GenAI4ELab/papercli-papers huggingface dataset:
Contrastive Training of Complex-Valued Autoencoders for Object Discovery
Authors: Aleksandar Stanić; Anand Gopalakrishnan; Kazuki Irie; Jürgen Schmidhuber
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Current state-of-the-art object-centric models use slots and attention-based routing for binding. However, this class of models has several conceptual limitations: the number of slots is hardwired; all slots have equal capacity; training has high computational cost; there are no object-level relational factors within slots. Synchrony-based models in principle can address these limitations by using complex-valued activations which store binding information in their phase components. However, working examples of such synchrony-based models have been developed only very recently, and are still limited to toy grayscale datasets and simultaneous storage of less than three objects in practice. Here we introduce architectural modifications and a novel contrastive learning method that greatly improve the state-of-the-art synchrony-based model. For the first time, we obtain a class of synchrony-based models capable of discovering objects in an unsupervised manner in multi-object color datasets and simultaneously representing more than three objects.
Theoretical and Practical Perspectives on what Influence Functions Do
Authors: Andrea Schioppa; Katja Filippova; Ivan Titov; Polina Zablotskaia
Venue: NeurIPS 2023 (NeurIPS 2023 spotlight)

Abstract: Influence functions (IF) have been seen as a technique for explaining model predictions through the lens of the training data. Their utility is assumed to be in identifying training examples "responsible" for a prediction so that, for example, correcting a prediction is possible by intervening on those examples (removing or editing them) and retraining the model. However, recent empirical studies have shown that the existing methods of estimating IF predict the leave-one-out-and-retrain effect poorly. 
In order to understand the mismatch between the theoretical promise and the practical results, we analyse five assumptions made by IF methods which are problematic for modern-scale deep neural networks and which concern convexity, numeric stability, training trajectory and parameter divergence. This allows us to clarify what can be expected theoretically from IF. We show that while most assumptions can be addressed successfully, the parameter divergence poses a clear limitation on the predictive power of IF: influence fades over training time even with deterministic training. We illustrate this theoretical result with BERT and ResNet models.
Another conclusion from the theoretical analysis is that IF are still useful for model debugging and correcting even though some of the assumptions made in prior work do not hold: using natural language processing and computer vision tasks, we verify that mis-predictions can be successfully corrected by taking only a few fine-tuning steps on influential examples.
Estimating the Rate-Distortion Function by Wasserstein Gradient Descent
Authors: Yibo Yang; Stephan Eckstein; Marcel Nutz; Stephan Mandt
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: In the theory of lossy compression, the rate-distortion (R-D) function $R(D)$ describes how much a data source can be compressed (in bit-rate) at any given level of fidelity (distortion). Obtaining $R(D)$ for a given data source establishes the fundamental performance limit for all compression algorithms.  We propose a new method to estimate $R(D)$ from the perspective of optimal transport. Unlike the classic Blahut--Arimoto algorithm which fixes the support of the reproduction distribution in advance, our Wasserstein gradient descent algorithm learns the support of the optimal reproduction distribution by moving particles. We prove its local convergence and analyze the sample complexity of our R-D estimator based on a connection to entropic optimal transport.  Experimentally, we obtain comparable or tighter bounds than state-of-the-art neural network methods on low-rate sources while requiring considerably less tuning and computation effort.  We also highlight a connection to maximum-likelihood deconvolution and introduce a new class of sources that can be used as test cases with known solutions to the R-D problem.
Monitor-Guided Decoding of Code LMs with Static Analysis of Repository Context
Authors: Lakshya Agrawal; Aditya Kanade; Navin Goyal; Shuvendu K Lahiri; Sriram Rajamani
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Language models of code (LMs) work well when the surrounding code provides sufficient context. This is not true when it becomes necessary to use types, functionality or APIs defined elsewhere in the repository or a linked library, especially those not seen during training. LMs suffer from limited awareness of such global context and end up hallucinating.

Integrated development environments (IDEs) assist developers in understanding repository context using static analysis.  We extend this assistance, enjoyed by developers, to LMs. We propose monitor-guided decoding (MGD) where a monitor uses static analysis to guide the decoding. We construct a repository-level dataset PragmaticCode for method-completion in Java and evaluate MGD on it. On models of varying parameter scale, by monitoring for type-consistent object dereferences, MGD consistently improves compilation rates and agreement with ground truth. Further, LMs with fewer parameters, when augmented with MGD, can outperform larger LMs. With MGD, SantaCoder-1.1B achieves better compilation rate and next-identifier match than the much larger text-davinci-003 model.

We also conduct a generalizability study to evaluate the ability of MGD to generalize to multiple programming languages (Java, C# and Rust), coding scenarios (e.g., correct number of arguments to method calls), and to enforce richer semantic constraints (e.g., stateful API protocols). Our data and implementation are available at https://github.com/microsoft/monitors4codegen.
TRIAGE: Characterizing and auditing training data for improved regression
Authors: Nabeel Seedat; Jonathan Crabbé; Zhaozhi Qian; Mihaela van der Schaar
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Data quality is crucial for robust machine learning algorithms, with the recent interest in data-centric AI emphasizing the importance of training data characterization. However, current data characterization methods are largely focused on classification settings, with regression settings largely understudied. To address this, we introduce TRIAGE, a novel data characterization framework tailored to regression tasks and compatible with a broad class of regressors. TRIAGE utilizes conformal predictive distributions to provide a model-agnostic scoring method, the TRIAGE score. We operationalize the score to analyze individual samples' training dynamics and characterize samples as under-, over-, or well-estimated by the model. We show that TRIAGE's characterization is consistent and highlight its utility to improve performance via data sculpting/filtering, in multiple regression settings. Additionally, beyond sample level, we show TRIAGE enables new approaches to dataset selection and feature acquisition. Overall, TRIAGE highlights the value unlocked by data characterization in real-world regression applications.
Generalization in the Face of Adaptivity: A Bayesian Perspective
Authors: Moshe Shenfeld; Katrina Ligett
Venue: NeurIPS 2023 (NeurIPS 2023 spotlight)

Abstract: Repeated use of a data sample via adaptively chosen queries can rapidly lead to overfitting, wherein the empirical evaluation of queries on the sample significantly deviates from their mean with respect to the underlying data distribution. It turns out that simple noise addition algorithms suffice to prevent this issue, and differential privacy-based analysis of these algorithms shows that they can handle an asymptotically optimal number of queries.  However, differential privacy's worst-case nature entails scaling such noise to the range of the queries even for highly-concentrated queries, or introducing more complex algorithms.

In this paper, we prove that straightforward noise-addition algorithms already provide variance-dependent guarantees that also extend to unbounded queries. This improvement stems from a novel characterization that illuminates the core problem of adaptive data analysis. We show that the harm of adaptivity results from the covariance between the new query and a Bayes factor-based measure of how much information about the data sample was encoded in the responses given to past queries. We then leverage this characterization to introduce a new data-dependent stability notion that can bound this covariance.
H-nobs: Achieving Certified Fairness and Robustness in Distributed Learning on Heterogeneous Datasets
Authors: Guanqiang Zhou; Ping Xu; Yue Wang; Zhi Tian
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Fairness and robustness are two important goals in the design of modern distributed learning systems. Despite a few prior works attempting to achieve both fairness and robustness, some key aspects of this direction remain underexplored. In this paper, we try to answer three largely unnoticed and unaddressed questions that are of paramount significance to this topic: (i) What makes jointly satisfying fairness and robustness difficult? (ii) Is it possible to establish theoretical guarantee for the dual property of fairness and robustness? (iii) How much does fairness have to sacrifice at the expense of robustness being incorporated into the system? To address these questions, we first identify data heterogeneity as the key difficulty of combining fairness and robustness. Accordingly, we propose a fair and robust framework called H-nobs which can offer certified fairness and robustness through the adoption of two key components, a fairness-promoting objective function and a simple robust aggregation scheme called norm-based screening (NBS). We explain in detail why NBS is the suitable scheme in our algorithm in contrast to other robust aggregation measures. In addition, we derive three convergence theorems for H-nobs in cases of the learning model being nonconvex, convex, and strongly convex respectively, which provide theoretical guarantees for both fairness and robustness. Further, we empirically investigate the influence of the robust mechanism (NBS) on the fairness performance of H-nobs, the very first attempt of such exploration.
ViCA-NeRF: View-Consistency-Aware 3D Editing of Neural Radiance Fields
Authors: Jiahua Dong; Yu-Xiong Wang
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: We introduce ViCA-NeRF, the *first* view-consistency-aware method for 3D editing with text instructions. In addition to the implicit neural radiance field (NeRF) modeling, our key insight is to exploit two sources of regularization that *explicitly* propagate the editing information across different views, thus ensuring multi-view consistency. For *geometric regularization*, we leverage the depth information derived from NeRF to establish image correspondences between different views. For *learned regularization*, we align the latent codes in the 2D diffusion model between edited and unedited images, enabling us to edit key views and propagate the update throughout the entire scene. Incorporating these two strategies, our ViCA-NeRF operates in two stages. In the initial stage, we blend edits from different views to create a preliminary 3D edit. This is followed by a second stage of NeRF training, dedicated to further refining the scene's appearance. Experimental results demonstrate that ViCA-NeRF provides more flexible, efficient (3 times faster) editing with higher levels of consistency and details, compared with the state of the art. Our code is available at: https://github.com/Dongjiahua/VICA-NeRF
Efficiently incorporating quintuple interactions into geometric deep learning force fields
Authors: Zun Wang; Guoqing Liu; Yichi Zhou; Tong Wang; Bin Shao
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Machine learning force fields (MLFFs) have instigated a groundbreaking shift in molecular dynamics (MD) simulations across a wide range of fields, such as physics, chemistry, biology, and materials science. Incorporating higher order many-body interactions can enhance the expressiveness and accuracy of models. Recent models have achieved this by explicitly including up to four-body interactions. However, five-body interactions, which have relevance in various fields, are still challenging to incorporate efficiently into MLFFs. In this work, we propose the quintuple network (QuinNet), an end-to-end graph neural network that efficiently expresses many-body interactions up to five-body interactions with \emph{ab initio} accuracy. By analyzing the topology of diverse many-body interactions, we design the model architecture to efficiently and explicitly represent these interactions. We evaluate QuinNet on public datasets of small molecules, such as MD17 and its revised version, and show that it is compatible with other state-of-the-art models on these benchmarks. Moreover, QuinNet surpasses many leading models on larger and more complex molecular systems, such as MD22 and Chignolin, without increasing the computational complexity. We also use QuinNet as a force field for molecular dynamics (MD) simulations to demonstrate its accuracy and stability, and conduct an ablation study to elucidate the significance of five-body interactions. We open source our implementation at https://github.com/Zun-Wang/QuinNet.
Would I have gotten that reward? Long-term credit assignment by counterfactual contribution analysis
Authors: Alexander Meulemans; Simon Schug; Seijin Kobayashi; Nathaniel Daw; Greg Wayne
Venue: NeurIPS 2023 (NeurIPS 2023 spotlight)

Abstract: To make reinforcement learning more sample efficient, we need better credit assignment methods that measure an action’s influence on future rewards. Building upon Hindsight Credit Assignment (HCA), we introduce Counterfactual Contribution Analysis (COCOA), a new family of model-based credit assignment algorithms. Our algorithms achieve precise credit assignment by measuring the contribution of actions upon obtaining subsequent rewards, by quantifying a counterfactual query: ‘Would the agent still have reached this reward if it had taken another action?’. We show that measuring contributions w.r.t. rewarding _states_, as is done in HCA, results in spurious estimates of contributions, causing HCA to degrade towards the high-variance REINFORCE estimator in many relevant environments. Instead, we measure contributions w.r.t. rewards or learned representations of the rewarding objects, resulting in gradient estimates with lower variance. We run experiments on a suite of problems specifically designed to evaluate long-term credit assignment capabilities. By using dynamic programming, we measure ground-truth policy gradients and show that the improved performance of our new model-based credit assignment methods is due to lower bias and variance compared to HCA and common baselines. Our results demonstrate how modeling action contributions towards rewarding outcomes can be leveraged for credit assignment, opening a new path towards sample-efficient reinforcement learning.
Causal de Finetti: On the Identification of Invariant Causal Structure in Exchangeable Data
Authors: Siyuan Guo; Viktor Tóth; Bernhard Schölkopf; Ferenc Huszár
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Constraint-based causal discovery methods leverage conditional independence tests to infer causal relationships in a wide variety of applications. Just as the majority of machine learning methods, existing work focuses on studying $\textit{independent and identically distributed}$ data. However, it is known that even with infinite $i.i.d.\$ data, constraint-based methods can only identify causal structures up to broad Markov equivalence classes, posing a fundamental limitation for causal discovery. In this work, we observe that exchangeable data contains richer conditional independence structure than $i.i.d.\$ data, and show how the richer structure can be leveraged for causal discovery. We first present causal de Finetti theorems, which state that exchangeable distributions with certain non-trivial conditional independences can always be represented as $\textit{independent causal mechanism (ICM)}$ generative processes. We then present our main identifiability theorem, which shows that given data from an ICM generative process, its unique causal structure can be identified through performing conditional independence tests. We finally develop a causal discovery algorithm and demonstrate its applicability to inferring causal relationships from multi-environment data.
Adversarial Self-Training Improves Robustness and Generalization for Gradual Domain Adaptation
Authors: Lianghe Shi; Weiwei Liu
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Gradual Domain Adaptation (GDA), in which the learner is provided with additional intermediate domains, has been theoretically and empirically studied in many contexts. Despite its vital role in security-critical scenarios, the adversarial robustness of the GDA model remains unexplored. In this paper, we adopt the effective gradual self-training method and replace vanilla self-training with adversarial self-training (AST). AST first predicts labels on the unlabeled data and then adversarially trains the model on the pseudo-labeled distribution. Intriguingly, we find that gradual AST improves not only adversarial accuracy but also clean accuracy on the target domain. We reveal that this is because adversarial training (AT) performs better than standard training when the pseudo-labels contain a portion of incorrect labels. Accordingly, we first present the generalization error bounds for gradual AST in a multiclass classification setting. We then use the optimal value of the Subset Sum Problem to bridge the standard error on a real distribution and the adversarial error on a pseudo-labeled distribution. The result indicates that AT may obtain a tighter bound than standard training on data with incorrect pseudo-labels. We further present an example of a conditional Gaussian distribution to provide more insights into why gradual AST can improve the clean accuracy for GDA.
Regularized Behavior Cloning for Blocking the Leakage of Past Action Information
Authors: Seokin Seo; HyeongJoo Hwang; Hongseok Yang; Kee-Eung Kim
Venue: NeurIPS 2023 (NeurIPS 2023 spotlight)

Abstract: For partially observable environments, imitation learning with observation histories (ILOH) assumes that control-relevant information is sufficiently captured in the observation histories for imitating the expert actions. In the offline setting wherethe agent is required to learn to imitate without interaction with the environment, behavior cloning (BC) has been shown to be a simple yet effective method for imitation learning. However, when the information about the actions executed in the past timesteps leaks into the observation histories, ILOH via BC often ends up imitating its own past actions. In this paper, we address this catastrophic failure by proposing a principled regularization for BC, which we name Past Action Leakage Regularization (PALR). The main idea behind our approach is to leverage the classical notion of conditional independence to mitigate the leakage. We compare different instances of our framework with natural choices of conditional independence metric and its estimator. The result of our comparison advocates the use of a particular kernel-based estimator for the conditional independence metric. We conduct an extensive set of experiments on benchmark datasets in order to assess the effectiveness of our regularization method. The experimental results show that our method significantly outperforms prior related approaches, highlighting its potential to successfully imitate expert actions when the past action information leaks into the observation histories.
On Masked Pre-training and the Marginal Likelihood
Authors: Pablo Moreno-Muñoz; Pol G. Recasens; Søren Hauberg
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Masked pre-training removes random input dimensions and learns a model that can predict the missing values. Empirical results indicate that this intuitive form of self-supervised learning yields models that generalize very well to new domains. A theoretical understanding is, however, lacking. This paper shows that masked pre-training with a suitable cumulative scoring function corresponds to maximizing the model's marginal likelihood, which is de facto the Bayesian model selection measure of generalization. Beyond shedding light on the success of masked pre-training, this insight also suggests that Bayesian models can be trained with appropriately designed self-supervision. Empirically, we confirm the developed theory and explore the main learning principles of masked pre-training in large language models.
Trajectory Alignment: Understanding the Edge of Stability Phenomenon via Bifurcation Theory
Authors: Minhak Song; Chulhee Yun
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Cohen et al. (2021) empirically study the evolution of the largest eigenvalue of the loss Hessian, also known as sharpness, along the gradient descent (GD) trajectory and observe the Edge of Stability (EoS) phenomenon. The sharpness increases at the early phase of training (referred to as progressive sharpening), and eventually saturates close to the threshold of $2 / \text{(step size)}$. In this paper, we start by demonstrating through empirical studies that when the EoS phenomenon occurs, different GD trajectories (after a proper reparameterization) align on a specific bifurcation diagram independent of initialization. We then rigorously prove this trajectory alignment phenomenon for a two-layer fully-connected linear network and a single-neuron nonlinear network trained with a single data point. Our trajectory alignment analysis establishes both progressive sharpening and EoS phenomena, encompassing and extending recent findings in the literature.
MomentDiff: Generative Video Moment Retrieval from Random to Real
Authors: Pandeng Li; Chen-Wei Xie; Hongtao Xie; Liming Zhao; Lei Zhang; Yun Zheng; Deli Zhao; Yongdong Zhang
Venue: NeurIPS 2023 (NeurIPS 2023 poster)

Abstract: Video moment retrieval pursues an efficient and generalized solution to identify the specific temporal segments within an untrimmed video that correspond to a given language description.
To achieve this goal, we provide a generative diffusion-based framework called MomentDiff, which simulates a typical human retrieval process from random browsing to gradual localization.
Specifically, we first diffuse the real span to random noise, and learn to denoise the random noise to the original span with the guidance of similarity between text and video.
This allows the model to learn a mapping from arbitrary random locations to real moments, enabling the ability to locate segments from random initialization.
Once trained, MomentDiff could sample random temporal segments as initial guesses and iteratively refine them to generate an accurate temporal boundary.
Different from discriminative works (e.g., based on learnable proposals or queries), MomentDiff with random initialized spans could resist the temporal location biases from datasets.
To evaluate the influence of the temporal location biases, we propose two ``anti-bias'' datasets with location distribution shifts, named Charades-STA-Len and Charades-STA-Mom.
The experimental results demonstrate that our efficient framework consistently outperforms state-of-the-art methods on three public benchmarks, and exhibits better generalization and robustness on the proposed anti-bias datasets. 
The code, model, and anti-bias evaluation datasets will be released publicly.