mtybilly/Instruct2DS huggingface dataset:
When Do Neural Nets Outperform Boosted Trees on Tabular Data?
Authors: Sujay Khandagale, Jonathan Valverde, Vishak Prasad C, Ganesh Ramakrishnan, Micah Goldblum, Colin White Duncan McElfresh
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Tabular data is one of the most commonly used types of data in machine learning. Despite recent advances in neural nets (NNs) for tabular data, there is still an active discussion on whether or not NNs generally outperform gradient-boosted decision trees (GBDTs) on tabular data, with several recent works arguing either that GBDTs consistently outperform NNs on tabular data, or vice versa. In this work, we take a step back and question the importance of this debate. To this end, we conduct the largest tabular data analysis to date, comparing 19 algorithms across 176 datasets, and we find that the 'NN vs. GBDT' debate is overemphasized: for a surprisingly high number of datasets, either the performance difference between GBDTs and NNs is negligible, or light hyperparameter tuning on a GBDT is more important than choosing between NNs and GBDTs. Next, we analyze dozens of metafeatures to determine what \emph{properties} of a dataset make NNs or GBDTs better-suited to perform well. For example, we find that GBDTs are much better than NNs at handling skewed or heavy-tailed feature distributions and other forms of dataset irregularities. Our insights act as a guide for practitioners to determine which techniques may work best on their dataset. Finally, with the goal of accelerating tabular data research, we release the TabZilla Benchmark Suite: a collection of the 36 'hardest' of the datasets we study. Our benchmark suite, codebase, and all raw results are available at https://github.com/naszilla/tabzilla.
Adversarially Robust Distributed Count Tracking via Partial Differential Privacy
Authors: Xiaoyi Zhu, zengfeng Huang Zhongzheng Xiong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study the distributed tracking model, also known as distributed functional monitoring. This model involves $k$ sites each receiving a stream of items and communicating with the central server. The server's task is to track a function of all items received thus far continuously, with minimum communication cost. For count tracking, it is known that there is a $\sqrt{k}$ gap in communication between deterministic and randomized algorithms. However, existing randomized algorithms assume an "oblivious adversary" who constructs the entire input streams before the algorithm starts. Here we consider adaptive adversaries who can choose new items based on previous answers from the algorithm. Deterministic algorithms are trivially robust to adaptive adversaries, while randomized ones may not. Therefore, we investigate whether the $\sqrt{k}$ advantage of randomized algorithms is from randomness itself or the oblivious adversary assumption. We provide an affirmative answer to this question by giving a robust algorithm with optimal communication. Existing robustification techniques do not yield optimal bounds due to the inherent challenges of the distributed nature of the problem. To address this, we extend the differential privacy framework by introducing "partial differential privacy" and proving a new generalization theorem. This theorem may have broader applications beyond robust count tracking, making it of independent interest.
Energy-Based Cross Attention for Bayesian Context Update in Text-to-Image Diffusion Models
Authors: Jeongsol Kim, Beomsu Kim, Sang Wan Lee, Jong Chul Ye Geon Yeong Park
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Despite the remarkable performance of text-to-image diffusion models in image generation tasks, recent studies have raised the issue that generated images sometimes cannot capture the intended semantic contents of the text prompts, which phenomenon is often called semantic misalignment. To address this, here we present a novel energy-based model (EBM) framework for adaptive context control by modeling the posterior of context vectors. Specifically, we first formulate EBMs of latent image representations and text embeddings in each cross-attention layer of the denoising autoencoder. Then, we obtain the gradient of the log posterior of context vectors, which can be updated and transferred to the subsequent cross-attention layer, thereby implicitly minimizing a nested hierarchy of energy functions. Our latent EBMs further allow zero-shot compositional generation as a linear combination of cross-attention outputs from different contexts. Using extensive experiments, we demonstrate that the proposed method is highly effective in handling various image generation tasks, including multi-concept generation, text-guided image inpainting, and real and synthetic image editing. Code: https://github.com/EnergyAttention/Energy-Based-CrossAttention.
Optimal Algorithms for the Inhomogeneous Spiked Wigner Model
Authors: Justin Ko, Florent Krzakala Aleksandr Pak
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study a spiked Wigner problem with an inhomogeneous noise profile. Our aim in this problem is to recover the signal passed through an inhomogeneous low-rank matrix channel. While the information-theoretic performances are well-known, we focus on the algorithmic problem. First, we derive an approximate message-passing algorithm (AMP) for the inhomogeneous problem and show that its rigorous state evolution coincides with the information-theoretic optimal Bayes fixed-point equations. Second, we deduce a simple and efficient spectral method that outperforms PCA and is shown to match the information-theoretic transition.
Learning Repeatable Speech Embeddings Using An Intra-class Correlation Regularizer
Authors: Suren Jayasuriya, Visar Berisha Jianwei Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A good supervised embedding for a specific machine learning task is only sensitive to changes in the label of interest and is invariant to other confounding factors. We leverage the concept of repeatability from measurement theory to describe this property and propose to use the intra-class correlation coefficient (ICC) to evaluate the repeatability of embeddings. We then propose a novel regularizer, the ICC regularizer, as a complementary component for contrastive losses to guide deep neural networks to produce embeddings with higher repeatability. We use simulated data to explain why the ICC regularizer works better on minimizing the intra-class variance than the contrastive loss alone. We implement the ICC regularizer and apply it to three speech tasks: speaker verification, voice style conversion, and a clinical application for detecting dysphonic voice. The experimental results demonstrate that adding an ICC regularizer can improve the repeatability of learned embeddings compared to only using the contrastive loss; further, these embeddings lead to improved performance in these downstream tasks.
Momentum Provably Improves Error Feedback!
Authors: Alexander Tyurin, Peter Richtarik Ilyas Fatkhullin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Due to the high communication overhead when training machine learning models in a distributed environment, modern algorithms invariably rely on lossy communication compression. However, when untreated, the errors caused by compression propagate, and can lead to severely unstable behavior, including exponential divergence. Almost a decade ago, Seide et al. [2014] proposed an error feedback (EF) mechanism, which we refer to as EF14, as an immensely effective heuristic for mitigating this issue. However, despite steady algorithmic and theoretical  advances in the EF field in the last decade, our understanding is far from complete. In this work we address one of the most pressing issues. In particular, in the canonical nonconvex setting, all known variants of EF rely on very large batch sizes to converge, which can be prohibitive in practice. We propose a surprisingly simple fix which removes this issue both theoretically, and in practice: the application of Polyak's momentum to the latest incarnation of EF due to Richtárik et al. [2021] known as EF21. Our algorithm, for which we coin the name EF21-SGDM, improves the communication and sample complexities of previous error feedback algorithms under standard smoothness and bounded variance assumptions, and does not require any further strong assumptions such as bounded gradient dissimilarity. Moreover, we propose a double momentum version of our method that improves the complexities even further. Our proof seems to be novel even when compression is removed form the method, and as such, our proof technique is of independent interest in the study of nonconvex stochastic optimization enriched with Polyak's momentum.
Optimal Convergence Rate for Exact Policy Mirror Descent in Discounted Markov Decision Processes
Authors: Ciara Pike-Burke, Patrick Rebeschini Emmeran Johnson
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Policy Mirror Descent (PMD) is a general family of algorithms that covers a wide range of novel and fundamental methods in reinforcement learning. Motivated by the instability of policy iteration (PI) with inexact policy evaluation, unregularised PMD algorithmically regularises the policy improvement step of PI without regularising the objective function. With exact policy evaluation, PI is known to converge linearly with a rate given by the discount factor $\gamma$ of a Markov Decision Process. In this work, we bridge the gap between PI and PMD with exact policy evaluation and show that the dimension-free $\gamma$-rate of PI can be achieved by the general family of unregularised PMD algorithms under an adaptive step-size. We show that both the rate and step-size are unimprovable for PMD: we provide matching lower bounds that demonstrate that the $\gamma$-rate is optimal for PMD methods as well as PI and that the adaptive step-size is necessary to achieve it. Our work is the first to relate PMD to rate-optimality and step-size necessity. Our study of the convergence of PMD avoids the use of the performance difference lemma, which leads to a direct analysis of independent interest. We also extend the analysis to the inexact setting and establish the first dimension-optimal sample complexity for unregularised PMD under a generative model, improving upon the best-known result.
Diff-Instruct: A Universal Approach for Transferring Knowledge From Pre-trained Diffusion Models
Authors: Tianyang Hu, Shifeng Zhang, Jiacheng Sun, Zhenguo Li, Zhihua Zhang Weijian Luo
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Due to the ease of training, ability to scale, and high sample quality, diffusion models (DMs) have become the preferred option for generative modeling, with numerous pre-trained models available for a wide variety of datasets. Containing intricate information about data distributions, pre-trained DMs are valuable assets for downstream applications. In this work, we consider learning from pre-trained DMs and transferring their knowledge to other generative models in a data-free fashion. Specifically, we propose a general framework called Diff-Instruct to instruct the training of arbitrary generative models as long as the generated samples are differentiable with respect to the model parameters. Our proposed Diff-Instruct is built on a rigorous mathematical foundation where the instruction process directly corresponds to minimizing a novel divergence we call Integral Kullback-Leibler (IKL) divergence. IKL is tailored for DMs by calculating the integral of the KL divergence along a diffusion process, which we show to be more robust in comparing distributions with misaligned supports. We also reveal non-trivial connections of our method to existing works such as DreamFusion \citep{poole2022dreamfusion}, and generative adversarial training. To demonstrate the effectiveness and universality of Diff-Instruct, we consider two scenarios: distilling pre-trained diffusion models and refining existing GAN models. The experiments on distilling pre-trained diffusion models show that Diff-Instruct results in state-of-the-art single-step diffusion-based models. The experiments on refining GAN models show that the Diff-Instruct can consistently improve the pre-trained generators of GAN models across various settings. Our official code is released through \url{https://github.com/pkulwj1994/diff_instruct}.
Characterization of Overfitting in Robust Multiclass Classification
Authors: Weiwei Liu Jingyuan Xu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper considers the following question: Given the number of classes m, the number of robust accuracy queries k, and the number of test examples in the dataset n, how much can adaptive algorithms robustly overfit the test dataset? We solve this problem by equivalently giving near-matching upper and lower bounds of the robust overfitting bias in multiclass classification problems.
Expanding Small-Scale Datasets with Guided Imagination
Authors: Daquan Zhou, Bryan Hooi, Kai Wang, Jiashi Feng Yifan Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The power of DNNs relies heavily on the quantity and quality of training data. However, collecting and annotating data on a large scale is often expensive and time-consuming. To address this issue, we explore a new task, termed dataset expansion, aimed at expanding a ready-to-use small dataset by automatically creating new labeled samples. To this end, we present a Guided Imagination Framework (GIF) that leverages cutting-edge generative models like DALL-E2 and Stable Diffusion (SD) to "imagine" and create informative new data from the input seed data. Specifically, GIF conducts data imagination by optimizing the latent features of the seed data in the semantically meaningful space of the prior model, resulting in the creation of photo-realistic images with new content. To guide the imagination towards creating informative samples for model training, we introduce two key criteria, i.e., class-maintained information boosting and sample diversity promotion. These criteria are verified to be essential for effective dataset expansion: GIF-SD obtains 13.5% higher model accuracy on natural image datasets than unguided expansion with SD. With these essential criteria, GIF successfully expands small datasets in various scenarios, boosting model accuracy by 36.9% on average over six natural image datasets and by 13.5% on average over three medical datasets. The source code is available at https://github.com/Vanint/DatasetExpansion.
Parallel-mentoring for Offline Model-based Optimization
Authors: Christopher Beckham, Zixuan Liu, Xue (Steve) Liu, Chris Pal Can (Sam) Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study offline model-based optimization to maximize a black-box objective function with a static dataset of designs and scores. These designs encompass a variety of domains, including materials, robots, DNA sequences, and proteins. A common approach trains a proxy on the static dataset and performs gradient ascent to obtain new designs. However, this often results in poor designs due to the proxy inaccuracies for out-of-distribution designs. Recent studies indicate that (a) gradient ascent with a mean ensemble of proxies generally outperforms simple gradient ascent, and (b) a trained proxy provides weak ranking supervision signals for design selection. Motivated by (a) and (b), we propose $\textit{parallel-mentoring}$ as an effective and novel method that facilitates mentoring among proxies, creating a more robust ensemble to mitigate the out-of-distribution issue. We focus on the three-proxy case in the main paper and our method consists of two modules. The first module, $\textit{voting-based pairwise supervision}$, operates on three parallel proxies and captures their ranking supervision signals as pairwise comparison labels. These labels are combined through majority voting to generate consensus labels, which incorporates ranking supervision signals from all proxies and enables mutual mentoring. Yet, label noise arises due to possible incorrect consensus. To alleviate this, we introduce an $\textit{adaptive soft-labeling}$ module with soft-labels initialized as consensus labels. Based on bi-level optimization, this module fine-tunes proxies in the inner level and learns more accurate labels in the outer level to adaptively mentor proxies, resulting in a more robust ensemble. Experiments validate the effectiveness of our method. Our code is available here.
Nominality Score Conditioned Time Series Anomaly Detection by Point/Sequential Reconstruction
Authors: Fan-Keng Sun, Zhengqi Gao, Jeffrey H Lang, Duane Boning Chih-Yu (Andrew) Lai
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Time series anomaly detection is challenging due to the complexity and variety of patterns that can occur. One major difficulty arises from modeling time-dependent relationships to find contextual anomalies while maintaining detection accuracy for point anomalies. In this paper, we propose a framework for unsupervised time series anomaly detection that utilizes point-based and sequence-based reconstruction models. The point-based model attempts to quantify point anomalies, and the sequence-based model attempts to quantify both point and contextual anomalies. Under the formulation that the observed time point is a two-stage deviated value from a nominal time point, we introduce a nominality score calculated from the ratio of a combined value of the reconstruction errors. We derive an induced anomaly score by further integrating the nominality score and anomaly score, then theoretically prove the superiority of the induced anomaly score over the original anomaly score under certain conditions. Extensive studies conducted on several public datasets show that the proposed framework outperforms most state-of-the-art baselines for time series anomaly detection.
Frequency-domain MLPs are More Effective Learners in Time Series Forecasting
Authors: Qi Zhang, Wei Fan, Shoujin Wang, Pengyang Wang, Hui He, Ning An, Defu Lian, Longbing Cao, Zhendong Niu Kun Yi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Time series forecasting has played the key role in different industrial, including finance, traffic, energy, and healthcare domains. While existing literatures have designed many sophisticated architectures based on RNNs, GNNs, or Transformers, another kind of approaches based on multi-layer perceptrons (MLPs) are proposed with simple structure, low complexity, and superior performance. However, most MLP-based forecasting methods suffer from the point-wise mappings and information bottleneck, which largely hinders the forecasting performance. To overcome this problem, we explore a novel direction of applying MLPs in the frequency domain for time series forecasting. We investigate the learned patterns of frequency-domain MLPs and discover their two inherent characteristic benefiting forecasting, (i) global view: frequency spectrum makes MLPs own a complete view for signals and learn global dependencies more easily, and (ii) energy compaction: frequency-domain MLPs concentrate on smaller key part of frequency components with compact signal energy. Then, we propose FreTS, a simple yet effective architecture built upon Frequency-domain MLPs for Time Series forecasting. FreTS mainly involves two stages, (i) Domain Conversion, that transforms time-domain signals into complex numbers of frequency domain; (ii) Frequency Learning, that performs our redesigned MLPs for the learning of real and imaginary part of frequency components. The above stages operated on both inter-series and intra-series scales further contribute to channel-wise and time-wise dependency learning. Extensive experiments on 13 real-world benchmarks (including 7 benchmarks for short-term forecasting and 6 benchmarks for long-term forecasting) demonstrate our consistent superiority over state-of-the-art methods. Code is available at this repository: https://github.com/aikunyi/FreTS.
Q-DM: An Efficient Low-bit Quantized Diffusion Model
Authors: Sheng Xu, Xianbin Cao, Xiao Sun, Baochang Zhang Yanjing Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Denoising diffusion generative models are capable of generating high-quality data, but suffers from the computation-costly generation process, due to a iterative noise estimation using full-precision  networks. As an intuitive solution, quantization can significantly reduce the computational and memory consumption by low-bit parameters and operations. However, low-bit noise estimation networks in diffusion models (DMs) remain unexplored yet and perform much worse than the full-precision counterparts as observed in our experimental studies. In this paper, we first identify that the bottlenecks of low-bit quantized DMs come from a large distribution oscillation  on activations  and accumulated quantization error caused by the multi-step denoising process. To address these issues, we first develop a Timestep-aware Quantization (TaQ) method and a Noise-estimating Mimicking (NeM) scheme for low-bit quantized DMs (Q-DM) to effectively eliminate such oscillation and accumulated error respectively, leading to well-performed low-bit DMs. In this way, we propose an efficient Q-DM to calculate low-bit DMs by considering both training and inference process in the same framework. We evaluate our methods on popular DDPM and DDIM models. Extensive experimental results show that our method achieves a much better performance than the prior arts. For example, the 4-bit Q-DM theoretically accelerates the 1000-step DDPM by 7.8x and achieves a FID score of 5.17, on the unconditional CIFAR-10 dataset.
Beyond Exponential Graph: Communication-Efficient Topologies for Decentralized Learning via Finite-time Convergence
Authors: Ryoma Sato, Han Bao, Kenta Niwa, Makoto Yamada Yuki Takezawa
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Decentralized learning has recently been attracting increasing attention for its applications in parallel computation and privacy preservation. Many recent studies stated that the underlying network topology with a faster consensus rate (a.k.a. spectral gap) leads to a better convergence rate and accuracy for decentralized learning. However, a topology with a fast consensus rate, e.g., the exponential graph, generally has a large maximum degree, which incurs significant communication costs. Thus, seeking topologies with both a fast consensus rate and small maximum degree is important. In this study, we propose a novel topology combining both a fast consensus rate and small maximum degree called the Base-$\left(k+1\right)$ Graph. Unlike the existing topologies, the Base-$\left(k+1\right)$ Graph enables all nodes to reach the exact consensus after a finite number of iterations for any number of nodes and maximum degree $k$. Thanks to this favorable property, the Base-$\left(k+1\right)$ Graph endows Decentralized SGD (DSGD) with both a faster convergence rate and more communication efficiency than the exponential graph. We conducted experiments with various topologies, demonstrating that the Base-$\left(k+1\right)$ Graph enables various decentralized learning methods to achieve higher accuracy with better communication efficiency than the existing topologies. Our code is available at https://github.com/yukiTakezawa/BaseGraph.
Alternating Updates for Efficient Transformers
Authors: Dylan Cutler, Nishanth Dikkala, Nikhil Ghosh, Rina Panigrahy, Xin Wang Cenk Baykal
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: It has been well established that increasing scale in deep transformer networks leads to improved quality and performance. However, this increase in scale often comes with prohibitive increases in compute cost and inference latency. We introduce Alternating Updates (AltUp), a simple-to-implement method to increase a model's capacity without the computational burden. AltUp enables the widening of the learned representation, i.e., the token embedding, while only incurring a negligible increase in latency. AltUp achieves this by working on a subblock of the widened representation at each layer and using a predict-and-correct mechanism to update the inactivated blocks. We present extensions of AltUp, such as its applicability to the sequence dimension, and demonstrate how AltUp can be synergistically combined with existing approaches, such as Sparse Mixture-of-Experts models, to obtain efficient models with even higher capacity. Our experiments on benchmark transformer models and language tasks demonstrate the consistent effectiveness of AltUp on a diverse set of scenarios. Notably, on SuperGLUE and SQuAD benchmarks, AltUp enables up to $87\%$ speedup relative to the dense baselines at the same accuracy.
Interpretable Prototype-based Graph Information Bottleneck
Authors: Sungwon Kim, Chanyoung Park Sangwoo Seo
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The success of Graph Neural Networks (GNNs) has led to a need for understanding their decision-making process and providing explanations for their predictions, which has given rise to explainable AI (XAI) that offers transparent explanations for black-box models. Recently, the use of prototypes has successfully improved the explainability of models by learning prototypes to imply training graphs that affect the prediction. However, these approaches tend to provide prototypes with excessive information from the entire graph, leading to the exclusion of key substructures or the inclusion of irrelevant substructures, which can limit both the interpretability and the performance of the model in downstream tasks. In this work, we propose a novel framework of explainable GNNs, called interpretable Prototype-based Graph Information Bottleneck (PGIB) that incorporates prototype learning within the information bottleneck framework to provide prototypes with the key subgraph from the input graph that is important for the model prediction. This is the first work that incorporates prototype learning into the process of identifying the key subgraphs that have a critical impact on the prediction performance. Extensive experiments, including qualitative analysis, demonstrate that PGIB outperforms state-of-the-art methods in terms of both prediction performance and explainability.
Self-Chained Image-Language Model for Video Localization and Question Answering
Authors: Jaemin Cho, Prateek Yadav, Mohit Bansal Shoubin Yu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent studies have shown promising results on utilizing large pre-trained image-language models for video question answering. While these image-language models can efficiently bootstrap the representation learning of video-language models, they typically concatenate uniformly sampled video frames as visual inputs without explicit language-aware, temporal modeling. When only a portion of a video input is relevant to the language query, such uniform frame sampling can often lead to missing important visual cues. Although humans often find a video moment to focus on and rewind the moment to answer questions, training a query-aware video moment localizer often requires expensive annotations and high computational costs. To address this issue, we propose Self-Chained Video Localization-Answering (SeViLA), a novel framework that leverages a single image-language model (BLIP- 2) to tackle both temporal keyframe localization and question answering on videos. SeViLA framework consists of two modules: Localizer and Answerer, where both are parameter-efficiently fine-tuned from BLIP-2. We propose two ways of chaining these modules for cascaded inference and self-refinement. First, in the forward chain, the Localizer finds multiple language-aware keyframes in a video, which the Answerer uses to predict the answer. Second, in the reverse chain, the Answerer generates keyframe pseudo-labels to refine the Localizer, alleviating the need for expensive video moment localization annotations. Our SeViLA framework outperforms several strong baselines/previous works on five challenging video question answering and event prediction benchmarks, and achieves the state-of-the-art in both fine-tuning (NExT-QA and STAR) and zero-shot (NExT-QA, STAR, How2QA, and VLEP) settings. We show a comprehensive analysis of our framework, including the impact of Localizer, comparisons of Localizer with other temporal localization models, pre-training/self-refinement of Localizer, and varying the number of keyframes.
The Tunnel Effect: Building Data Representations in Deep Neural Networks
Authors: Mateusz Ostaszewski, Ehsan Imani, Razvan Pascanu, Piotr Miłoś, Tomasz Trzcinski Wojciech Masarczyk
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Deep neural networks are widely known for their remarkable effectiveness across various tasks, with the consensus that deeper networks implicitly learn more complex data representations. This paper shows that sufficiently deep networks trained for supervised image classification split into two distinct parts that contribute to the resulting data representations differently. The initial layers create linearly-separable representations, while the subsequent layers, which we refer to as \textit{the tunnel}, compress these representations and have a minimal impact on the overall performance. We explore the tunnel's behavior through comprehensive empirical studies, highlighting that it emerges early in the training process. Its depth depends on the relation between the network's capacity and task complexity. Furthermore, we show that the tunnel degrades out-of-distribution generalization and discuss its implications for continual learning.
Restart Sampling for Improving Generative Processes
Authors: Mingyang Deng, Xiang Cheng, Yonglong Tian, Ziming Liu, Tommi Jaakkola Yilun Xu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Generative processes that involve solving differential equations, such as diffusion models, frequently necessitate balancing speed and quality. ODE-based samplers are fast but plateau in performance while SDE-based samplers deliver higher sample quality at the cost of increased sampling time.  We attribute this difference to sampling errors: ODE-samplers involve smaller discretization errors while stochasticity in SDE contracts accumulated errors. Based on these findings, we propose a novel sampling algorithm called \textit{Restart} in order to better balance discretization errors and contraction. The sampling method alternates between adding substantial noise in additional forward steps and strictly following a backward ODE. Empirically, Restart sampler surpasses previous SDE and ODE samplers in both speed and accuracy. Restart not only outperforms the previous best SDE results, but also accelerates the sampling speed by 10-fold / 2-fold on CIFAR-10 / ImageNet $64{\times} 64$. In addition, it attains significantly better sample quality than ODE samplers within comparable sampling times. Moreover, Restart better balances text-image alignment/visual quality versus diversity than previous samplers in the large-scale text-to-image Stable Diffusion model pre-trained on LAION $512{\times} 512$.  Code is available at https://github.com/Newbeeer/diffusion_restart_sampling
Constructing Non-isotropic Gaussian Diffusion Model Using Isotropic Gaussian Diffusion Model for Image Editing
Authors: Xiang Gu, Haozhi Liu, Jian Sun Xi Yu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Score-based diffusion models (SBDMs) have achieved state-of-the-art results in image generation. In this paper, we propose a Non-isotropic Gaussian Diffusion Model (NGDM) for image editing, which requires editing the source image while preserving the image regions irrelevant to the editing task. We construct NGDM by adding independent Gaussian noises with different variances to different image pixels. Instead of specifically training the NGDM, we rectify the NGDM into an isotropic Gaussian diffusion model with different pixels having different total forward diffusion time. We propose to reverse the diffusion by designing a sampling method that starts at different time for different pixels for denoising to generate images using the pre-trained isotropic Gaussian diffusion model. Experimental results show that NGDM achieves state-of-the-art performance for image editing tasks, considering the trade-off between the fidelity to the source image and alignment with the desired editing target.
Flocks of Stochastic Parrots: Differentially Private Prompt Learning for Large Language Models
Authors: Adam Dziedzic, Nicolas Papernot, Franziska Boenisch Haonan Duan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Large language models (LLMs) are excellent in-context learners. However, the sensitivity of data contained in prompts raises privacy concerns. Our work first shows that these concerns are valid: we instantiate a simple but highly effective membership inference attack against the data used to prompt LLMs. To address this vulnerability, one could forego prompting and resort to fine-tuning LLMs with known algorithms for private gradient descent. However, this comes at the expense of the practicality and efficiency offered by prompting. Therefore, we propose to privately learn to prompt. We first show that soft prompts can be obtained privately through gradient descent on downstream data. However, this is not the case for discrete prompts. Thus, we orchestrate a noisy vote among an ensemble of LLMs presented with different prompts, i.e., a flock of stochastic parrots. The vote privately transfers the flock's knowledge into a single public prompt. We show that LLMs prompted with our private algorithms closely match the non-private baselines. For example, using GPT3 as the base model, we achieve a downstream accuracy of 92.7% on the sst2 dataset with $(\varepsilon=0.147, \delta=10^{-6})$-differential privacy vs. 95.2% for the non-private baseline. Through our experiments, we also show that our prompt-based approach is easily deployed with existing commercial~APIs.
Dataset Diffusion: Diffusion-based Synthetic Data Generation for Pixel-Level Semantic Segmentation
Authors: Truong Vu, Anh Tran, Khoi Nguyen Quang Nguyen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Preparing training data for deep vision models is a labor-intensive task. To address this, generative models have emerged as an effective solution for generating synthetic data. While current generative models produce image-level category labels, we propose a novel method for generating pixel-level semantic segmentation labels using the text-to-image generative model Stable Diffusion (SD). By utilizing the text prompts, cross-attention, and self-attention of SD, we introduce three new techniques: class-prompt appending, class-prompt cross-attention, and self-attention exponentiation. These techniques enable us to generate segmentation maps corresponding to synthetic images. These maps serve as pseudo-labels for training semantic segmenters, eliminating the need for labor-intensive pixel-wise annotation. To account for the imperfections in our pseudo-labels, we incorporate uncertainty regions into the segmentation, allowing us to disregard loss from those regions. We conduct evaluations on two datasets, PASCAL VOC and MSCOCO, and our approach significantly outperforms concurrent work. Our benchmarks and code will be released at https://github.com/VinAIResearch/Dataset-Diffusion.
ASL Citizen: A Community-Sourced Dataset for Advancing Isolated Sign Language Recognition
Authors: Lauren Berger, Fyodor Minakov, Nessa Milano, Chinmay Singh, Kriston Pumphrey, Richard E. Ladner, Hal Daumé III, Alex X Lu, Naomi Caselli, Danielle Bragg Aashaka Desai
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: Sign languages are used as a primary language by approximately 70 million D/deaf people world-wide. However, most communication technologies operate in spoken and written languages, creating inequities in access. To help tackle this problem, we release ASL Citizen, the first crowdsourced Isolated Sign Language Recognition (ISLR) dataset, collected with consent and containing 83,399 videos for 2,731 distinct signs filmed by 52 signers in a variety of environments. We propose that this dataset be used for sign language dictionary retrieval for American Sign Language (ASL), where a user demonstrates a sign to their webcam to retrieve matching signs from a dictionary. We show that training supervised machine learning classifiers with our dataset advances the state-of-the-art on metrics relevant for dictionary retrieval, achieving 63\% accuracy and a recall-at-10 of 91\%, evaluated entirely on videos of users who are not present in the training or validation sets.
Learning-to-Rank Meets Language: Boosting Language-Driven Ordering Alignment for Ordinal Classification
Authors: Peipei Li, Huaibo Huang, Chunshui Cao, Ran He, Zhaofeng He Rui Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present a novel language-driven ordering alignment method for ordinal classification. The labels in ordinal classification contain additional ordering relations, making them prone to overfitting when relying solely on training data. Recent developments in pre-trained vision-language models inspire us to leverage the rich ordinal priors in human language by converting the original task into a vision-language alignment task. Consequently, we propose L2RCLIP, which fully utilizes the language priors from two perspectives. First, we introduce a complementary prompt tuning technique called RankFormer, designed to enhance the ordering relation of original rank prompts. It employs token-level attention with residual-style prompt blending in the word embedding space. Second, to further incorporate language priors, we revisit the approximate bound optimization of vanilla cross-entropy loss and restructure it within the cross-modal embedding space. Consequently, we propose a cross-modal ordinal pairwise loss to refine the CLIP feature space, where texts and images maintain both semantic alignment and ordering alignment.  Extensive experiments on three ordinal classification tasks, including facial age estimation, historical color image (HCI) classification, and aesthetic assessment demonstrate its promising performance.
GAUCHE: A Library for Gaussian Processes in Chemistry
Authors: Leo Klarner, Henry Moss, Aditya Ravuri, Sang Truong, Yuanqi Du, Samuel Stanton, Gary Tom, Bojana Rankovic, Arian Jamasb, Aryan Deshwal, Julius Schwartz, Austin Tripp, Gregory Kell, Simon Frieder, Anthony Bourached, Alex Chan, Jacob Moss, Chengzhi Guo, Johannes Peter Dürholt, Saudamini Chaurasia, Ji Won Park, Felix Strieth-Kalthoff, Alpha Lee, Bingqing Cheng, Alan Aspuru-Guzik, Philippe Schwaller, Jian Tang Ryan-Rhys Griffiths
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We introduce GAUCHE, an open-source library for GAUssian processes in CHEmistry. Gaussian processes have long been a cornerstone of probabilistic machine learning, affording particular advantages for uncertainty quantification and Bayesian optimisation. Extending Gaussian processes to molecular representations, however, necessitates kernels defined over structured inputs such as graphs, strings and bit vectors. By providing such kernels in a modular, robust and easy-to-use framework, we seek to enable expert chemists and materials scientists to make use of state-of-the-art black-box optimization techniques. Motivated by scenarios frequently encountered in practice, we showcase applications for GAUCHE in molecular discovery, chemical reaction optimisation and protein design. The codebase is made available at https://github.com/leojklarner/gauche.
Exponentially Convergent Algorithms for Supervised Matrix Factorization
Authors: Hanbaek Lyu, Weixin Yao Joowon Lee
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Supervised matrix factorization (SMF) is a classical machine learning method that simultaneously seeks feature extraction and classification tasks, which are not necessarily a priori aligned objectives. Our goal is to use SMF to learn low-rank latent factors that offer interpretable, data-reconstructive, and class-discriminative features, addressing challenges posed by high-dimensional data. Training SMF model involves solving a nonconvex and possibly constrained optimization with at least three blocks of parameters. Known algorithms are either heuristic or provide weak convergence guarantees for special cases. In this paper, we provide a novel framework that `lifts' SMF as a low-rank matrix estimation problem in a combined factor space and propose an efficient algorithm that provably converges exponentially fast to a global minimizer of the objective with arbitrary initialization under mild assumptions. Our framework applies to a wide range of SMF-type problems for multi-class classification with auxiliary features. To showcase an application, we demonstrate that our algorithm successfully identified well-known cancer-associated gene groups for various cancers.
InfoCD: A Contrastive Chamfer Distance Loss for Point Cloud Completion
Authors: Yun Yue, Ziming Zhang, Songlin Hou, Kazunori Yamada, Vijaya Kolachalama, Venkatesh Saligrama Fangzhou Lin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A point cloud is a discrete set of data points sampled from a 3D geometric surface. Chamfer distance (CD) is a popular metric and training loss to measure the distances between point clouds, but also well known to be sensitive to outliers. To address this issue, in this paper we propose InfoCD, a novel contrastive Chamfer distance loss to learn to spread the matched points for better distribution alignments between point clouds as well as accounting for a surface similarity estimator. We show that minimizing InfoCD is equivalent to maximizing a lower bound of the mutual information between the underlying geometric surfaces represented by the point clouds, leading to a regularized CD metric which is robust and computationally efficient for deep learning. We conduct comprehensive experiments for point cloud completion using InfoCD and observe significant improvements consistently over all the popular baseline networks trained with CD-based losses, leading to new state-of-the-art results on several benchmark datasets. Demo code is available at https://github.com/Zhang-VISLab/NeurIPS2023-InfoCD.
Differentially Private Statistical Inference through $\beta$-Divergence One Posterior Sampling
Authors: Sahra Ghalebikesabi, Chris C Holmes Jack E Jewson
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Differential privacy guarantees allow the results of a statistical analysis involving sensitive data to be released without compromising the privacy of any individual taking part. Achieving such guarantees generally requires the injection of noise, either directly into parameter estimates or into the estimation process. Instead of artificially introducing perturbations, sampling from Bayesian posterior distributions has been shown to be a special case of the exponential mechanism, producing consistent,and efficient private estimates without altering the data generative process. The application of current approaches has, however, been limited by their strong bounding assumptions which do not hold for basic models, such as simple linear regressors.To ameliorate this, we propose $\beta$D-Bayes, a posterior sampling  scheme from a generalised posterior targeting the minimisation of the $\beta$-divergence between the model and the data generating process. This provides private estimation that is generally applicable without requiring changes to the underlying model and consistently learns the data generating parameter. We show that $\beta$D-Bayes produces more precise inference estimation for the same privacy guarantees, and further facilitates differentially private estimation of complex classifiers, and continuous regression models such as neural networks, which goes beyond what has been currently possible with private posterior sampling.
Doubly Robust Augmented Transfer for Meta-Reinforcement Learning
Authors: Nuowen Kan, Chenglin Li, Wenrui Dai, Junni Zou, Hongkai Xiong Yuankun Jiang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Meta-reinforcement learning (Meta-RL), though enabling a fast adaptation to learn new skills by exploiting the common structure shared among different tasks, suffers performance degradation in the sparse-reward setting. Current hindsight-based sample transfer approaches can alleviate this issue by transferring relabeled trajectories from other tasks to a new task so as to provide informative experience for the target reward function, but are unfortunately constrained with the unrealistic assumption that tasks differ only in reward functions. In this paper, we propose a doubly robust augmented transfer (DRaT) approach, aiming at addressing the more general sparse reward meta-RL scenario with both dynamics mismatches and varying reward functions across tasks. Specifically, we design a doubly robust augmented estimator for efficient value-function evaluation, which tackles dynamics mismatches with the optimal importance weight of transition distributions achieved by minimizing the theoretically derived upper bound of mean squared error (MSE) between the estimated values of transferred samples and their true values in the target task. Due to its intractability, we then propose an interval-based approximation to this optimal importance weight, which is guaranteed to cover the optimum with a constrained and sample-independent upper bound on the MSE approximation error. Based on our theoretical findings, we finally develop a DRaT algorithm for transferring informative samples across tasks during the training of meta-RL. We implement DRaT on an off-policy meta-RL baseline, and empirically show that it significantly outperforms other hindsight-based approaches on various sparse-reward MuJoCo locomotion tasks with varying dynamics and reward functions.