GenAI4ELab/papercli-papers huggingface dataset:
Robust Learning-Augmented Dictionaries
Authors: Ali Zeynali; Shahin Kamali; Mohammad Hajiesmaili
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We present the first learning-augmented data structure for implementing dictionaries with optimal consistency and robustness. Our data structure, named RobustSL, is a Skip list augmented by predictions of access frequencies of elements in a data sequence. With proper predictions, RobustSL has optimal consistency (achieves static optimality). At the same time, it maintains a logarithmic running time for each operation, ensuring optimal robustness, even if predictions are generated adversarially. Therefore, RobustSL has all the advantages of the recent learning-augmented data structures of Lin, Luo, and Woodruff (ICML 2022) and Cao et al. (arXiv 2023), while providing robustness guarantees that are absent in the previous work. Numerical experiments show that RobustSL outperforms alternative data structures using both synthetic and real datasets.
All-in-one simulation-based inference
Authors: Manuel Gloeckler; Michael Deistler; Christian Dietrich Weilbach; Frank Wood; Jakob H. Macke
Venue: ICML 2024 (ICML 2024 Oral)

Abstract: Amortized Bayesian inference trains neural networks to solve stochastic inference problems using model simulations, thereby making it possible to rapidly perform Bayesian inference for any newly observed data. However, current simulation-based amortized inference methods are simulation-hungry and inflexible: They require the specification of a fixed parametric prior, simulator, and inference tasks ahead of time. Here, we present a new amortized inference method---the Simformer---which overcomes these limitations. By training a probabilistic diffusion model with transformer architectures, the Simformer outperforms current state-of-the-art amortized inference approaches on benchmark tasks and is substantially more flexible: It can be applied to models with function-valued parameters, it can handle inference scenarios with missing or unstructured data, and it can sample arbitrary conditionals of the joint distribution of parameters and data, including both posterior and likelihood. We showcase the performance and flexibility of the Simformer on simulators from ecology, epidemiology, and neuroscience, and demonstrate that it opens up new possibilities and application domains for amortized Bayesian inference on simulation-based models.
Coarse-To-Fine Tensor Trains for Compact Visual Representations
Authors: Sebastian Bugge Loeschcke; Dan Wang; Christian Munklinde Leth-Espensen; Serge Belongie; Michael Kastoryano; Sagie Benaim
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: The ability to learn compact, high-quality, and easy-to-optimize representations for visual data is paramount to many applications such as novel view synthesis and 3D reconstruction. Recent work has shown substantial success in using tensor networks to design such compact and high-quality representations. However, the ability to optimize tensor-based representations, and in particular, the highly compact tensor train representation, is still lacking. This has prevented practitioners from deploying the full potential of tensor networks for visual data. To this end, we propose 'Prolongation Upsampling Tensor Train (PuTT)', a novel method for learning tensor train representations in a coarse-to-fine manner. Our method involves the prolonging or `upsampling' of a learned tensor train representation, creating a sequence of 'coarse-to-fine' tensor trains that are incrementally refined. We evaluate our representation along three axes: (1). compression, (2). denoising capability, and (3). image completion capability. To assess these axes, we consider the tasks of image fitting, 3D fitting, and novel view synthesis, where our method shows an improved performance compared to state-of-the-art tensor-based methods.
Improved Generalization of Weight Space Networks via Augmentations
Authors: Aviv Shamsian; Aviv Navon; David W. Zhang; Yan Zhang; Ethan Fetaya; Gal Chechik; Haggai Maron
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Learning in deep weight spaces (DWS), where neural networks process the weights of other neural networks, is an emerging research direction, with applications to 2D and 3D neural fields (INRs, NeRFs), as well as making inferences about other types of neural networks. Unfortunately, weight space models tend to suffer from substantial overfitting. We empirically analyze the reasons for this overfitting and find that a key reason is the lack of diversity in DWS datasets. While a given object can be represented by many different weight configurations, typical INR training sets fail to capture variability across INRs that represent the same object. To address this, we explore strategies for data augmentation in weight spaces and propose a MixUp method adapted for weight spaces. We demonstrate the effectiveness of these methods in two setups. In classification, they improve performance similarly to having up to 10 times more data. In self-supervised contrastive learning, they yield substantial 5-10% gains in downstream classification.
Scalable Safe Policy Improvement for Factored Multi-Agent MDPs
Authors: Federico Bianchi; Edoardo Zorzi; Alberto Castellini; Thiago D. Simão; Matthijs T. J. Spaan; Alessandro Farinelli
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: In this work, we focus on safe policy improvement in multi-agent domains where current state-of-the-art methods cannot be effectively applied because of large state and action spaces. We consider recent results using Monte Carlo Tree Search for Safe Policy Improvement with Baseline Bootstrapping and propose a novel algorithm that scales this approach to multi-agent domains, exploiting the factorization of the transition model and value function. Given a centralized behavior policy and a dataset of trajectories, our algorithm generates an improved policy by selecting joint actions using a novel extension of Max-Plus (or Variable Elimination) that constrains local actions to guarantee safety criteria. An empirical evaluation on multi-agent SysAdmin and multi-UAV Delivery shows that the approach scales to very large domains where state-of-the-art methods cannot work.
Position: Intent-aligned AI Systems Must Optimize for Agency Preservation
Authors: Catalin Mitelut; Benjamin Smith; Peter Vamplew
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: A central approach to AI-safety research has been to generate aligned AI systems: i.e. systems that do not deceive users and yield actions or recommendations that humans might judge as consistent with their intentions and goals. Here we argue that truthful AIs aligned solely to human intent are insufficient and that preservation of long-term agency of humans may be a more robust standard that may need to be separated and explicitly optimized for. We discuss the science of intent and control and how human intent can be manipulated and we provide a formal definition of agency-preserving AI-human interactions focusing on forward-looking explicit agency evaluations. Our work points to a novel pathway for human harm in AI-human interactions and proposes solutions to this challenge.
tnGPS: Discovering Unknown Tensor Network Structure Search Algorithms via Large Language Models (LLMs)
Authors: Junhua Zeng; Chao Li; Zhun Sun; Qibin Zhao; Guoxu Zhou
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: 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.
Feature Attribution with Necessity and Sufficiency via Dual-stage Perturbation Test for Causal Explanation
Authors: Xuexin Chen; Ruichu Cai; ZhengTingHuang; Yuxuan Zhu; Julien Horwood; Zhifeng Hao; Zijian Li; José Miguel Hernández-Lobato
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We investigate the problem of explainability for machine learning models, focusing on Feature Attribution Methods (FAMs) that evaluate feature importance through perturbation tests. Despite their utility, FAMs struggle to distinguish the contributions of different features, when their prediction changes are similar after perturbation. To enhance FAMs' discriminative power, we introduce Feature Attribution with Necessity and Sufficiency (FANS), which find a neighborhood of the input such that perturbing samples within this neighborhood have a high Probability of being Necessity and Sufficiency (PNS) cause for the change in predictions, and use this PNS as the importance of the feature. Specifically, FANS compute this PNS via a heuristic strategy for estimating the neighborhood and a perturbation test involving two stages (factual and interventional) for counterfactual reasoning. To generate counterfactual samples, we use a resampling-based approach on the observed samples to approximate the required conditional distribution. We demonstrate that FANS outperforms existing attribution methods on six benchmarks. Please refer to the source code via https://github.com/DMIRLAB-Group/FANS.
Analysis for Abductive Learning and Neural-Symbolic Reasoning Shortcuts
Authors: Xiao-Wen Yang; Wen-Da Wei; Jie-Jing Shao; Yu-Feng Li; Zhi-Hua Zhou
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Abductive learning models (ABL) and neural-symbolic predictive models (NeSy) have been recently shown effective, as they allow us to infer labels that are consistent with some prior knowledge by reasoning over high-level concepts extracted from sub-symbolic inputs. However, their generalization ability is affected by reasoning shortcuts: high accuracy on given targets but leveraging intermediate concepts with unintended semantics. Although there have been techniques to alleviate reasoning shortcuts, theoretical efforts on this issue remain to be limited. This paper proposes a simple and effective analysis to quantify harm caused by it and how can mitigate it. We quantify three main factors in how NeSy algorithms are affected by reasoning shortcuts: the complexity of the knowledge base, the sample size, and the hypothesis space. In addition, we demonstrate that ABL can reduce shortcut risk by selecting specific distance functions in consistency optimization, thereby demonstrating its potential and approach to solving shortcut problems. Empirical studies demonstrate the rationality of the analysis. Moreover, the proposal is suitable for many ABL and NeSy algorithms and can be easily extended to handle other cases of reasoning shortcuts.
Learning in Deep Factor Graphs with Gaussian Belief Propagation
Authors: Seth Nabarro; Mark van der Wilk; Andrew Davison
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: We propose an approach to do learning in Gaussian factor graphs. We treat all relevant quantities (inputs, outputs, parameters, activations) as random variables in a graphical model, and view training and prediction as inference problems with different observed nodes. Our experiments show that these problems can be efficiently solved with belief propagation (BP), whose updates are inherently local, presenting exciting opportunities for distributed and asynchronous training. Our approach can be scaled to deep networks and provides a natural means to do continual learning: use the BP-estimated posterior of the current task as a prior for the next. On a video denoising task we demonstrate the benefit of learnable parameters over a classical factor graph approach and we show encouraging performance of deep factor graphs for continual image classification.
Keypoint-based Progressive Chain-of-Thought Distillation for LLMs
Authors: Kaituo Feng; Changsheng Li; Xiaolu Zhang; JUN ZHOU; Ye Yuan; Guoren Wang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Chain-of-thought distillation is a powerful technique for transferring reasoning abilities from large language models (LLMs) to smaller student models. Previous methods typically require the student to mimic the step-by-step rationale produced by LLMs, often facing the following challenges: (i) Tokens within a rationale vary in significance, and treating them equally may fail to accurately mimic keypoint tokens, leading to reasoning errors. (ii) They usually distill knowledge by consistently predicting all the steps in a rationale, which falls short in distinguishing the learning order of step generation. This diverges from the human cognitive progression of starting with easy tasks and advancing to harder ones, resulting in sub-optimal outcomes. To this end, we propose a unified framework, called KPOD, to address these issues. Specifically, we propose a token weighting module utilizing mask learning to encourage accurate mimicry of keypoint tokens by the student during distillation. Besides, we develop an in-rationale progressive distillation strategy, starting with training the student to generate the final reasoning steps and gradually extending to cover the entire rationale. To accomplish this, a weighted token generation loss is proposed to assess step reasoning difficulty, and a value function is devised to schedule the progressive distillation by considering both step difficulty and question diversity. Extensive experiments on four reasoning benchmarks illustrate our KPOD outperforms previous methods by a large margin.
Attention Meets Post-hoc Interpretability: A Mathematical Perspective
Authors: Gianluigi Lopardo; Frederic Precioso; Damien Garreau
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Attention-based architectures, in particular transformers, are at the heart of a technological revolution. Interestingly, in addition to helping obtain state-of-the-art results on a wide range of applications, the attention mechanism intrinsically provides meaningful insights on the internal behavior of the model. Can these insights be used as explanations? Debate rages on. In this paper, we mathematically study a simple attention-based architecture and pinpoint the differences between post-hoc and attention-based explanations. We show that they provide quite different results, and that, despite their limitations, post-hoc methods are capable of capturing more useful insights than merely examining the attention weights.
MGit: A Model Versioning and Management System
Authors: Wei Hao; Daniel Mendoza; Rafael Mendes; Deepak Narayanan; Amar Phanishayee; Asaf Cidon; Junfeng Yang
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: New ML models are often derived from existing ones (e.g., through fine-tuning, quantization or distillation), forming an ecosystem where models are *related* to each other and can share structure or even parameter values. Managing such a large and evolving ecosystem of model derivatives is challenging. For instance, the overhead of storing all such models is high, and models may inherit bugs from related models, complicating error attribution and debugging. In this paper, we propose a model versioning and management system called MGit that makes it easier to store, test, update, and collaborate on related models. MGit introduces a lineage graph that records the relationships between models, optimizations to efficiently store model parameters, and abstractions over this lineage graph that facilitate model testing, updating and collaboration. We find that MGit works well in practice: MGit is able to reduce model storage footprint by up to 7$\times$. Additionally, in a user study with 20 ML practitioners, users complete a model updating task 3$\times$ faster on average with MGit.
Collapse-Aware Triplet Decoupling for Adversarially Robust Image Retrieval
Authors: Qiwei Tian; Chenhao Lin; Zhengyu Zhao; Qian Li; Chao Shen
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Adversarial training has achieved substantial performance in defending image retrieval against adversarial examples. However, existing studies in deep metric learning (DML) still suffer from two major limitations: *weak adversary* and *model collapse*. In this paper, we address these two limitations by proposing **C**ollapse-**A**ware **TRI**plet **DE**coupling (**CA-TRIDE**). Specifically, TRIDE yields a stronger adversary by spatially decoupling the perturbation targets into the anchor and the other candidates. Furthermore, CA prevents the consequential model collapse, based on a novel metric, collapseness, which is incorporated into the optimization of perturbation. We also identify two drawbacks of the existing robustness metric in image retrieval and propose a new metric for a more reasonable robustness evaluation. Extensive experiments on three datasets demonstrate that CA-TRIDE outperforms existing defense methods in both conventional and new metrics. *Codes are available at https://github.com/michaeltian108/CA-TRIDE.*
Theoretical Guarantees for Variational Inference with Fixed-Variance Mixture of Gaussians
Authors: Tom Huix; Anna Korba; Alain Oliviero Durmus; Eric Moulines
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Variational inference (VI) is a popular approach in Bayesian inference, that looks for the best approximation of the posterior distribution within a parametric family, minimizing a loss that is (typically) the reverse Kullback-Leibler (KL) divergence. Despite its empirical success, the theoretical properties of VI have only recently received attention, and is restricted to the Gaussian case. This research paper aims to contribute to the theoretical study of VI in the non-Gaussian case by investigating the setting of Mixture of Gaussians with fixed covariance. In this view, VI over this specific family can be casted as the minimization of a Mollified relative entropy, i.e. the KL between the convolution (with respect to a Gaussian kernel) of an atomic measure supported on Diracs, where the support of the atomic measure correspond to the localization of the Gaussian components, and the target distribution. Hence, solving variational inference is equivalent to optimizing the positions of the Diracs (the particles), which can be done through gradient descent and takes the form of an interacting particle system. We study two sources of error in variational inference in this context. The first is an optimization result that is a descent lemma establishing that the algorithm decreases the objective at each iteration. The second is an approximation error that upper bounds the mollified relative entropy between an optimal finite mixture and the target distribution.
Theoretical insights for diffusion guidance: A case study for Gaussian mixture models
Authors: Yuchen Wu; Minshuo Chen; Zihao Li; Mengdi Wang; Yuting Wei
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: Diffusion models benefit from instillation of task-specific information into the score function to steer the sample generation towards desired properties. Such information is coined as guidance. For example, in text-to-image synthesis, text input is encoded as guidance to generate semantically aligned images. Proper guidance inputs are closely tied with the performance of diffusion models. A common observation is that strong guidance promotes a tight alignment to the task-specific information, while reduces the diversity of the generated samples. In this paper, we provide the first theoretical study towards the influence of guidance on diffusion models in the context of Gaussian mixture models. Under mild conditions, we prove that incorporating diffusion guidance not only boosts prediction confidence but also diminishes distribution diversity, leading to a reduction in the differential entropy of the output distribution. Our analysis covers the widely used DDPM and DDIM sampling schemes, and leverages comparison inequalities in differential equations as well as the Fokker-Planck equation that characterizes the evolution of probability density function, which may be of independent theoretical interest.
Stochastic Optimization with Arbitrary Recurrent Data Sampling
Authors: William Powell; Hanbaek Lyu
Venue: ICML 2024 (ICML 2024 Poster)

Abstract: For obtaining optimal first-order convergence guarantees for stochastic optimization, it is necessary to use a recurrent data sampling algorithm that samples every data point with sufficient frequency. Most commonly used data sampling algorithms (e.g., i.i.d., MCMC, random reshuffling) are indeed recurrent under mild assumptions. In this work, we show that for a particular class of stochastic optimization algorithms, we do not need any further property (e.g., independence, exponential mixing, and reshuffling) beyond recurrence in data sampling to guarantee optimal rate of first-order convergence. Namely, using regularized versions of Minimization by Incremental Surrogate Optimization (MISO), we show that for non-convex and possibly non-smooth objective functions with constraints, the expected optimality gap converges at an optimal rate $O(n^{-1/2})$ under general recurrent sampling schemes. Furthermore, the implied constant depends explicitly on the 'speed of recurrence', measured by the expected amount of time to visit a data point, either averaged ('target time') or supremized ('hitting time') over the starting locations. We discuss applications of our general framework to decentralized optimization and distributed non-negative matrix factorization.
Fine-tuning Reinforcement Learning Models is Secretly a Forgetting Mitigation Problem
Authors: Maciej Wolczyk; Bartłomiej Cupiał; Mateusz Ostaszewski; Michał Bortkiewicz; Michał Zając; Razvan Pascanu; Łukasz Kuciński; Piotr Miłoś
Venue: ICML 2024 (ICML 2024 Spotlight)

Abstract: Fine-tuning is a widespread technique that allows practitioners to transfer pre-trained capabilities, as recently showcased by the successful applications of foundation models. However, fine-tuning reinforcement learning (RL) models remains a challenge. This work conceptualizes one specific cause of poor transfer, accentuated in the RL setting by the interplay between actions and observations: *forgetting of pre-trained capabilities*. Namely, a model deteriorates on the state subspace of the downstream task not visited in the initial phase of fine-tuning, on which the model behaved well due to pre-training. This way, we lose the anticipated transfer benefits. We identify conditions when this problem occurs, showing that it is common and, in many cases, catastrophic. Through a detailed empirical analysis of the challenging NetHack and Montezuma's Revenge environments, we show that standard knowledge retention techniques mitigate the problem and thus allow us to take full advantage of the pre-trained capabilities. In particular, in NetHack, we achieve a new state-of-the-art for neural models, improving the previous best score from $5$K to over $10$K points in the Human Monk scenario.