mtybilly/Instruct2DS huggingface dataset:
Rank-DETR for High Quality Object Detection
Authors: Weicong Liang, Yiduo Hao, YUHUI YUAN, Yukang Yang, Chao Zhang, Han Hu, Gao Huang Yifan Pu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Modern detection transformers (DETRs) use a set of object queries to predict a list of bounding boxes, sort them by their classification confidence scores, and select the top-ranked predictions as the final detection results for the given input image. A highly performant object detector requires accurate ranking for the bounding box predictions. For DETR-based detectors, the top-ranked bounding boxes suffer from less accurate localization quality due to the misalignment between classification scores and localization accuracy, thus impeding the construction of high-quality detectors. In this work, we introduce a simple and highly performant DETR-based object detector by proposing a series of rank-oriented designs, combinedly called Rank-DETR. Our key contributions include: (i) a rank-oriented architecture design that can prompt positive predictions and suppress the negative ones to ensure lower false positive rates, as well as (ii) a rank-oriented loss function and matching cost design that prioritizes predictions of more accurate localization accuracy during ranking to boost the AP under high IoU thresholds. We apply our method to improve the recent SOTA methods (e.g., H-DETR and DINO-DETR) and report strong COCO object detection results when using different backbones such as ResNet-$50$, Swin-T, and Swin-L, demonstrating the effectiveness of our approach. Code is available at \url{https://github.com/LeapLabTHU/Rank-DETR}.
Towards Efficient Pre-Trained Language Model via Feature Correlation Distillation
Authors: Xin Guo, Meng Wang Kun Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Knowledge Distillation (KD) has emerged as a promising approach for compressing large Pre-trained Language Models (PLMs). The performance of KD relies on how to effectively formulate and transfer the knowledge from the teacher model to the student model. Prior arts mainly focus on directly aligning output features from the transformer block, which may impose overly strict constraints on the student model's learning process and complicate the training process by introducing extra parameters and computational cost. Moreover, our analysis indicates that the different relations within self-attention, as adopted in other works, involves more computation complexities and can easily be constrained by the number of heads, potentially leading to suboptimal solutions.  To address these issues, we propose a novel approach that builds relationships directly from output features. Specifically, we introduce token-level and sequence-level relations concurrently  to fully exploit the knowledge from the teacher model. Furthermore, we propose a correlation-based distillation loss to alleviate the exact match properties inherent in traditional KL divergence or MSE loss functions. Our method, dubbed FCD, presents a simple yet effective method to compress various architectures (BERT, RoBERTa, and GPT) and model sizes (base-size and large-size).  Extensive experimental results demonstrate that our distilled, smaller language models significantly surpass existing KD methods across various NLP tasks.
Simple and Asymmetric Graph Contrastive Learning without Augmentations
Authors: Huaisheng Zhu, Zhengyu Chen, Suhang Wang Teng Xiao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Graph Contrastive Learning (GCL) has shown superior performance in representation learning in graph-structured data. Despite their success, most existing GCL methods rely on prefabricated graph augmentation and homophily assumptions. Thus, they fail to generalize well to heterophilic graphs where connected nodes may have different class labels and dissimilar features. In this paper, we study the problem of conducting contrastive learning on homophilic and heterophilic graphs. We find that we can achieve promising performance simply by considering an asymmetric view of the neighboring nodes. The resulting simple algorithm, Asymmetric Contrastive Learning for Graphs (GraphACL), is easy to implement and does not rely on graph augmentations and homophily assumptions. We provide theoretical and empirical evidence that GraphACL can capture one-hop local neighborhood information and two-hop monophily similarity, which are both important for modeling heterophilic graphs. Experimental results show that the simple GraphACL significantly outperforms state-of-the-art graph contrastive learning and self-supervised learning methods on  homophilic and heterophilic graphs. The code of GraphACL is available at https://github.com/tengxiao1/GraphACL.
Large-Scale Distributed Learning via Private On-Device LSH
Authors: Marco Bornstein, Furong Huang Tahseen Rabbani
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Locality-sensitive hashing (LSH) based frameworks have been used efficiently to select weight vectors in a dense hidden layer with high cosine similarity to an input, enabling dynamic pruning.  While this type of scheme has been shown to improve computational training efficiency, existing algorithms require repeated randomized projection of the full layer weight, which is impractical for computational- and memory-constrained devices.  In a distributed setting, deferring LSH analysis to a centralized host is (i) slow if the device cluster is large and (ii) requires access to input data which is forbidden in a federated context.  Using a new family of hash functions, we develop the first private, personalized, and memory-efficient on-device LSH framework.Our framework enables privacy and personalization by allowing each device to generate hash tables, without the help of a central host, using device-specific hashing hyper-parameters (e.g., number of hash tables or hash length).Hash tables are generated with a compressed set of the full weights, and can be serially generated and discarded if the process is memory-intensive.This allows devices to avoid maintaining (i) the fully-sized model and (ii) large amounts of hash tables in local memory for LSH analysis. We prove several statistical and sensitivity properties of our hash functions, and experimentally demonstrate that our framework is competitive in training large scale recommender networks compared to other LSH frameworks which assume unrestricted on-device capacity.
Facilitating Graph Neural Networks with Random Walk on Simplicial Complexes
Authors: Xiyuan Wang, Muhan Zhang Cai Zhou
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Node-level random walk has been widely used to improve Graph Neural Networks. However, there is limited attention to random walk on edge and, more generally, on $k$-simplices. This paper systematically analyzes how random walk on different orders of simplicial complexes (SC) facilitates GNNs in their theoretical expressivity. First, on $0$-simplices or node level, we establish a connection between existing positional encoding (PE) and structure encoding (SE) methods through the bridge of random walk. Second, on $1$-simplices or edge level, we bridge edge-level random walk and Hodge $1$-Laplacians and design corresponding edge PE respectively. In spatial domain, we directly make use of edge level random walk to construct EdgeRWSE. Based on spectral analysis of Hodge $1$-Laplcians, we propose Hodge1Lap, a permutation equivariant and expressive edge-level positional encoding. Third, we generalize our theory to random walk on higher-order simplices and propose the general principle to design PE on simplices based on random walk and Hodge Laplacians. Inter-level random walk is also introduced to unify a wide range of simplicial networks. Extensive experiments verify the effectiveness of our random walk-based methods.
Koopman Kernel Regression
Authors: Max Beier, Armin Lederer, Stefan Sosnowski, Eyke Hüllermeier, Sandra Hirche Petar Bevanda
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Many machine learning approaches for decision making, such as reinforcement learning, rely on simulators or predictive models to forecast the time-evolution of quantities of interest, e.g., the state of an agent or the reward of a policy. Forecasts of such complex phenomena are commonly described by highly nonlinear dynamical systems, making their use in optimization-based decision-making challenging.Koopman operator theory offers a beneficial paradigm for addressing this problem by characterizing forecasts via linear time-invariant (LTI) ODEs, turning multi-step forecasts into sparse matrix multiplication.Though there exists a variety of learning approaches, they usually lack crucial learning-theoretic guarantees, making the behavior of the obtained models with increasing data and dimensionality unclear.We address the aforementioned by deriving a universal Koopman-invariant reproducing kernel Hilbert space (RKHS) that solely spans transformations into LTI dynamical systems. The resulting Koopman Kernel Regression (KKR) framework enables the use of statistical learning tools from function approximation for novel convergence results and generalization error bounds under weaker assumptions than existing work. Our experiments demonstrate superior forecasting performance compared to Koopman operator and sequential data predictors in RKHS.
Diffusion Self-Guidance for Controllable Image Generation
Authors: Allan Jabri, Ben Poole, Alexei Efros, Aleksander Holynski Dave Epstein
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Large-scale generative models are capable of producing high-quality images from detailed prompts. However, many aspects of an image are difficult or impossible to convey through text. We introduce self-guidance, a method that provides precise control over properties of the generated image by guiding the internal representations of diffusion models. We demonstrate that the size, location, and appearance of objects can be extracted from these representations, and show how to use them to steer the sampling process. Self-guidance operates similarly to standard classifier guidance, but uses signals present in the pretrained model itself, requiring no additional models or training. We demonstrate the flexibility and effectiveness of self-guided generation through a wide range of challenging image manipulations, such as modifying the position or size of a single object (keeping the rest of the image unchanged), merging the appearance of objects in one image with the layout of another, composing objects from multiple images into one, and more. We also propose a new method for reconstruction using self-guidance, which allows extending our approach to editing real images.
Neural (Tangent Kernel) Collapse
Authors: Dana Weitzner, Raja Giryes, Gitta Kutyniok, Hung-Hsu Chou Mariia Seleznova
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This work bridges two important concepts: the Neural Tangent Kernel (NTK), which captures the evolution of deep neural networks (DNNs) during training, and the Neural Collapse (NC) phenomenon, which refers to the emergence of symmetry and structure in the last-layer features of well-trained classification DNNs. We adopt the natural assumption that the empirical NTK develops a block structure aligned with the class labels, i.e., samples within the same class have stronger correlations than samples from different classes. Under this assumption, we derive the dynamics of DNNs trained with mean squared (MSE) loss and break them into interpretable phases. Moreover, we identify an invariant that captures the essence of the dynamics, and use it to prove the emergence of NC in DNNs with block-structured NTK. We provide large-scale numerical experiments on three common DNN architectures and three benchmark datasets to support our theory.
Fast Optimal Locally Private Mean Estimation via Random Projections
Authors: Vitaly Feldman, Jelani Nelson, Huy Nguyen, Kunal Talwar Hilal Asi
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study the problem of locally private mean estimation of high-dimensional vectors in the Euclidean ball. Existing algorithms for this problem either incur sub-optimal error or have high communication and/or run-time complexity. We propose a new algorithmic framework, namely ProjUnit, for private mean estimation that yields algorithms that are computationally efficient, have low communication complexity, and incur optimal error up to a $1+o(1)$-factor. Our framework is deceptively simple: each randomizer projects its input to a random low-dimensional subspace and then runs an optimal algorithm such a PrivUnitG in the lower dimensional space. We analyze the error of the algorithm in terms of properties of the random projection ensemble, and study two instantiations. We conduct several experiments for private mean estimation and private federated learning which demonstrate that our algorithms obtain nearly the same utility as optimal algorithms while having significantly lower communication and computational cost.
Expert load matters: operating networks at high accuracy and low manual effort
Authors: Ertunc Erdil, Ender Konukoglu Sara Sangalli
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In human-AI collaboration systems for critical applications, in order to ensure minimal error, users should set an operating point based on model confidence to determine when the decision should be delegated to human experts. Samples for which model confidence is lower than the operating point would be manually analysed by experts to avoid mistakes.Such systems can become truly useful only if they consider two aspects: models should be confident only for samples for which they are accurate, and the number of samples delegated to experts should be minimized.The latter aspect is especially crucial for applications where available expert time is limited and expensive, such as healthcare. The trade-off between the model accuracy and the number of samples delegated to experts can be represented by a curve that is similar to an ROC curve, which we refer to as confidence operating characteristic (COC) curve. In this paper, we argue that deep neural networks should be trained by taking into account both accuracy and expert load and, to that end, propose a new complementary loss function for classification that maximizes the area under this COC curve.This promotes simultaneously the increase in network accuracy and the reduction in number of samples delegated to humans.We perform experiments on multiple computer vision and medical image datasets for classification.Our results demonstrate that the proposed loss improves classification accuracy and delegates less number of decisions to experts, achieves better out-of-distribution samples detection and on par calibration performance compared to existing loss functions.
PRODIGY: Enabling In-context Learning Over Graphs
Authors: Hongyu Ren, Peng Chen, Gregor Kržmanc, Daniel Zeng, Percy Liang, Jure Leskovec Qian Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: In-context learning is the ability of a pretrained model to  adapt to novel and diverse downstream tasks by conditioning on prompt examples, without optimizing any parameters. While large language models have demonstrated this ability, how in-context learning could be performed over graphs is unexplored. In this paper, we develop \textbf{Pr}etraining \textbf{O}ver \textbf{D}iverse \textbf{I}n-Context  \textbf{G}raph S\textbf{y}stems (PRODIGY), the first pretraining framework that enables in-context learning over graphs. The key idea of our framework is to formulate in-context learning over graphs with a novel \emph{prompt graph} representation, which connects prompt examples and queries. We then propose a graph neural network architecture over the prompt graph and a corresponding family of in-context pretraining objectives. With PRODIGY, the pretrained model can directly perform novel downstream classification tasks on unseen graphs via in-context learning. We provide empirical evidence of the effectiveness of our framework by showcasing its strong in-context learning performance on tasks involving citation networks and knowledge graphs. Our approach outperforms the in-context learning accuracy of contrastive pretraining baselines with hard-coded adaptation by 18\% on average across all setups. Moreover, it also outperforms standard finetuning with limited data by 33\% on average with in-context learning.
Towards Automated Circuit Discovery for Mechanistic Interpretability
Authors: Augustine Mavor-Parker, Aengus Lynch, Stefan Heimersheim, Adrià Garriga-Alonso Arthur Conmy
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Through considerable effort and intuition, several recent works have reverse-engineered nontrivial behaviors oftransformer models. This paper systematizes the mechanistic interpretability process they followed. First, researcherschoose a metric and dataset that elicit the desired model behavior. Then, they apply activation patching to find whichabstract neural network units are involved in the behavior. By varying the dataset, metric, and units underinvestigation, researchers can understand the functionality of each component.We automate one of the process' steps: finding the connections between the abstract neural network units that form a circuit. We propose several algorithms and reproduce previous interpretability results to validate them. Forexample, the ACDC algorithm rediscovered 5/5 of the component types in a circuit in GPT-2 Small that computes theGreater-Than operation. ACDC selected 68 of the 32,000 edges in GPT-2 Small, all of which were manually found byprevious work. Our code is available at https://github.com/ArthurConmy/Automatic-Circuit-Discovery
Find What You Want: Learning Demand-conditioned Object Attribute Space for Demand-driven Navigation
Authors: Andy Guan Hong Chen, Xiaoqi Li, Mingdong Wu, Hao Dong Hongcheng Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The task of Visual Object Navigation (VON) involves an agent's ability to locate a particular object within a given scene. To successfully accomplish the VON task, two essential conditions must be fulfiled:  1) the user knows the name of the desired object; and 2) the user-specified object actually is present within the scene. To meet these conditions, a simulator can incorporate predefined object names and positions into the metadata of the scene. However, in real-world scenarios, it is often challenging to ensure that these conditions are always met. Humans in an unfamiliar environment may not know which objects are present in the scene, or they may mistakenly specify an object that is not actually present.  Nevertheless, despite these challenges, humans may still have a demand for an object, which could potentially be fulfilled by other objects present within the scene in an equivalent manner. Hence, this paper proposes Demand-driven Navigation (DDN), which leverages the user's demand as the task instruction and prompts the agent to find an object which matches the specified demand. DDN aims to relax the stringent conditions of VON by focusing on fulfilling the user's demand rather than relying solely on specified object names. This paper proposes a method of acquiring textual attribute features of objects by extracting common sense knowledge  from a large language model (LLM). These textual attribute features are subsequently aligned with visual attribute features using Contrastive Language-Image Pre-training (CLIP). Incorporating the visual attribute features as prior knowledge, enhances the navigation process. Experiments on AI2Thor with the ProcThor dataset demonstrate that the visual attribute features improve the agent's navigation performance and outperform the baseline methods commonly used in the VON and VLN task and methods with LLMs. The codes and demonstrations can be viewed at https://sites.google.com/view/demand-driven-navigation.
On the Convergence of No-Regret Learning Dynamics in Time-Varying Games
Authors: Ioannis Panageas, Gabriele Farina, Tuomas Sandholm Ioannis Anagnostides
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Most of the literature on learning in games has focused on the restrictive setting where the underlying repeated game does not change over time. Much less is known about the convergence of no-regret learning algorithms in dynamic multiagent settings. In this paper, we characterize the convergence of optimistic gradient descent (OGD) in time-varying games. Our framework yields sharp convergence bounds for the equilibrium gap of OGD in zero-sum games parameterized on natural variation measures of the sequence of games, subsuming known results for static games. Furthermore, we establish improved second-order variation bounds under strong convexity-concavity, as long as each game is repeated multiple times. Our results also apply to time-varying general-sum multi-player games via a bilinear formulation of correlated equilibria, which has novel implications for meta-learning and for obtaining refined variation-dependent regret bounds, addressing questions left open in prior papers. Finally, we leverage our framework to also provide new insights on dynamic regret guarantees in static games.
Getting ViT in Shape: Scaling Laws for Compute-Optimal Model Design
Authors: Xiaohua Zhai, Alexander Kolesnikov, Lucas Beyer Ibrahim M Alabdulmohsin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Scaling laws have been recently employed to derive compute-optimal model size (number of parameters) for a given compute duration. We advance and refine such methods to infer compute-optimal model shapes, such as width and depth, and successfully implement this in vision transformers. Our shape-optimized vision transformer, SoViT, achieves results competitive with models that exceed twice its size, despite being pre-trained with an equivalent amount of  compute. For example, SoViT-400m/14 achieves 90.3% fine-tuning accuracy on ILSRCV2012, surpassing the much larger ViT-g/14 and approaching ViT-G/14 under identical settings, with also less than half the inference cost. We conduct a thorough evaluation across multiple tasks, such as image classification, captioning, VQA and zero-shot transfer, demonstrating the effectiveness of our model across a broad range of domains and identifying limitations. Overall, our findings challenge the prevailing approach of blindly scaling up vision models and pave a path for a more informed scaling.
Expressive Sign Equivariant Networks for Spectral Geometric Learning
Authors: Joshua W. Robinson, Stefanie Jegelka, Haggai Maron Derek Lim
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Recent work has shown the utility of developing machine learning models that respect the structure and symmetries of eigenvectors. These works promote sign invariance, since for any eigenvector v the negation -v is also an eigenvector. However, we show that sign invariance is theoretically limited for tasks such as building orthogonally equivariant models and learning node positional encodings for link prediction in graphs. In this work, we demonstrate the benefits of sign equivariance for these tasks. To obtain these benefits, we develop novel sign equivariant neural network architectures. Our models are based on a new analytic characterization of sign equivariant polynomials and thus inherit provable expressiveness properties. Controlled synthetic experiments show that our networks can achieve the theoretically predicted benefits of sign equivariant models.
FLAIR : a Country-Scale Land Cover Semantic Segmentation Dataset From Multi-Source Optical Imagery
Authors: Nicolas Gonthier, Loic Landrieu, Apolline De Wit, Marion Valette, Marc Poupée, Sebastien Giordano, boris Wattrelos Anatol Garioud
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: We introduce the French Land cover from Aerospace ImageRy (FLAIR), an extensive dataset from the French National Institute of Geographical and Forest Information (IGN) that provides a unique and rich resource for large-scale geospatial analysis. FLAIR contains high-resolution aerial imagery with a ground sample distance of 20 cm and over 20 billion individually labeled pixels for precise land-cover classification. The dataset also integrates temporal and spectral data from optical satellite time series. FLAIR thus combines data with varying spatial, spectral, and temporal resolutions across over 817 km² of acquisitions representing the full landscape diversity of France. This diversity makes FLAIR a valuable resource for the development and evaluation of novel methods for large-scale land-cover semantic segmentation and raises significant challenges in terms of computer vision, data fusion, and geospatial analysis. We also provide powerful uni- and multi-sensor baseline models that can be employed to assess algorithm's performance and for downstream applications.
Strategic Data Sharing between Competitors
Authors: Nikola Konstantinov Nikita Tsoy
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Collaborative learning techniques have significantly advanced in recent years, enabling private model training across multiple organizations. Despite this opportunity, firms face a dilemma when considering data sharing with competitors—while collaboration can improve a company’s machine learning model, it may also benefit competitors and hence reduce profits. In this work, we introduce a general framework for analyzing this data-sharing trade-off. The framework consists of three components, representing the firms’ production decisions, the effect of additional data on model quality, and the data-sharing negotiation process, respectively. We then study an instantiation of the framework, based on a conventional market model from economic theory, to identify key factors that affect collaboration incentives. Our findings indicate a profound impact of market conditions on the data-sharing incentives. In particular, we find that reduced competition, in terms of the similarities between the firms’ products, and harder learning tasks foster collaboration.
Optimal Time Complexities of Parallel Stochastic Optimization Methods Under a Fixed Computation Model
Authors: Peter Richtarik Alexander Tyurin
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Parallelization is a popular strategy for improving the performance of methods. Optimization methods are no exception: design of efficient parallel optimization methods and tight analysis of their theoretical properties are important research endeavors. While the minimax complexities are well known for sequential optimization methods, the theory of parallel optimization methods is less explored. In this paper, we propose a new protocol that generalizes the classical oracle framework approach. Using this protocol, we establish minimax complexities for parallel optimization methods that have access to an unbiased stochastic gradient oracle with bounded variance. We consider a fixed computation model characterized by each worker requiring a fixed but worker-dependent time to calculate stochastic gradient. We prove lower bounds and develop optimal algorithms that attain them. Our results have surprising consequences for the literature of asynchronous optimization methods.
An $\varepsilon$-Best-Arm Identification Algorithm for Fixed-Confidence and Beyond
Authors: Rémy Degenne, Emilie Kaufmann Marc Jourdan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We propose EB-TC$\varepsilon$, a novel sampling rule for $\varepsilon$-best arm identification in stochastic bandits.It is the first instance of Top Two algorithm analyzed for approximate best arm identification. EB-TC$\varepsilon$ is an *anytime* sampling rule that can therefore be employed without modification for fixed confidence or fixed budget identification (without prior knowledge of the budget).We provide three types of theoretical guarantees for EB-TC$\varepsilon$.First, we prove bounds on its expected sample complexity in the fixed confidence setting, notably showing its asymptotic optimality in combination with an adaptive tuning of its exploration parameter.We complement these findings with upper bounds on its probability of error at any time and for any slack parameter, which further yield upper bounds on its simple regret at any time.Finally, we show through numerical simulations that EB-TC$\varepsilon$ performs favorably compared to existing algorithms for different approximate best arm identification tasks.
Debiased and Denoised Entity Recognition from Distant Supervision
Authors: Yiwen Dong, Ruixuan Xiao, Fei Huang, Gang Chen, Junbo Zhao Haobo Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: While distant supervision has been extensively explored and exploited in NLP tasks like named entity recognition, a major obstacle stems from the inevitable noisy distant labels tagged unsupervisedly. A few past works approach this problem by adopting a self-training framework with a sample-selection mechanism. In this work, we innovatively identify two types of biases that were omitted by prior work, and these biases lead to inferior performance of the distant-supervised NER setup. First, we characterize the noise concealed in the distant labels as highly structural rather than fully randomized. Second, the self-training framework would ubiquitously introduce an inherent bias that causes erroneous behavior in both sample selection and eventually prediction. To cope with these problems, we propose a novel self-training framework, dubbed DesERT. This framework augments the conventional NER predicative pathway to a dual form that effectively adapts the sample-selection process to conform to its innate distributional-bias structure. The other crucial component of DesERT composes a debiased module aiming to enhance the token representations, hence the quality of the pseudo-labels. Extensive experiments are conducted to validate the DesERT. The results show that our framework establishes a new state-of-art performance, it achieves a +2.22% average F1 score improvement on five standardized benchmarking datasets. Lastly, DesERT demonstrates its effectiveness under a new DSNER benchmark where additional distant supervision comes from the ChatGPT model.
Accelerated Training via Incrementally Growing Neural Networks using Variance Transfer and Learning Rate Adaptation
Authors: Pedro Savarese, Michael Maire Xin Yuan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We develop an approach to efficiently grow neural networks, within which parameterization and optimization strategies are designed by considering their effects on the training dynamics.  Unlike existing growing methods, which follow simple replication heuristics or utilize auxiliary gradient-based local optimization, we craft a parameterization scheme which dynamically stabilizes weight, activation, and gradient scaling as the architecture evolves, and maintains the inference functionality of the network.  To address the optimization difficulty resulting from imbalanced training effort distributed to subnetworks fading in at different growth phases, we propose a learning rate adaption mechanism that rebalances the gradient contribution of these separate subcomponents.  Experiments show that our method achieves comparable or better accuracy than training large fixed-size models, while saving a substantial portion of the original training computation budget.  We demonstrate that these gains translate into real wall-clock training speedups.
Likelihood-Based Diffusion Language Models
Authors: Tatsunori B Hashimoto Ishaan Gulrajani
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Despite a growing interest in diffusion-based language models, existing work has not shown that these models can attain nontrivial likelihoods on standard language modeling benchmarks. In this work, we take the first steps towards closing the likelihood gap between autoregressive and diffusion-based language models, with the goal of building and releasing a diffusion model which outperforms a small but widely-known autoregressive model. We pursue this goal through algorithmic improvements, scaling laws, and increased compute. On the algorithmic front, we introduce several methodological improvements for the maximum-likelihood training of diffusion language models. We then study scaling laws for our diffusion models and find compute-optimal training regimes which differ substantially from autoregressive models. Using our methods and scaling analysis, we train and release Plaid 1B, a large diffusion language model which outperforms GPT-2 124M in likelihood on benchmark datasets and generates fluent samples in unconditional and zero-shot control settings.
Structural Pruning for Diffusion Models
Authors: Xinyin Ma, Xinchao Wang Gongfan Fang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Generative modeling has recently undergone remarkable advancements, primarily propelled by the transformative implications of Diffusion Probabilistic Models (DPMs). The impressive capability of these models, however, often entails significant computational overhead during both training and inference. To tackle this challenge, we present Diff-Pruning, an efficient compression method tailored for learning lightweight diffusion models from pre-existing ones, without the need for extensive re-training. The essence of Diff-Pruning is encapsulated in a Taylor expansion over pruned timesteps, a process that disregards non-contributory diffusion steps and ensembles informative gradients to identify important weights. Our empirical assessment, undertaken across several datasets highlights two primary benefits of our proposed method: 1) Efficiency: it enables approximately a 50\% reduction in FLOPs at a mere 10% to 20% of the original training expenditure; 2) Consistency: the pruned diffusion models inherently preserve generative behavior congruent with their pre-trained models.
Fast and Regret Optimal Best Arm Identification: Fundamental Limits and Low-Complexity Algorithms
Authors: Lei Ying Qining Zhang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper considers a stochastic Multi-Armed Bandit (MAB) problem with dual objectives: (i) quick identification and commitment to the optimal arm, and (ii) reward maximization throughout a sequence of $T$ consecutive rounds. Though each objective has been individually well-studied, i.e., best arm identification for (i) and regret minimization for (ii), the simultaneous realization of both objectives remains an open problem, despite its practical importance. This paper introduces \emph{Regret Optimal Best Arm Identification} (ROBAI) which aims to achieve these dual objectives. To solve ROBAI with both pre-determined stopping time and adaptive stopping time requirements, we present an algorithm called EOCP and its variants respectively, which not only achieve asymptotic optimal regret in both Gaussian and general bandits, but also commit to the optimal arm in $\mathcal{O}(\log T)$ rounds with pre-determined stopping time and $\mathcal{O}(\log^2 T)$ rounds with adaptive stopping time. We further characterize lower bounds on the commitment time (equivalent to the sample complexity) of ROBAI, showing that EOCP and its variants are sample optimal with pre-determined stopping time, and almost sample optimal with adaptive stopping time. Numerical results confirm our theoretical analysis and reveal an interesting ``over-exploration'' phenomenon carried by classic UCB algorithms, such that EOCP has smaller regret even though it stops exploration much earlier than UCB, i.e., $\mathcal{O}(\log T)$ versus $\mathcal{O}(T)$, which suggests over-exploration is unnecessary and potentially harmful to system performance.
Simultaneous embedding of multiple attractor manifolds in a recurrent neural network using constrained gradient optimization
Authors: Yoram Burak Haggai Agmon
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The storage of continuous variables in working memory is hypothesized to be sustained in the brain by the dynamics of recurrent neural networks (RNNs) whose steady states form continuous manifolds. In some cases, it is thought that the synaptic connectivity supports multiple attractor manifolds, each mapped to a different context or task. For example, in hippocampal area CA3, positions in distinct environments are represented by distinct sets of population activity patterns, each forming a continuum. It has been argued that the embedding of multiple continuous attractors in a single RNN inevitably causes detrimental interference: quenched noise in the synaptic connectivity disrupts the continuity of each attractor, replacing it by a discrete set of steady states that can be conceptualized as lying on local minima of an abstract energy landscape. Consequently, population activity patterns exhibit systematic drifts towards one of these discrete minima, thereby degrading the stored memory over time. Here we show that it is possible to dramatically attenuate these detrimental interference effects by adjusting the synaptic weights. Synaptic weight adjustment are derived from a loss function that quantifies the roughness of the energy landscape along each of the embedded attractor manifolds. By minimizing this loss function, the stability of states can be dramatically improved, without compromising the capacity.
Enhancing Adversarial Contrastive Learning via Adversarial Invariant Regularization
Authors: Jingfeng ZHANG, Feng Liu, Masashi Sugiyama, Mohan S Kankanhalli Xilie Xu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Adversarial contrastive learning (ACL) is a technique that enhances standard contrastive learning (SCL) by incorporating adversarial data to learn a robust representation that can withstand adversarial attacks and common corruptions without requiring costly annotations. To improve transferability, the existing work introduced the standard invariant regularization (SIR) to impose style-independence property to SCL, which can exempt the impact of nuisance style factors in the standard representation. However, it is unclear how the style-independence property benefits ACL-learned robust representations. In this paper, we leverage the technique of causal reasoning to interpret the ACL and propose adversarial invariant regularization (AIR) to enforce independence from style factors. We regulate the ACL using both SIR and AIR to output the robust representation. Theoretically, we show that AIR implicitly encourages the representational distance between different views of natural data and their adversarial variants to be independent of style factors. Empirically, our experimental results show that invariant regularization significantly improves the performance of state-of-the-art ACL methods in terms of both standard generalization and robustness on downstream tasks. To the best of our knowledge, we are the first to apply causal reasoning to interpret ACL and develop AIR for enhancing ACL-learned robust representations. Our source code is at https://github.com/GodXuxilie/EnhancingACLvia_AIR.
Best Arm Identification with Fixed Budget: A Large Deviation Perspective
Authors: Ruo-Chun Tzeng, Alexandre Proutiere Po-An Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of identifying the best arm in stochastic Multi-Armed Bandits (MABs) using a fixed sampling budget. Characterizing the minimal instance-specific error probability for this problem constitutes one of the important remaining open problems in MABs. When arms are selected using a static sampling strategy, the error probability decays exponentially with the number of samples at a rate that can be explicitly derived via Large Deviation techniques. Analyzing the performance of algorithms with adaptive sampling strategies is however much more challenging. In this paper, we establish a connection between the Large Deviation Principle (LDP) satisfied by the empirical proportions of arm draws and that satisfied by the empirical arm rewards. This connection holds for any adaptive algorithm, and is leveraged (i) to improve error probability upper bounds of some existing algorithms, such as the celebrated SR (Successive Rejects) algorithm \cite{audibert2010best}, and (ii) to devise and analyze new algorithms. In particular, we present CR (Continuous Rejects), a truly adaptive algorithm that can reject arms in {\it any} round based on the observed empirical gaps between the rewards of various arms. Applying our Large Deviation results, we prove that CR enjoys better performance guarantees than existing algorithms, including SR. Extensive numerical experiments confirm this observation.
Full-Atom Protein Pocket Design via Iterative Refinement
Authors: Zepu Lu, Hao Zhongkai, Marinka Zitnik, Qi Liu ZAIXI ZHANG
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The design of \emph{de novo} functional proteins that bind with specific ligand molecules is crucial in various domains like therapeutics and bio-engineering. One vital yet challenging step is to design the protein pocket, the cavity region of protein where the ligand binds with. Existing methods suffer from inefficient generation, insufficient context modeling (ligand molecule), and incapability of generating sidechain atoms. To overcome the limitations, we propose a \textbf{F}ull-\textbf{A}tom \textbf{I}terative \textbf{R}efinement framework (\textbf{FAIR}) for protein pocket sequence (i.e., residue types) and 3D structure co-design. Generally, FAIR consists of two steps that follow a coarse-to-fine pipeline (backbone atoms to full atoms including sidechain) for full-atom generation. For efficiency, all residue types and structures are updated together in each round (i.e., full-shot refinement). In the first step, the residue types and backbone coordinates are updated with a hierarchical context encoder and two structure refinement modules capturing inter-residue and pocket-ligand interactions. The second step further models the sidechain atoms of pockets and updates residue types to achieve sequence-structure consistency. The structure of the binding ligand is also updated along with the above refinement iterations accounting for its flexibility. Finally, extensive evaluations showthat FAIR outperforms baselines in efficiently designing high-quality pocket sequences and structures. Specifically, the average improvements on AAR and RMSD are over 10$\%$.
Flow Matching for Scalable Simulation-Based Inference
Authors: Maximilian Dax, Simon Buchholz, Stephen Green, Jakob H Macke, Bernhard Schölkopf Jonas Wildberger
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Neural posterior estimation methods based on discrete normalizing flows have become established tools for simulation-based inference (SBI), but scaling them to high-dimensional problems can be challenging. Building on recent advances in generative modeling, we here present flow matching posterior estimation (FMPE), a technique for SBI using continuous normalizing flows. Like diffusion models, and in contrast to discrete flows, flow matching allows for unconstrained architectures, providing enhanced flexibility for complex data modalities. Flow matching, therefore, enables exact density evaluation, fast training, and seamless scalability to large architectures---making it ideal for SBI. We show that FMPE achieves competitive performance on an established SBI benchmark, and then demonstrate its improved scalability on a challenging scientific problem: for gravitational-wave inference, FMPE outperforms methods based on comparable discrete flows, reducing training time by 30\% with substantially improved accuracy. Our work underscores the potential of FMPE to enhance performance in challenging inference scenarios, thereby paving the way for more advanced applications to scientific problems.
Learning DAGs from Data with Few Root Causes
Authors: Chris Wendler, Markus Püschel Panagiotis Misiakos
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present a novel perspective and algorithm for learning directed acyclic graphs (DAGs) from data generated by a linear structural equation model (SEM). First, we show that a linear SEM can be viewed as a linear transform that, in prior work, computes the data from a dense input vector of random valued root causes (as we will call them) associated with the nodes. Instead, we consider the case of (approximately) few root causes and also introduce noise in the measurement of the data. Intuitively, this means that the DAG data is produced by few data generating events whose effect percolates through the DAG. We prove identifiability in this new setting and show that the true DAG is the global minimizer of the $L^0$-norm of the vector of root causes. For data satisfying the few root causes assumption, we show superior performance compared to prior DAG learning methods.
Robust Learning for Smoothed Online Convex Optimization with Feedback Delay
Authors: Jianyi Yang, Adam Wierman, Shaolei Ren Pengfei Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We study a general form of Smoothed Online Convex Optimization, a.k.a. SOCO, including multi-step switching costs and feedback delay. We propose a novel machine learning (ML) augmented online algorithm, Robustness-Constrained Learning (RCL), which combines untrusted ML predictions with a trusted expert online algorithm via constrained projection to robustify the ML prediction. Specifically, we prove that RCL is able to guarantee $(1+\lambda)$-competitiveness against any given expert for any $\lambda>0$, while also explicitly training the ML model in a robustification-aware manner to improve the average-case performance. Importantly, RCL is the first ML-augmented algorithm with a provable robustness guarantee in the case of multi-step switching cost and feedback delay. We demonstrate the improvement of RCL in both robustness and average performance using battery management as a case study.