon structure-preserving bracket-based dynamical systems, which are provably guaranteed to either conserve energy or generate positive dissipation with increasing depth.  It is shown that the theoretically principled framework employed here allows for inherently explainable constructions, which contextualize departures from theory in current architectures and better elucidate the roles of reversibility and irreversibility in network performance. Code is available at the Github repository \url{https://github.com/natrask/BracketGraphs}.
UP-NeRF: Unconstrained Pose Prior-Free Neural Radiance Field
Authors: Injae Kim; Minhyuk Choi; Hyunwoo J. Kim
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Neural Radiance Field (NeRF) has enabled novel view synthesis with high fidelity given images and camera poses. Subsequent works even succeeded in eliminating the necessity of pose priors by jointly optimizing NeRF and camera pose. However, these works are limited to relatively simple settings such as photometrically consistent and occluder-free image collections or a sequence of images from a video. So they have difficulty handling unconstrained images with varying illumination and transient occluders. In this paper, we propose **UP-NeRF** (**U**nconstrained **P**ose-prior-free **Ne**ural **R**adiance **F**ields) to optimize NeRF with unconstrained image collections without camera pose prior. We tackle these challenges with surrogate tasks that optimize color-insensitive feature fields and a separate module for transient occluders to block their influence on pose estimation. In addition, we introduce a candidate head to enable more robust pose estimation and transient-aware depth supervision to minimize the effect of incorrect prior. Our experiments verify the superior performance of our method compared to the baselines including BARF and its variants in a challenging internet photo collection, *Phototourism dataset*. The code of UP-NeRF is available at https://github.com/mlvlab/UP-NeRF.
Stable Vectorization of Multiparameter Persistent Homology using Signed Barcodes as Measures
Authors: David Loiseaux; Luis Scoccola; Mathieu Carrière; Magnus Bakke Botnan; Steve Oudot
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Persistent homology (PH) provides  topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case---where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest---and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes---a recent family of MPH descriptors---as signed Radon measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.
Training on Foveated Images Improves Robustness to Adversarial Attacks
Authors: Muhammad A Shah; Aqsa Kashaf; Bhiksha Raj
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Deep neural networks (DNNs) have been shown to be vulnerable to adversarial attacks
-- subtle,  perceptually indistinguishable perturbations of inputs that change the response of the model. In the context of vision, we hypothesize that an important contributor to the robustness of human visual perception is constant exposure to low-fidelity visual stimuli in our peripheral vision. To investigate this hypothesis, we develop RBlur, an image transform that simulates the loss in fidelity of peripheral vision by blurring the image and reducing its color saturation based on the distance from a given fixation point. We show that compared to DNNs trained on the original images, DNNs trained on images transformed by RBlur are substantially more robust to adversarial attacks, as well as other, non-adversarial, corruptions, achieving up to 25% higher accuracy on perturbed data.
Towards Combinatorial Generalization for Catalysts: A Kohn-Sham Charge-Density Approach
Authors: Phil Pope; David Jacobs
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: The Kohn-Sham equations underlie many important applications such as the discovery of new catalysts. Recent machine learning work on catalyst modeling has focused on prediction of the energy, but has so far not yet demonstrated significant out-of-distribution generalization. Here we investigate another approach based on the pointwise learning of the Kohn-Sham charge-density. On a new dataset of bulk catalysts with charge densities, we show density models can generalize to new structures with combinations of elements not seen at train time, a form of combinatorial generalization. We show that over 80% of binary and ternary test cases achieve faster convergence than standard baselines in Density Functional Theory, amounting to an average reduction of 13% in the number of iterations required to reach convergence, which may be of independent interest. Our results suggest that density learning is a viable alternative, trading greater inference costs for a step towards combinatorial generalization, a key property for applications.
Wasserstein Quantum Monte Carlo: A Novel Approach for Solving the Quantum Many-Body Schrödinger Equation
Authors: Kirill Neklyudov; Jannes Nys; Luca Thiede; Juan Felipe Carrasquilla Alvarez; qiang liu; Max Welling; Alireza Makhzani
Venue: NeurIPS 2023 (NeurIPS 2023 spotlight)

Abstract: Solving the quantum many-body Schrödinger equation is a fundamental and challenging problem in the fields of quantum physics, quantum chemistry, and material sciences. One of the common computational approaches to this problem is Quantum Variational Monte Carlo (QVMC), in which ground-state solutions are obtained by minimizing the energy of the system within a restricted family of parameterized wave functions. Deep learning methods partially address the limitations of traditional QVMC by representing a rich family of wave functions in terms of neural networks. However, the optimization objective in QVMC remains notoriously hard to minimize and requires second-order optimization methods such as natural gradient. In this paper, we first reformulate energy functional minimization in the space of Born distributions corresponding to particle-permutation (anti-)symmetric wave functions, rather than the space of wave functions. We then interpret QVMC as the Fisher--Rao gradient flow in this distributional space, followed by a projection step onto the variational manifold. This perspective provides us with a principled framework to derive new QMC algorithms, by endowing the distributional space with better metrics, and following the projected gradient flow induced by those metrics. More specifically, we propose "Wasserstein Quantum Monte Carlo" (WQMC), which uses the gradient flow induced by the Wasserstein metric, rather than the Fisher--Rao metric, and corresponds to *transporting* the probability mass, rather than *teleporting* it. We demonstrate empirically that the dynamics of WQMC results in faster convergence to the ground state of molecular systems.
A Theory of Link Prediction via Relational Weisfeiler-Leman on Knowledge Graphs
Authors: Xingyue Huang; Miguel Romero Orth; Ismail Ilkan Ceylan; Pablo Barcelo
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Graph neural networks are prominent models for representation learning over graph-structured data. While the capabilities and limitations of these models are well-understood for simple graphs, our understanding remains incomplete in the context of knowledge graphs. Our goal is to provide a systematic understanding of the landscape of graph neural networks for knowledge graphs pertaining to the prominent task of link prediction. Our analysis entails a unifying perspective on seemingly unrelated models and unlocks a series of other models. The expressive power of various models is characterized via a corresponding relational Weisfeiler-Leman algorithm. 
This analysis is extended to provide a precise logical characterization of the class of functions captured by a class of graph neural networks. The theoretical findings presented in this paper explain the benefits of some widely employed practical design choices, which are validated empirically.
Creating a Public Repository for Joining Private Data
Authors: James Cook; Milind Shyani; Nina Mishra
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: How can one publish a dataset with sensitive attributes in a way that both preserves privacy and enables joins with other datasets on those same sensitive attributes? This problem arises in many contexts, e.g., a hospital and an airline may want to jointly determine whether people who take long-haul flights are more likely to catch respiratory infections. If they join their data by a common keyed user identifier such as email address, they can determine the answer, though it breaks privacy.  This paper shows how the hospital can generate a private sketch and how the airline can privately join with the hospital's sketch by email address. The proposed solution satisfies pure differential privacy and gives approximate answers to linear queries and optimization problems over those joins. Whereas prior work such as secure function evaluation requires sender/receiver interaction, a distinguishing characteristic of the proposed approach is that it is non-interactive. Consequently, the sketch can be published to a repository for any organization to join with, facilitating data discovery. The accuracy of the method is demonstrated through both theoretical analysis and extensive empirical evidence.
Can semi-supervised learning use all the data effectively? A lower bound perspective
Authors: Alexandru Tifrea; Gizem Yüce; Amartya Sanyal; Fanny Yang
Venue: NeurIPS 2023 (NeurIPS 2023 spotlight)

Abstract: Prior theoretical and empirical works have established that semi-supervised learning algorithms can leverage the unlabeled data to improve over the labeled sample complexity of supervised learning (SL) algorithms. However, existing theoretical work focuses on regimes where the unlabeled data is sufficient to learn a good decision boundary using unsupervised learning (UL) alone. This begs the question: Can SSL algorithms simultaneously improve upon both UL and SL? To this end, we derive a tight lower bound for 2-Gaussian mixture models that explicitly depends on the labeled and the unlabeled dataset size as well as the signal-to-noise ratio of the mixture distribution. Surprisingly, our result implies that no SSL algorithm improves upon the minimax-optimal statistical error rates of SL or UL algorithms for these distributions. Nevertheless, in our real-world experiments, SSL algorithms can often outperform UL and SL algorithms. In summary, our work suggests that while it is possible to prove the performance gains of SSL algorithms, this would require careful tracking of constants in the theoretical analysis.
Learning Reliable Logical Rules with SATNet
Authors: Zhaoyu Li; Jinpei Guo; Yuhe Jiang; Xujie Si
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Bridging logical reasoning and deep learning is crucial for advanced AI systems. In this work, we present a new framework that addresses this goal by generating interpretable and verifiable logical rules through differentiable learning, without relying on pre-specified logical structures. Our approach builds upon SATNet, a differentiable MaxSAT solver that learns the underlying rules from input-output examples. Despite its efficacy, the learned weights in SATNet are not straightforwardly interpretable, failing to produce human-readable rules. To address this, we propose a novel specification method called ``maximum equality'', which enables the interchangeability between the learned weights of SATNet and a set of propositional logical rules in weighted MaxSAT form. With the decoded weighted MaxSAT formula, we further introduce several effective verification techniques to validate it against the ground truth rules. Experiments on stream transformations and Sudoku problems show that our decoded rules are highly reliable: using exact solvers on them could achieve 100% accuracy, whereas the original SATNet fails to give correct solutions in many cases. Furthermore, we formally verify that our decoded logical rules are functionally equivalent to the ground truth ones.
A Unified Approach for Maximizing Continuous DR-submodular Functions
Authors: Mohammad Pedramfar; Christopher John Quinn; Vaneet Aggarwal
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: This paper presents a unified approach for maximizing continuous DR-submodular functions that encompasses a range of settings and oracle access types. Our approach includes a Frank-Wolfe type offline algorithm for both monotone and non-monotone functions, with different restrictions on the general convex set. We consider settings where the oracle provides access to either the gradient of the function or only the function value, and where the oracle access is either deterministic or stochastic. We determine the number of required oracle accesses in all cases. Our approach gives new/improved results for nine out of the sixteen considered cases, avoids computationally expensive projections in three cases, with the proposed framework matching performance of state-of-the-art approaches in the remaining four cases. Notably, our approach for the stochastic function value-based oracle enables the first regret bounds with bandit feedback for stochastic DR-submodular functions.
Hardware Resilience Properties of Text-Guided Image Classifiers
Authors: Syed Talal Wasim; Kabila Haile Soboka; Abdulrahman Mahmoud; Salman Khan; David Brooks; Gu-Yeon Wei
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: This paper presents a novel method to enhance the reliability of image classification models during deployment in the face of transient hardware errors. By utilizing enriched text embeddings derived from GPT-3 with question prompts per class and CLIP pretrained text encoder, we investigate their impact as an initialization for the classification layer. Our approach achieves a remarkable $5.5\times$ average increase in hardware reliability (and up to $14\times$) across various architectures in the most critical layer, with minimal accuracy drop ($0.3\%$ on average) compared to baseline PyTorch models. Furthermore, our method seamlessly integrates with any image classification backbone, showcases results across various network architectures, decreases parameter and FLOPs overhead, and follows a consistent training recipe. This research offers a practical and efficient solution to bolster the robustness of image classification models against hardware failures, with potential implications for future studies in this domain. Our code and models are released at https://github.com/TalalWasim/TextGuidedResilience.
Polynomial-Time Linear-Swap Regret Minimization in Imperfect-Information Sequential Games
Authors: Gabriele Farina; Charilaos Pipis
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: No-regret learners seek to minimize the difference between the loss they cumulated through the actions they played, and the loss they would have cumulated in hindsight had they consistently modified their behavior according to some strategy transformation function. The size of the set of transformations considered by the learner determines a natural notion of rationality. As the set of transformations each learner considers grows, the strategies played by the learners recover more complex game-theoretic equilibria, including correlated 
equilibria in normal-form games and extensive-form correlated equilibria in extensive-form games. At the extreme, a no-swap-regret agent is one that minimizes regret against the set of all functions from the set of strategies to itself. While it is known that the no-swap-regret condition can be attained efficiently in nonsequential (normal-form) games, understanding what is the strongest notion of rationality that can be attained efficiently in the worst case in sequential (extensive-form) games is a longstanding open problem. In this paper we provide a positive result, by showing that it is possible, in any sequential game, to retain polynomial-time (in the game tree size) iterations while achieving sublinear regret with respect to all linear transformations of the mixed strategy space, a notion called no-linear-swap regret. This notion of hindsight rationality is as strong as no-swap-regret in nonsequential games, and stronger than no-trigger-regret in sequential games—thereby proving the existence of a subset of extensive-form correlated equilibria robust to linear deviations, which we call linear-deviation correlated equilibria, that can be approached efficiently.
Direct Preference-based Policy Optimization without Reward Modeling
Authors: Gaon An; Junhyeok Lee; Xingdong Zuo; Norio Kosaka; Kyung-Min Kim; Hyun Oh Song
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Preference-based reinforcement learning (PbRL) is an approach that enables RL agents to learn from preference, which is particularly useful when formulating a reward function is challenging. Existing PbRL methods generally involve a two-step procedure: they first learn a reward model based on given preference data and then employ off-the-shelf reinforcement learning algorithms using the learned reward model. However, obtaining an accurate reward model solely from preference information, especially when the preference is from human teachers, can be difficult. Instead, we propose a PbRL algorithm that directly learns from preference without requiring any reward modeling. To achieve this, we adopt a contrastive learning framework to design a novel policy scoring metric that assigns a high score to policies that align with the given preferences. We apply our algorithm to offline RL tasks with actual human preference labels and show that our algorithm outperforms or is on par with the existing PbRL methods. Notably, on high-dimensional control tasks, our algorithm surpasses offline RL methods that learn with ground-truth reward information. Finally, we show that our algorithm can be successfully applied to fine-tune large language models.