mtybilly/Instruct2DS huggingface dataset:
Finding Counterfactually Optimal Action Sequences in Continuous State Spaces
Authors: Stratis Tsirtsis, Manuel Rodriguez
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Whenever a clinician reflects on the efficacy of a sequence of treatment decisions for a patient, they may try to identify critical time steps where, had they made different decisions, the patient's health would have improved. While recent methods at the intersection of causal inference and reinforcement learning promise to aid human experts, as the clinician above, to retrospectively analyze sequential decision making processes, they have focused on environments with finitely many discrete states. However, in many practical applications, the state of the environment is inherently continuous in nature. In this paper, we aim to fill this gap. We start by formally characterizing a sequence of discrete actions and continuous states using finite horizon Markov decision processes and a broad class of bijective structural causal models. Building upon this characterization, we formalize the problem of finding counterfactually optimal action sequences and show that, in general, we cannot expect to solve it in polynomial time. Then, we develop a search method based on the A* algorithm that, under a natural form of Lipschitz continuity of the environment’s dynamics, is guaranteed to return the optimal solution to the problem. Experiments on real clinical data show that our method is very efficient in practice, and it has the potential to offer interesting insights for sequential decision making tasks.
Reusing Pretrained Models by Multi-linear Operators for Efficient Training
Authors: Yu Pan, Ye Yuan, Yichun Yin, Zenglin Xu, Lifeng Shang, Xin Jiang, Qun Liu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Training large models from scratch usually costs a substantial amount of resources. Towards this problem, recent studies such as bert2BERT and LiGO have reused small pretrained models to initialize a large model (termed the ``target model''), leading to a considerable acceleration in training. Despite the successes of these previous studies, they  grew pretrained models by mapping partial weights only, ignoring potential correlations across the entire model. As we show in this paper, there are inter- and intra-interactions among the weights of both the pretrained and the target models. As a result, the partial mapping may not capture the complete information and lead to inadequate growth. In this paper, we propose a method that linearly correlates each weight of the target model to all the weights of the pretrained model to further enhance acceleration ability. We utilize multi-linear operators to reduce computational and spacial complexity, enabling acceptable resource requirements. Experiments demonstrate that our method can save 76\% computational costs on DeiT-base transferred from DeiT-small, which outperforms bert2BERT by +12\% and LiGO by +21\%, respectively.
Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design
Authors: AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca Thiede, Anshul Kundaje, Alan Aspuru-Guzik
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: The efficient exploration of chemical space to design molecules with intended properties enables the accelerated discovery of drugs, materials, and catalysts, and is one of the most important outstanding challenges in chemistry. Encouraged by the recent surge in computer power and artificial intelligence development, many algorithms have been developed to tackle this problem. However, despite the emergence of many new approaches in recent years, comparatively little progress has been made in developing realistic benchmarks that reflect the complexity of molecular design for real-world applications. In this work, we develop a set of practical benchmark tasks relying on physical simulation of molecular systems mimicking real-life molecular design problems for materials, drugs, and chemical reactions. Additionally, we demonstrate the utility and ease of use of our new benchmark set by demonstrating how to compare the performance of several well-established families of algorithms. Overall, we believe that our benchmark suite will help move the field towards more realistic molecular design benchmarks, and move the development of inverse molecular design algorithms closer to the practice of designing molecules that solve existing problems in both academia and industry alike.
DreamSparse: Escaping from Plato’s Cave with 2D Diffusion Model Given Sparse Views
Authors: Paul Yoo, Jiaxian Guo, Yutaka Matsuo, Shixiang (Shane) Gu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Synthesizing novel view images from a few views is a challenging but practical problem. Existing methods often struggle with producing high-quality results or necessitate per-object optimization in such few-view settings due to the insufficient information provided.  In this work, we explore leveraging the strong 2D priors in pre-trained diffusion models for synthesizing novel view images. 2D diffusion models, nevertheless, lack 3D awareness, leading to distorted image synthesis and compromising the identity. To address these problems, we propose $\textit{DreamSparse}$, a framework that enables the frozen pre-trained diffusion model to generate geometry and identity-consistent novel view images. Specifically, DreamSparse incorporates a geometry module designed to capture features about spatial information from sparse views as a 3D prior. Subsequently, a spatial guidance model is introduced to convert rendered feature maps as spatial information for the generative process. This information is then used to guide the pre-trained diffusion model toencourage the synthesis of geometrically consistent images without further tuning. Leveraging the strong image priors in the pre-trained diffusion models, DreamSparse is capable of synthesizing high-quality novel views for both object and object-centric scene-level images and generalising to open-set images.Experimental results demonstrate that our framework can effectively synthesize novel view images from sparse views and outperforms baselines in both trained and open-set category images. More results can be found on our project page: https://sites.google.com/view/dreamsparse-webpage.
Sample Complexity Bounds for Score-Matching: Causal Discovery and Generative Modeling
Authors: Zhenyu Zhu, Francesco Locatello, Volkan Cevher
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper provides statistical sample complexity bounds for score-matching and its applications in causal discovery. We demonstrate that accurate estimation of the score function is achievable by training a standard deep ReLU neural network using stochastic gradient descent. We establish bounds on the error rate of recovering causal relationships using the score-matching-based causal discovery method of Rolland et al. [2022], assuming a sufficiently good estimation of the score function. Finally, we analyze the upper bound of score-matching estimation within the score-based generative modeling, which has been applied for causal discovery but is also of independent interest within the domain of generative models.
Adversarial Robustness in Graph Neural Networks: A Hamiltonian Approach
Authors: Kai Zhao, Qiyu Kang, Yang Song, Rui She, Sijie Wang, Wee Peng Tay
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Graph neural networks (GNNs) are vulnerable to adversarial perturbations, including those that affect both node features and graph topology. This paper investigates GNNs derived from diverse neural flows, concentrating on their connection to various stability notions such as BIBO stability, Lyapunov stability, structural stability, and conservative stability. We argue that Lyapunov stability, despite its common use, does not necessarily ensure adversarial robustness. Inspired by physics principles, we advocate for the use of conservative Hamiltonian neural flows to construct GNNs that are robust to adversarial attacks. The adversarial robustness of different neural flow GNNs is empirically compared on several benchmark datasets under a variety of adversarial attacks. Extensive numerical experiments demonstrate that GNNs leveraging conservative Hamiltonian flows with Lyapunov stability substantially improve robustness against adversarial perturbations. The implementation code of experiments  is available at \url{https://github.com/zknus/NeurIPS-2023-HANG-Robustness}.
A Path to Simpler Models Starts With Noise
Authors: Lesia Semenova, Harry Chen, Ronald Parr, Cynthia Rudin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The Rashomon set is the set of models that perform approximately equally well on a given dataset, and the Rashomon ratio is the fraction of all models in a given hypothesis space that are in the Rashomon set. Rashomon ratios are often large for tabular datasets in criminal justice, healthcare, lending, education, and in other areas, which has practical implications about whether simpler models can attain the same level of accuracy as more complex models. An open question is why Rashomon ratios often tend to be large. In this work, we propose and study a mechanism of the data generation process, coupled with choices usually made by the analyst during the learning process, that determines the size of the Rashomon ratio. Specifically, we demonstrate that noisier datasets lead to larger Rashomon ratios through the way that practitioners train models. Additionally, we introduce a measure called pattern diversity, which captures the average difference in predictions between distinct classification patterns in the Rashomon set, and motivate why it tends to increase with label noise. Our results explain a key aspect of why simpler models often tend to perform as well as black box models on complex, noisier datasets.
Winner-Take-All Column Row Sampling for Memory Efficient Adaptation of Language Model
Authors: Zirui Liu, Guanchu Wang, Shaochen (Henry) Zhong, Zhaozhuo Xu, Daochen Zha, Ruixiang (Ryan) Tang, Zhimeng (Stephen) Jiang, Kaixiong Zhou, Vipin Chaudhary, Shuai Xu, Xia Hu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: As the model size grows rapidly, fine-tuning the large pre-trained language model has become increasingly difficult due to its extensive memory usage. Previous works usually focus on reducing the number of trainable parameters in the network. While the model parameters do contribute to memory usage, the primary memory bottleneck during training arises from storing feature maps, also known as activations, as they are crucial for gradient calculation. Notably, machine learning models are typically trained using stochastic gradient descent.We argue that in stochastic optimization, models can handle noisy gradients as long as the gradient estimator is unbiased with reasonable variance.Following this motivation, we propose a new family of unbiased estimators called \sas, for matrix production with reduced variance, which only requires storing the sub-sampled activations for calculating the gradient.Our work provides both theoretical and experimental evidence that, in the context of tuning transformers, our proposed estimators exhibit lower variance compared to existing ones.By replacing the linear operation with our approximated one in transformers, we can achieve up to 2.7X peak memory reduction with almost no accuracy drop and enables up to $6.4\times$ larger batch size.Under the same hardware, \sas enables better down-streaming task performance by applying larger models and/or faster training speed with larger batch sizes.The code is available at https://anonymous.4open.science/r/WTACRS-A5C5/.
Zeroth-Order Methods for Nondifferentiable, Nonconvex, and Hierarchical Federated Optimization
Authors: Yuyang Qiu, Uday Shanbhag, Farzad Yousefian
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Federated learning (FL) has emerged as an enabling framework for communication-efficient decentralized training. We study three broadly applicable problem classes in FL: (i) Nondifferentiable nonconvex federated optimization; (ii) Federated bilevel optimization; (iii) Federated minimax problems. Notably, in an implicit sense, both (ii) and (iii) are instances of (i). However, the hierarchical problems in (ii) and (iii) are often complicated by the absence of a closed-form expression for the implicit objective function. Unfortunately, research on these problems has been limited and afflicted by reliance on strong assumptions, including the need for differentiability and L-smoothness of the implicit function. We address this shortcoming by making the following contributions. In (i), by leveraging convolution-based smoothing and Clarke’s subdifferential calculus, we devise a randomized smoothing-enabled zeroth-order FL method and derive communication and iteration complexity guarantees for computing an approximate Clarke stationary point.  To contend with (ii) and (iii), we devise a unified randomized implicit zeroth-order FL framework, equipped with explicit communication and iteration complexities. Importantly, our method utilizes delays during local steps to skip making calls to the inexact lower-level FL oracle. This results in significant reduction in communication overhead when addressing hierarchical problems. We empirically validate the theory on nonsmooth and hierarchical ML problems.
Language Model Alignment with Elastic Reset
Authors: Michael Noukhovitch, Samuel Lavoie, Florian Strub, Aaron C. Courville
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Finetuning language models with reinforcement learning (RL), e.g. from human feedback (HF), is a prominent method for alignment. But optimizing against a reward model can improve on reward while degrading performance in other areas, a phenomenon known as reward hacking, alignment tax, or language drift. First, we argue that commonly-used test metrics are insufficient and instead measure how different algorithms tradeoff between reward and drift. The standard method modified the reward with a Kullback-Lieber (KL) penalty between the online and initial model. We propose Elastic Reset, a new algorithm that achieves higher reward with less drift without explicitly modifying the training objective. We periodically reset the online model to an exponentially moving average (EMA) of itself, then reset the EMA model to the initial model. Through the use of an EMA, our model recovers quickly after resets and achieves higher reward with less drift in the same number of steps. We demonstrate that fine-tuning language models with Elastic Reset leads to state-of-the-art performance on a small scale pivot-translation benchmark, outperforms all baselines in a medium-scale RLHF-like IMDB mock sentiment task and leads to a more performant and more aligned technical QA chatbot with LLaMA-7B. Code available https://github.com/mnoukhov/elastic-reset
Resolving the Tug-of-War: A Separation of Communication and Learning in Federated Learning
Authors: Junyi Li, Heng Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Federated learning (FL) is a promising privacy-preserving machine learning paradigm over distributed data. In this paradigm, each client trains the parameter of a model locally and the server aggregates the parameter from clients periodically. Therefore, we perform the learning and communication over the same set of parameters. However, we find that learning and communication have fundamentally divergent requirements for parameter selection, akin to two opposite teams in a tug-of-war game. To mitigate this discrepancy, we introduce FedSep, a novel two-layer federated learning framework. FedSep consists of separated communication and learning layers for each client and the two layers are connected through decode/encode operations. In particular, the decoding operation is formulated as a minimization problem. We view FedSep as a federated bilevel optimization problem and propose an efficient algorithm to solve it. Theoretically, we demonstrate that its convergence matches that of the standard FL algorithms. The separation of communication and learning in FedSep offers innovative solutions to various challenging problems in FL, such as Communication-Efficient FL and Heterogeneous-Model FL. Empirical validation shows the superior performance of FedSep over various baselines in these tasks.
GlucoSynth: Generating Differentially-Private Synthetic Glucose Traces
Authors: Josephine Lamp, Mark Derdzinski, Christopher Hannemann, Joost van der Linden, Lu Feng, Tianhao Wang, David Evans
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We focus on the problem of generating high-quality, private synthetic glucose traces, a task generalizable to many other time series sources. Existing methods for time series data synthesis, such as those using Generative Adversarial Networks (GANs), are not able to capture the innate characteristics of glucose data and cannot provide any formal privacy guarantees without severely degrading the utility of the synthetic data. In this paper we present GlucoSynth, a novel privacy-preserving GAN framework to generate synthetic glucose traces. The core intuition behind our approach is to conserve relationships amongst motifs (glucose events) within the traces, in addition to temporal dynamics. Our framework incorporates differential privacy mechanisms to provide strong formal privacy guarantees. We provide a comprehensive evaluation on the real-world utility of the data using 1.2 million glucose traces; GlucoSynth outperforms all previous methods in its ability to generate high-quality synthetic glucose traces with strong privacy guarantees.
OBJECT 3DIT: Language-guided 3D-aware Image Editing
Authors: Oscar Michel, Anand Bhattad, Eli VanderBilt, Ranjay Krishna, Aniruddha Kembhavi, Tanmay Gupta
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Existing image editing tools, while powerful, typically disregard the underlying 3D geometry from which the image is projected. As a result, edits made using these tools may become detached from the geometry and lighting conditions that are at the foundation of the image formation process; such edits break the portrayal of a coherent 3D world. 3D-aware generative models are a promising solution, but currently only succeed on small datasets or at the level of a single object. In this work, we formulate the new task of language-guided 3D-aware editing, where objects in an image should be edited according to a language instruction while remaining consistent with the underlying 3D scene. To promote progress towards this goal, we release OBJect: a benchmark dataset of 400K editing examples created from procedurally generated 3D scenes. Each example consists of an input image, editing instruction in language, and the edited image. We also introduce 3DIT: single and multi-task models for four editing tasks. Our models show impressive abilities to understand the 3D composition of entire scenes, factoring in surrounding objects, surfaces, lighting conditions, shadows, and physically-plausible object configurations. Surprisingly, training on only synthetic scenes from \dataset, editing capabilities of 3DIT generalize to real-world images.
Learning Rule-Induced Subgraph Representations for Inductive Relation Prediction
Authors: Tianyu Liu, Qitan Lv, Jie Wang, Shuling Yang, Hanzhu Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Inductive relation prediction (IRP)---where entities can be different during training and inference---has shown great power for completing evolving knowledge graphs. Existing works mainly focus on using graph neural networks (GNNs) to learn the representation of the subgraph induced from the target link, which can be seen as an implicit rule-mining process to measure the plausibility of the target link. However, these methods are not able to differentiate the target link and other links during message passing, hence the final subgraph representation will contain irrelevant rule information to the target link, which reduces the reasoning performance and severely hinders the applications for real-world scenarios. To tackle this problem, we propose a novel $\textit{single-source edge-wise}$ GNN model to learn the $\textbf{R}$ule-induc$\textbf{E}$d $\textbf{S}$ubgraph represen$\textbf{T}$ations $(\textbf{REST}$), which encodes relevant rules and eliminates irrelevant rules within the subgraph. Specifically, we propose a $\textit{single-source}$ initialization approach to initialize edge features only for the target link, which guarantees the relevance of mined rules and target link. Then we propose several RNN-based functions for $\textit{edge-wise}$ message passing to model the sequential property of mined rules. REST is a simple and effective approach with theoretical support to learn the $\textit{rule-induced subgraph representation}$. Moreover, REST does not need node labeling, which significantly accelerates the subgraph preprocessing time by up to $\textbf{11.66}\times$. Experiments on inductive relation prediction benchmarks demonstrate the effectiveness of our REST.
Linguistic Binding in Diffusion Models: Enhancing Attribute Correspondence through Attention Map Alignment
Authors: Royi Rassin, Eran Hirsch, Daniel Glickman, Shauli Ravfogel, Yoav Goldberg, Gal Chechik
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Text-conditioned image generation models often generate incorrect associations between entities and their visual attributes. This reflects an impaired mapping between linguistic binding of entities and modifiers in the prompt and visual binding of the corresponding elements in the generated image. As one example, a query like ``a pink sunflower and a yellow flamingo'' may incorrectly produce an image of a yellow sunflower and a pink flamingo. To remedy this issue, we propose SynGen, an approach which first syntactically analyses the prompt to identify entities and their modifiers, and then uses a novel loss function that encourages the cross-attention maps to agree with the linguistic binding reflected by the syntax. Specifically, we encourage large overlap between attention maps of entities and their modifiers, and small overlap with other entities and modifier words. The loss is optimized during inference, without retraining or fine-tuning the model. Human evaluation on three datasets, including one new and challenging set, demonstrate significant improvements of SynGen compared with current state of the art methods. This work highlights how making use of sentence structure during inference can efficiently and substantially improve the faithfulness of text-to-image generation.
Optimistic Natural Policy Gradient: a Simple Efficient Policy Optimization Framework  for Online RL
Authors: Qinghua Liu, Gellert Weisz, András György, Chi Jin, Csaba Szepesvari
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: While policy optimization algorithms have played an important role in recent empirical success of Reinforcement Learning (RL), the existing theoretical understanding of policy optimization remains rather limited---they are either restricted to tabular MDPs or suffer from highly suboptimal sample complexity, especial in online RL where exploration is necessary. This paper proposes a simple efficient policy optimization framework---Optimistic NPG for online RL. Optimistic NPG can be viewed as simply combining of the classic natural policy gradient (NPG) algorithm [Kakade, 2001]  with optimistic policy evaluation subroutines to encourage exploration. For $d$-dimensional linear MDPs, Optimistic NPG is computationally efficient, and learns an $\epsilon$-optimal policy within  $\tilde{\mathcal{O}}(d^2/\epsilon^3)$ samples, which is the first computationally efficient algorithm whose sample complexity has the optimal dimension dependence $\tilde{\Theta}(d^2)$. It also improves over state-of-the-art results of policy optimization algorithms [Zanette et al., 2021] by a factor of $d$. For general function approximation that subsumes linear MDPs, Optimistic NPG, to our best knowledge, is also the first policy optimization algorithm that achieves the polynomial sample complexity for learning near-optimal policies.
Two-Stage Learning to Defer with Multiple Experts
Authors: Anqi Mao, Christopher Mohri, Mehryar Mohri, Yutao Zhong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study a two-stage scenario for learning to defer with multiple experts, which is crucial in practice for many applications.  In this scenario, a predictor is derived in a first stage by training with a common loss function such as cross-entropy.  In the second stage, a deferral function is learned to assign the most suitable expert to each input.  We design a new family of surrogate loss functions for this scenario both in the score-based and the predictor-rejector settings and prove that they are supported by $H$-consistency bounds, which implies their Bayes-consistency.  Moreover, we show that, for a constant cost function, our two-stage surrogate losses are realizable $H$-consistent. While the main focus of this work is a theoretical analysis, we also report the results of several experiments on CIFAR-10 and SVHN datasets.
A Computationally Efficient Sparsified Online Newton Method
Authors: Fnu Devvrit, Sai Surya Duvvuri, Rohan Anil, Vineet Gupta, Cho-Jui Hsieh, Inderjit S. Dhillon
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Second-order methods hold significant promise for enhancing the convergence of deep neural network training; however, their large memory and computational demands have limited their practicality. Thus there is a need for scalable second-order methods that can efficiently train large models. In this paper, we introduce the Sparsified Online Newton~(SONew) method, a memory-efficient second-order algorithm that yields a sparsified yet effective preconditioner. The algorithm emerges from a novel use of the LogDet matrix divergence measure; we combine it with sparsity constraints to minimize regret in the online convex optimization framework. Empirically, we test our method on large scale benchmarks of up to 1B parameters. We achieve up to $30\\%$ faster convergence, $3.4\\%$ relative improvement in validation performance, and $80\\%$ relative improvement in training loss, in comparison to memory efficient optimizers including first order methods. Powering the method is a surprising fact -- imposing structured sparsity patterns, like tridiagonal and banded structure, requires little to no overhead, making it as efficient and parallelizable as first-order methods. In wall-clock time, tridiagonal SONew is only about $3\\%$ slower per step than first-order methods but gives overall gains due to much faster convergence. In contrast, one of the state-of-the-art (SOTA) memory-intensive second-order methods, Shampoo, is unable to scale to large benchmarks. Additionally, while Shampoo necessitates significant engineering efforts to scale to large benchmarks, SONew offers a more straightforward implementation, increasing its practical appeal. SONew code is available at: https://github.com/devvrit/SONew
ConRad: Image Constrained Radiance Fields for 3D Generation from a Single Image
Authors: Senthil Purushwalkam, Nikhil Naik
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present a novel method for reconstructing 3D objects from a single RGB image. Our method leverages the latest image generation models to infer the hidden 3D structure while remaining faithful to the input image. While existing methods obtain impressive results in generating 3D models from text prompts, they do not provide an easy approach for conditioning on input RGB data. Naive extensions of these methods often lead to improper alignment in appearance between the input image and the 3D reconstructions. We address these challenges by introducing Image Constrained Radiance Fields (ConRad), a novel variant of neural radiance fields. ConRad is an efficient 3D representation that explicitly captures the appearance of an input image in one viewpoint. We propose a training algorithm that leverages the single RGB image in conjunction with pretrained Diffusion Models to optimize the parameters of a ConRad representation. Extensive experiments show that ConRad representations can simplify preservation of image details while producing a realistic 3D reconstruction. Compared to existing state-of-the-art baselines, we show that our 3D reconstructions remain more faithful to the input and produce more consistent 3D models while demonstrating significantly improved quantitative performance on a ShapeNet object benchmark.
Fair Canonical Correlation Analysis
Authors: Zhuoping Zhou, Davoud Ataee Tarzanagh, Bojian Hou, Boning Tong, Jia Xu, Yanbo Feng, Qi Long, Li Shen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper investigates fairness and bias in Canonical Correlation Analysis (CCA), a widely used statistical technique for examining the relationship between two sets of variables. We present a framework that alleviates unfairness by minimizing the correlation disparity error associated with protected attributes. Our approach enables CCA to learn global projection matrices from all data points while ensuring that these matrices yield comparable correlation levels to group-specific projection matrices. Experimental evaluation on both synthetic and real-world datasets demonstrates the efficacy of our method in reducing correlation disparity error without compromising CCA accuracy.
DIFUSCO: Graph-based Diffusion Solvers for Combinatorial Optimization
Authors: Zhiqing Sun, Yiming Yang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neural network-based Combinatorial Optimization (CO) methods have shown promising results in solving various NP-complete (NPC) problems without relying on hand-crafted domain knowledge. This paper broadens the current scope of neural solvers for NPC problems by introducing a new graph-based diffusion framework, namely DIFUSCO. It formulates NPC problems into a discrete {0, 1}-vector space and uses graph-based denoising diffusion models to generate high-quality solutions. Specifically, we explore diffusion models with Gaussian and Bernoulli noise, respectively, and also introduce an effective inference schedule to improve the generation quality. We evaluate our methods on two well-studied combinatorial optimization problems: Traveling Salesman Problem (TSP) and Maximal Independent Set (MIS). Experimental results show that DIFUSCO strongly outperforms the previous state-of-the-art neural solvers, improving the performance gap between ground-truth and neural solvers from 1.76% to 0.46% on TSP-500, from 2.46% to 1.17% on TSP-1000, and from 3.19% to 2.58% on TSP-10000. For the MIS problem, DIFUSCO outperforms the previous state-of-the-art neural solver on the challenging SATLIB benchmark. Our code is available at this url.
Exposing flaws of generative model evaluation metrics and their unfair treatment of diffusion models
Authors: George Stein, Jesse Cresswell, Rasa Hosseinzadeh, Yi Sui, Brendan Ross, Valentin Villecroze, Zhaoyan Liu, Anthony L Caterini, Eric Taylor, Gabriel Loaiza-Ganem
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We systematically study a wide variety of generative models spanning semantically-diverse image datasets to understand and improve the feature extractors and metrics used to evaluate them.Using best practices in psychophysics, we measure human perception of image realism for generated samples by conducting the largest experiment evaluating generative models to date, and find that no existing metric strongly correlates with human evaluations.Comparing to 17 modern metrics for evaluating the overall performance, fidelity, diversity, rarity, and memorization of generative models, we find that the state-of-the-art perceptual realism of diffusion models as judged by humans is not reflected in commonly reported metrics such as FID. This discrepancy is not explained by diversity in generated samples, though one cause is over-reliance on Inception-V3.We address these flaws through a study of alternative self-supervised feature extractors, find that the semantic information encoded by individual networks strongly depends on their training procedure, and show that DINOv2-ViT-L/14 allows for much richer evaluation of generative models. Next, we investigate data memorization, and find that generative models do memorize training examples on simple, smaller datasets like CIFAR10, but not necessarily on more complex datasets like ImageNet. However, our experiments show that current metrics do not properly detect memorization: none in the literature is able to separate memorization from other phenomena such as underfitting or mode shrinkage. To facilitate further development of generative models and their evaluation we release all generated image datasets, human evaluation data, and a modular library to compute 17 common metrics for 9 different encoders at https://github.com/layer6ai-labs/dgm-eval.
Online Clustering of Bandits with Misspecified User Models
Authors: Zhiyong Wang, Jize Xie, Xutong Liu, Shuai Li, John C.S. Lui
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The contextual linear bandit is an important online learning problem where given arm features, a learning agent selects an arm at each round to maximize the cumulative rewards in the long run. A line of works, called the clustering of bandits (CB), utilize the collaborative effect over user preferences and have shown significant improvements over classic linear bandit algorithms. However, existing CB algorithms require well-specified linear user models and can fail when this critical assumption does not hold. Whether robust CB algorithms can be designed for more practical scenarios with misspecified user models remains an open problem. In this paper, we are the first to present the important problem of clustering of bandits with misspecified user models (CBMUM), where the expected rewards in user models can be perturbed away from perfect linear models. We devise two robust CB algorithms, RCLUMB and RSCLUMB (representing the learned clustering structure with dynamic graph and sets, respectively), that can accommodate the inaccurate user preference estimations and erroneous clustering caused by model misspecifications. We prove regret upper bounds of $O(\epsilon_*T\sqrt{md\log T}  + d\sqrt{mT}\log T)$ for our algorithms under milder assumptions than previous CB works, which match the lower bound asymptotically in $T$ up to logarithmic factors, and also match the state-of-the-art results in several degenerate cases. Our regret analysis is novel and different from the typical proof flow of previous CB works. The techniques in proving the regret caused by misclustering users are quite general and may be of independent interest. Experiments on both synthetic and real-world data show our outperformance over previous algorithms.
Temporal Conditioning Spiking Latent Variable Models of the Neural Response to Natural Visual Scenes
Authors: Gehua Ma, Runhao Jiang, Rui Yan, Huajin Tang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Developing computational models of neural response is crucial for understanding sensory processing and neural computations. Current state-of-the-art neural network methods use temporal filters to handle temporal dependencies, resulting in an unrealistic and inflexible processing paradigm. Meanwhile, these methods target trial-averaged firing rates and fail to capture important features in spike trains. This work presents the temporal conditioning spiking latent variable models (TeCoS-LVM) to simulate the neural response to natural visual stimuli. We use spiking neurons to produce spike outputs that directly match the recorded trains. This approach helps to avoid losing information embedded in the original spike trains. We exclude the temporal dimension from the model parameter space and introduce a temporal conditioning operation to allow the model to adaptively explore and exploit temporal dependencies in stimuli sequences in a natural paradigm. We show that TeCoS-LVM models can produce more realistic spike activities and accurately fit spike statistics than powerful alternatives. Additionally, learned TeCoS-LVM models can generalize well to longer time scales. Overall, while remaining computationally tractable, our model effectively captures key features of neural coding systems. It thus provides a useful tool for building accurate predictive computational accounts for various sensory perception circuits.
Double Auctions with Two-sided Bandit Feedback
Authors: Soumya Basu, Abishek Sankararaman
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Double Auction enables decentralized transfer of goods between multiple buyers and sellers, thus underpinning functioning of many online marketplaces. Buyers and sellers compete in these markets through bidding, but do not often know their own valuation a-priori. As the allocation and pricing happens through bids, the profitability of participants, hence sustainability of such markets, depends crucially on learning respective valuations through repeated interactions. We initiate the study of Double Auction markets under bandit feedback on both buyers' and sellers' side. We show with confidence bound based bidding, and `Average Pricing' there is an efficient price discovery among the participants.  In particular, the regret on combined valuation of the buyers and the sellers -- a.k.a. the social regret -- is $O(\log(T)/\Delta)$ in $T$ rounds, where $\Delta$ is the minimum price gap. Moreover, the buyers and sellers exchanging goods attain $O(\sqrt{T})$ regret, individually. The buyers and sellers who do not benefit from exchange in turn only experience $O(\log{T}/ \Delta)$  regret individually in $T$ rounds.  We augment our upper bound by showing that $\omega(\sqrt{T})$ individual regret, and $\omega(\log{T})$ social regret is unattainable in certain Double Auction markets. Our paper is the first to provide decentralized learning algorithms in a two-sided market where \emph{both sides have uncertain preference} that need to be learned.
Evaluating Graph Neural Networks for Link Prediction: Current Pitfalls and New Benchmarking
Authors: Juanhui Li, Harry Shomer, Haitao Mao, Shenglai Zeng, Yao Ma, Neil Shah, Jiliang Tang, Dawei Yin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Link prediction attempts to predict whether an unseen edge exists based on only a portion of the graph. A flurry of methods has been created in recent years that attempt to make use of graph neural networks (GNNs) for this task. Furthermore, new and diverse datasets have also been created to better evaluate the effectiveness of these new models. However, multiple limitations currently exist that hinders our ability to properly evaluate these new methods. This includes, but is not limited to: (1) The underreporting of performance on multiple baselines, (2) A lack of a unified data split and evaluation metric on some datasets, (3) An unrealistic evaluation setting that produces negative samples that are easy to classify. To overcome these challenges we first conduct a fair comparison across prominent methods and datasets, utilizing the same dataset settings and hyperparameter settings. We then create a new real-world evaluation setting that samples difficult negative samples via multiple heuristics. The new evaluation setting helps promote new challenges and opportunities in link prediction by aligning the evaluation with real-world situations.
EHRXQA: A Multi-Modal Question Answering Dataset for Electronic Health Records with Chest X-ray Images
Authors: Seongsu Bae, Daeun Kyung, Jaehee Ryu, Eunbyeol Cho, Gyubok Lee, Sunjun Kweon, Jungwoo Oh, Lei Ji, Eric I. Chang, Tackeun Kim, Edward Choi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Electronic Health Records (EHRs), which contain patients' medical histories in various multi-modal formats, often overlook the potential for joint reasoning across imaging and table modalities underexplored in current EHR Question Answering (QA) systems. In this paper, we introduce EHRXQA, a novel multi-modal question answering dataset combining structured EHRs and chest X-ray images. To develop our dataset, we first construct two uni-modal resources: 1) The MIMIC- CXR-VQA dataset, our newly created medical visual question answering (VQA) benchmark, specifically designed to augment the imaging modality in EHR QA, and 2) EHRSQL (MIMIC-IV), a refashioned version of a previously established table-based EHR QA dataset. By integrating these two uni-modal resources, we successfully construct a multi-modal EHR QA dataset that necessitates both uni-modal and cross-modal reasoning. To address the unique challenges of multi-modal questions within EHRs, we propose a NeuralSQL-based strategy equipped with an external VQA API. This pioneering endeavor enhances engagement with multi-modal EHR sources and we believe that our dataset can catalyze advances in real-world medical scenarios such as clinical decision-making and research. EHRXQA is available at https://github.com/baeseongsu/ehrxqa.
Enhancing Robot Program Synthesis Through Environmental Context
Authors: Tianyi Chen, Qidi Wang, Zhen Dong, Liwei Shen, Xin Peng
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Program synthesis aims to automatically generate an executable program that conforms to the given specification. Recent advancements have demonstrated that deep neural methodologies and large-scale pretrained language models are highly proficient in capturing program semantics.For robot programming, prior works have facilitated program synthesis by incorporating global environments. However, the assumption of acquiring a comprehensive understanding of the entire environment is often excessively challenging to achieve.In this work, we present a framework that learns to synthesize a program by rectifying potentially erroneous code segments, with the aid of partially observed environments. To tackle the issue of inadequate attention to partial observations, we propose to first learn an environment embedding space that can implicitly evaluate the impacts of each program token based on the precondition. Furthermore, by employing a graph structure, the model can aggregate both environmental and syntactic information flow and furnish smooth program rectification guidance.Extensive experimental evaluations and ablation studies on the partially observed VizDoom domain authenticate that our method offers superior generalization capability across various tasks and greater robustness when encountering noises.
ScenarioNet: Open-Source Platform for Large-Scale Traffic Scenario Simulation and Modeling
Authors: Quanyi Li, Zhenghao (Mark) Peng, Lan Feng, Zhizheng Liu, Chenda Duan, Wenjie Mo, Bolei Zhou
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Large-scale driving datasets such as Waymo Open Dataset and nuScenes substantially accelerate autonomous driving research, especially for perception tasks such as 3D detection and trajectory forecasting. Since the driving logs in these datasets contain HD maps and detailed object annotations which accurately reflect the real-world complexity of traffic behaviors, we can harvest a massive number of complex traffic scenarios and recreate their digital twins in simulation. Compared to the hand-crafted scenarios often used in existing simulators, data-driven scenarios collected from the real world can facilitate many research opportunities in machine learning and autonomous driving. In this work, we present ScenarioNet, an open-source platform for large-scale traffic scenario modeling and simulation. ScenarioNet defines a unified scenario description format and collects a large-scale repository of real-world traffic scenarios from the heterogeneous data in various driving datasets including Waymo, nuScenes, Lyft L5, and nuPlan datasets. These scenarios can be further replayed and interacted with in multiple views from Bird-Eye-View layout to realistic 3D rendering in MetaDrive simulator. This provides a benchmark for evaluating the safety of autonomous driving stacks in simulation before their real-world deployment. We further demonstrate the strengths of ScenarioNet on large-scale scenario generation, imitation learning, and reinforcement learning in both single-agent and multi-agent settings. Code, demo videos, and website are available at https://github.com/metadriverse/scenarionet
Understanding Deep Gradient Leakage via Inversion Influence Functions
Authors: Haobo Zhang, Junyuan Hong, Yuyang Deng, Mehrdad Mahdavi, Jiayu Zhou
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Deep Gradient Leakage (DGL) is a highly effective attack that recovers private training images from gradient vectors.This attack casts significant privacy challenges on distributed learning from clients with sensitive data, where clients are required to share gradients.  Defending against such attacks requires but lacks an understanding of when and how privacy leakage happens, mostly because of the black-box nature of deep networks.  In this paper, we propose a novel Inversion Influence Function (I$^2$F) that establishes a closed-form connection between the recovered images and the private gradients by implicitly solving the DGL problem.  Compared to directly solving DGL, I$^2$F is scalable for analyzing deep networks, requiring only oracle access to gradients and Jacobian-vector products.  We empirically demonstrate that I$^2$F effectively approximated the DGL generally on different model architectures, datasets, modalities, attack implementations, and perturbation-based defenses.  With this novel tool, we provide insights into effective gradient perturbation directions, the unfairness of privacy protection, and privacy-preferred model initialization.  Our codes are provided in https://github.com/illidanlab/inversion-influence-function.