DeepNLP/ICML-2024-Accepted-Papers huggingface dataset:
Federated Self-Explaining GNNs with Anti-shortcut Augmentations
Authors: Linan Yue, Qi Liu, Weibo Gao, Ye Liu, Kai Zhang, Yichao Du, Li Wang, Fangzhou Yao

Graph Neural Networks (GNNs) have demonstrated remarkable performance in graph classification tasks. However, ensuring the explainability of their predictions remains a challenge. To address this, graph rationalization methods have been introduced to generate concise subsets of the original graph, known as rationales, which serve to explain the predictions made by GNNs. Existing rationalizations often rely on shortcuts in data for prediction and rationale composition. In response, de-shortcut rationalization methods have been proposed, which commonly leverage counterfactual augmentation to enhance data diversity for mitigating the shortcut problem. Nevertheless, these methods have predominantly focused on centralized datasets and have not been extensively explored in the Federated Learning (FL) scenarios. To this end, in this paper, we propose a Federated Graph Rationalization (FedGR) with anti-shortcut augmentations to achieve self-explaining GNNs, which involves two data augmenters. These augmenters are employed to produce client-specific shortcut conflicted samples at each client, which contributes to mitigating the shortcut problem under the FL scenarios. Experiments on real-world benchmarks and synthetic datasets validate the effectiveness of FedGR under the FL scenarios.
How to Leverage Diverse Demonstrations in Offline Imitation Learning
Authors: Sheng Yue, Jiani Liu, Xingyuan Hua, Ju Ren, Sen Lin, Junshan Zhang, Yaoxue Zhang

Offline Imitation Learning (IL) with imperfect demonstrations has garnered increasing attention owing to the scarcity of expert data in many real-world domains. A fundamental problem in this scenario is how to extract positive behaviors from noisy data. In general, current approaches to the problem select data building on state-action similarity to given expert demonstrations, neglecting precious information in (potentially abundant) diverse state-actions that deviate from expert ones. In this paper, we introduce a simple yet effective data selection method that identifies positive behaviors based on their resultant states - a more informative criterion enabling explicit utilization of dynamics information and effective extraction of both expert and beneficial diverse behaviors. Further, we devise a lightweight behavior cloning algorithm capable of leveraging the expert and selected data correctly. In the experiments, we evaluate our method on a suite of complex and high-dimensional offline IL benchmarks, including continuous-control and vision-based tasks. The results demonstrate that our method achieves state-of-the-art performance, outperforming existing methods on 20/21 benchmarks, typically by 2-5x, while maintaining a comparable runtime to Behavior Cloning (BC).
Image Restoration Through Generalized Ornstein-Uhlenbeck Bridge
Authors: Conghan Yue, Zhengwei Peng, Junlong Ma, Shiyan Du, Pengxu Wei, Dongyu Zhang

Diffusion models exhibit powerful generative capabilities enabling noise mapping to data via reverse stochastic differential equations. However, in image restoration, the focus is on the mapping relationship from low-quality to high-quality images. Regarding this issue, we introduce the Generalized Ornstein-Uhlenbeck Bridge (GOUB) model. By leveraging the natural mean-reverting property of the generalized OU process and further eliminating the variance of its steady-state distribution through the Doob’s h–transform, we achieve diffusion mappings from point to point enabling the recovery of high-quality images from low-quality ones. Moreover, we unravel the fundamental mathematical essence shared by various bridge models, all of which are special instances of GOUB and empirically demonstrate the optimality of our proposed models. Additionally, we present the corresponding Mean-ODE model adept at capturing both pixel-level details and structural perceptions. Experimental outcomes showcase the state-of-the-art performance achieved by both models across diverse tasks, including inpainting, deraining, and super-resolution. Code is available at https://github.com/Hammour-steak/GOUB.
Manifold Integrated Gradients: Riemannian Geometry for Feature Attribution
Authors: Eslam Zaher, Maciej Trzaskowski, Quan Nguyen, Fred Roosta

In this paper, we dive into the reliability concerns of Integrated Gradients (IG), a prevalent feature attribution method for black-box deep learning models. We particularly address two predominant challenges associated with IG: the generation of noisy feature visualizations for vision models and the vulnerability to adversarial attributional attacks. Our approach involves an adaptation of path-based feature attribution, aligning the path of attribution more closely to the intrinsic geometry of the data manifold. Our experiments utilise deep generative models applied to several real-world image datasets. They demonstrate that IG along the geodesics conforms to the curved geometry of the Riemannian data manifold, generating more perceptually intuitive explanations and, subsequently, substantially increasing robustness to targeted attributional attacks.
Sample as you Infer: Predictive Coding with Langevin Dynamics
Authors: Umais Zahid, Qinghai Guo, Zafeirios Fountas

We present Langevin Predictive Coding (LPC), a novel algorithm for deep generative model learning that builds upon the predictive coding framework of computational neuroscience. By injecting Gaussian noise into the predictive coding inference procedure and incorporating an encoder network initialization, we reframe the approach as an amortized Langevin sampling method for optimizing a tight variational lower bound. To increase robustness to sampling step size, we present a lightweight preconditioning technique inspired by Riemannian Langevin methods and adaptive SGD. We compare LPC against VAEs by training generative models on benchmark datasets; our experiments demonstrate superior sample quality and faster convergence for LPC in a fraction of SGD training iterations, while matching or exceeding VAE performance across key metrics like FID, diversity and coverage.
More Flexible PAC-Bayesian Meta-Learning by Learning Learning Algorithms
Authors: Hossein Zakerinia, Amin Behjati, Christoph H. Lampert

We introduce a new framework for studying meta-learning methods using PAC-Bayesian theory. Its main advantage over previous work is that it allows for more flexibility in how the transfer of knowledge between tasks is realized. For previous approaches, this could only happen indirectly, by means of learning prior distributions over models. In contrast, the new generalization bounds that we prove express the process of meta-learning much more directly as learning the learning algorithm that should be used for future tasks. The flexibility of our framework makes it suitable to analyze a wide range of meta-learning mechanisms and even design new mechanisms. Other than our theoretical contributions we also show empirically that our framework improves the prediction quality in practical meta-learning mechanisms.
How to Explore with Belief: State Entropy Maximization in POMDPs
Authors: Riccardo Zamboni, Duilio Cirino, Marcello Restelli, Mirco Mutti

Recent works have studied state entropy maximization in reinforcement learning, in which the agent’s objective is to learn a policy inducing high entropy over states visitation (Hazan et al., 2019). They typically assume full observability of the state of the system, so that the entropy of the observations is maximized. In practice, the agent may only get partial observations, e.g., a robot perceiving the state of a physical space through proximity sensors and cameras. A significant mismatch between the entropy over observations and true states of the system can arise in those settings. In this paper, we address the problem of entropy maximization over the true states with a decision policy conditioned on partial observations only. The latter is a generalization of POMDPs, which is intractable in general. We develop a memory and computationally efficient policy gradient method to address a first-order relaxation of the objective defined on belief states, providing various formal characterizations of approximation gaps, the optimization landscape, and the hallucination problem. This paper aims to generalize state entropy maximization to more realistic domains that meet the challenges of applications.
See More Details: Efficient Image Super-Resolution by Experts Mining
Authors: Eduard Zamfir, Zongwei Wu, Nancy Mehta, Yulun Zhang, Radu Timofte

Reconstructing high-resolution (HR) images from low-resolution (LR) inputs poses a significant challenge in image super-resolution (SR). While recent approaches have demonstrated the efficacy of intricate operations customized for various objectives, the straightforward stacking of these disparate operations can result in a substantial computational burden, hampering their practical utility. In response, we introduce SeemoRe, an efficient SR model employing expert mining. Our approach strategically incorporates experts at different levels, adopting a collaborative methodology. At the macro scale, our experts address rank-wise and spatial-wise informative features, providing a holistic understanding. Subsequently, the model delves into the subtleties of rank choice by leveraging a mixture of low-rank experts. By tapping into experts specialized in distinct key factors crucial for accurate SR, our model excels in uncovering intricate intra-feature details. This collaborative approach is reminiscent of the concept of “see more", allowing our model to achieve an optimal performance with minimal computational costs in efficient settings.
DiffAug: Enhance Unsupervised Contrastive Learning with Domain-Knowledge-Free Diffusion-based Data Augmentation
Authors: Zelin Zang, Hao Luo, Kai Wang, Panpan Zhang, Fan Wang, Stan Z. Li, Yang You

Unsupervised Contrastive learning has gained prominence in fields such as vision, and biology, leveraging predefined positive/negative samples for representation learning. Data augmentation, categorized into hand-designed and model-based methods, has been identified as a crucial component for enhancing contrastive learning. However, hand-designed methods require human expertise in domain-specific data while sometimes distorting the meaning of the data. In contrast, generative model-based approaches usually require supervised or large-scale external data, which has become a bottleneck constraining model training in many domains. To address the problems presented above, this paper proposes DiffAug, a novel unsupervised contrastive learning technique with diffusion mode-based positive data generation. DiffAug consists of a semantic encoder and a conditional diffusion model; the conditional diffusion model generates new positive samples conditioned on the semantic encoding to serve the training of unsupervised contrast learning. With the help of iterative training of the semantic encoder and diffusion model, DiffAug improves the representation ability in an uninterrupted and unsupervised manner. Experimental evaluations show that DiffAug outperforms hand-designed and SOTA model-based augmentation methods on DNA sequence, visual, and bio-feature datasets. The code for review is released at DiffAug CODE.
Robustly Learning Single-Index Models via Alignment Sharpness
Authors: Nikos Zarifis, Puqian Wang, Ilias Diakonikolas, Jelena Diakonikolas

We study the problem of learning Single-Index Models under the $L_2^2$ loss in the agnostic model. We give an efficient learning algorithm, achieving a constant factor approximation to the optimal loss, that succeeds under a range of distributions (including log-concave distributions) and a broad class of monotone and Lipschitz link functions. This is the first efficient constant factor approximate agnostic learner, even for Gaussian data and for any nontrivial class of link functions. Prior work for the case of unknown link function either works in the realizable setting or does not attain constant factor approximation. The main technical ingredient enabling our algorithm and analysis is a novel notion of a local error bound in optimization that we term alignment sharpness and that may be of broader interest.
Low-Cost High-Power Membership Inference Attacks
Authors: Sajjad Zarifzadeh, Philippe Liu, Reza Shokri

Membership inference attacks aim to detect if a particular data point was used in training a model. We design a novel statistical test to perform robust membership inference attacks (RMIA) with low computational overhead. We achieve this by a fine-grained modeling of the null hypothesis in our likelihood ratio tests, and effectively leveraging both reference models and reference population data samples. RMIA has superior test power compared with prior methods, throughout the TPR-FPR curve (even at extremely low FPR, as low as 0). Under computational constraints, where only a limited number of pre-trained reference models (as few as 1) are available, and also when we vary other elements of the attack (e.g., data distribution), our method performs exceptionally well, unlike prior attacks that approach random guessing. RMIA lays the groundwork for practical yet accurate data privacy risk assessment in machine learning.
Theoretical Analysis of Learned Database Operations under Distribution Shift through Distribution Learnability
Authors: Sepanta Zeighami, Cyrus Shahabi

Use of machine learning to perform database operations, such as indexing, cardinality estimation, and sorting, is shown to provide substantial performance benefits. However, when datasets change and data distribution shifts, empirical results also show performance degradation for learned models, possibly to worse than non-learned alternatives. This, together with a lack of theoretical understanding of learned methods undermines their practical applicability, since there are no guarantees on how well the models will perform after deployment. In this paper, we present the first known theoretical characterization of the performance of learned models in dynamic datasets, for the aforementioned operations. Our results show novel theoretical characteristics achievable by learned models and provide bounds on the performance of the models that characterize their advantages over non-learned methods, showing why and when learned models can outperform the alternatives. Our analysis develops the distribution learnability framework and novel theoretical tools which build the foundation for the analysis of learned database operations in the future.
Continuous Treatment Effects with Surrogate Outcomes
Authors: Zhenghao Zeng, David Arbour, Avi Feller, Raghavendra Addanki, Ryan A. Rossi, Ritwik Sinha, Edward Kennedy

In many real-world causal inference applications, the primary outcomes (labels) are often partially missing, especially if they are expensive or difficult to collect. If the missingness depends on covariates (i.e., missingness is not completely at random), analyses based on fully observed samples alone may be biased. Incorporating surrogates, which are fully observed post-treatment variables related to the primary outcome, can improve estimation in this case. In this paper, we study the role of surrogates in estimating continuous treatment effects and propose a doubly robust method to efficiently incorporate surrogates in the analysis, which uses both labeled and unlabeled data and does not suffer from the above selection bias problem. Importantly, we establish the asymptotic normality of the proposed estimator and show possible improvements on the variance compared with methods that solely use labeled data. Extensive simulations show our methods enjoy appealing empirical performance.
tnGPS: Discovering Unknown Tensor Network Structure Search Algorithms via Large Language Models (LLMs)
Authors: Junhua Zeng, Chao Li, Zhun Sun, Qibin Zhao, Guoxu Zhou

Tensor networks are efficient for extremely high-dimensional representation, but their model selection, known as tensor network structure search (TN-SS), is a challenging problem. Although several works have targeted TN-SS, most existing algorithms are manually crafted heuristics with poor performance, suffering from the curse of dimensionality and local convergence. In this work, we jump out of the box, studying how to harness large language models (LLMs) to automatically discover new TN-SS algorithms, replacing the involvement of human experts. By observing how human experts innovate in research, we model their common workflow and propose an automatic algorithm discovery framework called tnGPS. The proposed framework is an elaborate prompting pipeline that instruct LLMs to generate new TN-SS algorithms through iterative refinement and enhancement. The experimental results demonstrate that the algorithms discovered by tnGPS exhibit superior performance in benchmarks compared to the current state-of-the-art methods. Our code is available at https://github.com/ChaoLiAtRIKEN/tngps.
Token-level Direct Preference Optimization
Authors: Yongcheng Zeng, Guoqing Liu, Weiyu Ma, Ning Yang, Haifeng Zhang, Jun Wang

Fine-tuning pre-trained Large Language Models (LLMs) is essential to align them with human values and intentions. This process often utilizes methods like pairwise comparisons and KL divergence against a reference LLM, focusing on the evaluation of full answers generated by the models. However, the generation of these responses occurs in a token level, following a sequential, auto-regressive fashion. In this paper, we introduce Token-level Direct Preference Optimization (TDPO), a novel approach to align LLMs with human preferences by optimizing policy at the token level. Unlike previous methods, which face challenges in divergence efficiency, TDPO integrates forward KL divergence constraints for each token, improving alignment and diversity. Utilizing the Bradley-Terry model for a token-based reward system, our method enhances the regulation of KL divergence, while preserving simplicity without the need for explicit reward modeling. Experimental results across various text tasks demonstrate TDPO’s superior performance in balancing alignment with generation diversity. Notably, fine-tuning with TDPO strikes a better balance than DPO in the controlled sentiment generation and single-turn dialogue datasets, and significantly improves the quality of generated responses compared to both DPO and PPO-based RLHF methods.
Learning Reward for Robot Skills Using Large Language Models via Self-Alignment
Authors: Yuwei Zeng, Yao Mu, Lin Shao

Learning reward functions remains the bottleneck to equip a robot with a broad repertoire of skills. Large Language Models (LLM) contain valuable task-related knowledge that can potentially aid in the learning of reward functions. However, the proposed reward function can be imprecise, thus ineffective which requires to be further grounded with environment information. We proposed a method to learn rewards more efficiently in the absence of humans. Our approach consists of two components: We first use the LLM to propose features and parameterization of the reward, then update the parameters through an iterative self-alignment process. In particular, the process minimizes the ranking inconsistency between the LLM and the learnt reward functions based on the execution feedback. The method was validated on 9 tasks across 2 simulation environments. It demonstrates a consistent improvement in training efficacy and efficiency, meanwhile consuming significantly fewer GPT tokens compared to the alternative mutation-based method.
Graph Mixup on Approximate Gromov–Wasserstein Geodesics
Authors: Zhichen Zeng, Ruizhong Qiu, Zhe Xu, Zhining Liu, Yuchen Yan, Tianxin Wei, Lei Ying, Jingrui He, Hanghang Tong

Mixup, which generates synthetic training samples on the data manifold, has been shown to be highly effective in augmenting Euclidean data. However, finding a proper data manifold for graph data is non-trivial, as graphs are non-Euclidean data in disparate spaces. Though efforts have been made, most of the existing graph mixup methods neglect the intrinsic geodesic guarantee, thereby generating inconsistent sample-label pairs. To address this issue, we propose GeoMix to mixup graphs on the Gromov-Wasserstein (GW) geodesics. A joint space over input graphs is first defined based on the GW distance, and graphs are then transformed into the GW space through equivalence-preserving transformations. We further show that the linear interpolation of the transformed graph pairs defines a geodesic connecting the original pairs on the GW manifold, hence ensuring the consistency between generated samples and labels. An accelerated mixup algorithm on the approximate low-dimensional GW manifold is further proposed. Extensive experiments show that the proposed GeoMix promotes the generalization and robustness of GNN models.
Interacting Diffusion Processes for Event Sequence Forecasting
Authors: Mai Zeng, Florence Regol, Mark Coates

Neural Temporal Point Processes (TPPs) have emerged as the primary framework for predicting sequences of events that occur at irregular time intervals, but their sequential nature can hamper performance for long-horizon forecasts. To address this, we introduce a novel approach that incorporates a diffusion generative model. The model facilitates sequence-to-sequence prediction, allowing multi-step predictions based on historical event sequences. In contrast to previous approaches, our model directly learns the joint probability distribution of types and inter-arrival times for multiple events. The model is composed of two diffusion processes, one for the time intervals and one for the event types. These processes interact through their respective denoising functions, which can take as input intermediate representations from both processes, allowing the model to learn complex interactions. We demonstrate that our proposal outperforms state-of-the-art baselines for long-horizon forecasting of TPPs.
IM-Unpack: Training and Inference with Arbitrarily Low Precision Integers
Authors: Zhanpeng Zeng, Karthikeyan Sankaralingam, Vikas Singh

GEneral Matrix Multiply (GEMM) is a central operation in deep learning and corresponds to a large chunk of the compute footprint. Therefore, improving its efficiency is an active topic of research. A popular strategy is the use of low bit-width integers to approximate the original matrix entries. This allows efficiency gains, but often requires sophisticated techniques to control the rounding error. In this work, we first verify that when the low bit-width restriction is removed, for a variety of Transformer-based models, integers are, in fact, sufficient for all GEMMs need – for both training and inference stages, and achieve parity (with floating point). No sophisticated techniques are needed. We find that while a large majority of entries in matrices (encountered in such models) can be easily represented by low bit-width integers, the existence of a few heavy hitter entries make it difficult to achieve efficiency gains via the exclusive use of low bit-width GEMMs alone. To address this issue, we develop a simple algorithm, Integer Matrix Unpacking (IM-Unpack), to unpack a matrix with large integer entries into a larger matrix whose entries all lie within the representable range of arbitrarily low bit-width integers. This allows equivalence with the original GEMM, i.e., the exact result can be obtained using purely low bit-width integer GEMMs. This comes at the cost of additional operations – we show that for many popular models, this overhead is quite small. Code is available at https://github.com/vsingh-group/im-unpack.