DeepNLP/ICML-2024-Accepted-Papers huggingface dataset:
Two Tales of Single-Phase Contrastive Hebbian Learning
Authors: Rasmus Høier, Christopher Zach

The search for "biologically plausible" learning algorithms has converged on the idea of representing gradients as activity differences. However, most approaches require a high degree of synchronization (distinct phases during learning) and introduce substantial computational overhead, which raises doubts regarding their biological plausibility as well as their potential utility for neuromorphic computing. Furthermore, they commonly rely on applying infinitesimal perturbations (nudges) to output units, which is impractical in noisy environments. Recently it has been shown that by modelling artificial neurons as dyads with two oppositely nudged compartments, it is possible for a fully local learning algorithm named “dual propagation” to bridge the performance gap to backpropagation, without requiring separate learning phases or infinitesimal nudging. However, the algorithm has the drawback that its numerical stability relies on symmetric nudging, which may be restrictive in biological and analog implementations. In this work we first provide a solid foundation for the objective underlying the dual propagation method, which also reveals a surpising connection with adversarial robustness. Second, we demonstrate how dual propagation is related to a particular adjoint state method, which is stable regardless of asymmetric nudging.
Verifying message-passing neural networks via topology-based bounds tightening
Authors: Christopher Hojny, Shiqiang Zhang, Juan S Campos, Ruth Misener

Since graph neural networks (GNNs) are often vulnerable to attack, we need to know when we can trust them. We develop a computationally effective approach towards providing robust certificates for message-passing neural networks (MPNNs) using a Rectified Linear Unit (ReLU) activation function. Because our work builds on mixed-integer optimization, it encodes a wide variety of subproblems, for example it admits (i) both adding and removing edges, (ii) both global and local budgets, and (iii) both topological perturbations and feature modifications. Our key technology, topology-based bounds tightening, uses graph structure to tighten bounds. We also experiment with aggressive bounds tightening to dynamically change the optimization constraints by tightening variable bounds. To demonstrate the effectiveness of these strategies, we implement an extension to the open-source branch-and-cut solver SCIP. We test on both node and graph classification problems and consider topological attacks that both add and remove edges.
$\bfΦ_\textrmFlow$: Differentiable Simulations for PyTorch, TensorFlow and Jax
Authors: Philipp Holl, Nils Thuerey

Differentiable processes have proven an invaluable tool for machine learning (ML) in scientific and engineering settings, but most ML libraries are not primarily designed for such applications. We present $\Phi_\textrm{Flow}$, a Python toolkit that seamlessly integrates with PyTorch, TensorFlow, Jax and NumPy, simplifying the process of writing differentiable simulation code at every step. $\Phi_\textrm{Flow}$ provides many essential features that go beyond the capabilities of the base libraries, such as differential operators, boundary conditions, the ability to write dimensionality-agnostic code, floating-point precision management, fully differentiable preconditioned (sparse) linear solves, automatic matrix generation via function tracing, integration of SciPy optimizers, simulation vectorization, and visualization tools. At the same time, $\Phi_\textrm{Flow}$ inherits all important traits of the base ML libraries, such as GPU / TPU support, just-in-time compilation, and automatic differentiation. Put together, these features drastically simplify scientific code like PDE or ODE solvers on grids or unstructured meshes, and $\Phi_\textrm{Flow}$ even includes out-of-the-box support for fluid simulations. $\Phi_\textrm{Flow}$ has been used in various publications and as a ground-truth solver in multiple scientific data sets.
Criterion Collapse and Loss Distribution Control
Authors: Matthew J. Holland

In this work, we consider the notion of "criterion collapse," in which optimization of one metric implies optimality in another, with a particular focus on conditions for collapse into error probability minimizers under a wide variety of learning criteria, ranging from DRO and OCE risks (CVaR, tilted ERM) to non-monotonic criteria underlying recent ascent-descent algorithms explored in the literature (Flooding, SoftAD). We show how collapse in the context of losses with a Bernoulli distribution goes far beyond existing results for CVaR and DRO, then expand our scope to include surrogate losses, showing conditions where monotonic criteria such as tilted ERM cannot avoid collapse, whereas non-monotonic alternatives can.
Removing Spurious Concepts from Neural Network Representations via Joint Subspace Estimation
Authors: Floris Holstege, Bram Wouters, Noud Van Giersbergen, Cees Diks

An important challenge in the field of interpretable machine learning is to ensure that deep neural networks (DNNs) use the correct or desirable input features in performing their tasks. Concept-removal methods aim to do this by eliminating concepts that are spuriously correlated with the main task from the neural network representation of the data. However, existing methods tend to be overzealous by inadvertently removing part of the correct or desirable features as well, leading to wrong interpretations and hurting model performance. We propose an iterative algorithm that separates spurious from main-task concepts by jointly estimating two low-dimensional orthogonal subspaces of the neural network representation. By evaluating the algorithm on benchmark datasets from computer vision (Waterbirds, CelebA) and natural language processing (MultiNLI), we show it outperforms existing concept-removal methods in terms of identifying the main-task and spurious concepts, and removing only the latter.
Decoding Compressed Trust: Scrutinizing the Trustworthiness of Efficient LLMs Under Compression
Authors: Junyuan Hong, Jinhao Duan, Chenhui Zhang, Zhangheng Li, Chulin Xie, Kelsey Lieberman, James Diffenderfer, Brian R. Bartoldson, Ajay Kumar Jaiswal, Kaidi Xu, Bhavya Kailkhura, Dan Hendrycks, Dawn Song, Zhangyang Wang, Bo Li

Compressing high-capability Large Language Models (LLMs) has emerged as a favored strategy for resource-efficient inferences. While state-of-the-art (SoTA) compression methods boast impressive advancements in preserving benign task performance, the potential risks of compression in terms of safety and trustworthiness have been largely neglected. This study conducts the first, thorough evaluation of three (3) leading LLMs using five (5) SoTA compression techniques across eight (8) trustworthiness dimensions. Our experiments highlight the intricate interplay between compression and trustworthiness, revealing some interesting patterns. We find that quantization is currently a more effective approach than pruning in achieving efficiency and trustworthiness simultaneously. For instance, a 4-bit quantized model retains the trustworthiness of its original counterpart, but model pruning significantly degrades trustworthiness, even at 50% sparsity. Moreover, employing quantization within a moderate bit range could unexpectedly improve certain trustworthiness dimensions such as ethics and fairness. Conversely, extreme quantization to very low bit levels (3 bits) tends to reduce trustworthiness significantly. This increased risk cannot be uncovered by looking at benign performance alone, in turn, mandating comprehensive trustworthiness evaluation in practice. These findings culminate in practical recommendations for simultaneously achieving high utility, efficiency, and trustworthiness in LLMs. Code and models are available at https://decoding-comp-trust.github.io.
Enhancing Sufficient Dimension Reduction via Hellinger Correlation
Authors: Seungbeom Hong, Ilmun Kim, Jun Song

In this work, we develop a new theory and method for sufficient dimension reduction (SDR) in single-index models, where SDR is a sub-field of supervised dimension reduction based on conditional independence. Our work is primarily motivated by the recent introduction of the Hellinger correlation as a dependency measure. Utilizing this measure, we have developed a method capable of effectively detecting the dimension reduction subspace, complete with theoretical justification. Through extensive numerical experiments, we demonstrate that our proposed method significantly enhances and outperforms existing SDR methods. This improvement is largely attributed to our proposed method’s deeper understanding of data dependencies and the refinement of existing SDR techniques.
Diversified Batch Selection for Training Acceleration
Authors: Feng Hong, Yueming Lyu, Jiangchao Yao, Ya Zhang, Ivor Tsang, Yanfeng Wang

The remarkable success of modern machine learning models on large datasets often demands extensive training time and resource consumption. To save cost, a prevalent research line, known as online batch selection, explores selecting informative subsets during the training process. Although recent efforts achieve advancements by measuring the impact of each sample on generalization, their reliance on additional reference models inherently limits their practical applications, when there are no such ideal models available. On the other hand, the vanilla reference-model-free methods involve independently scoring and selecting data in a sample-wise manner, which sacrifices the diversity and induces the redundancy. To tackle this dilemma, we propose Diversified Batch Selection (DivBS), which is reference-model-free and can efficiently select diverse and representative samples. Specifically, we define a novel selection objective that measures the group-wise orthogonalized representativeness to combat the redundancy issue of previous sample-wise criteria, and provide a principled selection-efficient realization. Extensive experiments across various tasks demonstrate the significant superiority of DivBS in the performance-speedup trade-off. The code is publicly available.
Model-based Reinforcement Learning for Confounded POMDPs
Authors: Mao Hong, Zhengling Qi, Yanxun Xu

We propose a model-based offline reinforcement learning (RL) algorithm for confounded partially observable Markov decision processes (POMDPs) under general function approximations and show it is provably efficient under some technical conditions such as the partial coverage imposed on the offline data distribution. Specifically, we first establish a novel model-based identification result for learning the effect of any action on the reward and future transitions in the confounded POMDP. Using this identification result, we then design a nonparametric two-stage estimation procedure to construct an estimator for off-policy evaluation (OPE), which permits general function approximations. Finally, we learn the optimal policy by performing a conservative policy optimization within the confidence regions based on the proposed estimation procedure for OPE. Under some mild conditions, we establish a finite-sample upper bound on the suboptimality of the learned policy in finding the optimal one, which depends on the sample size and the length of horizons polynomially.
A Primal-Dual Algorithm for Offline Constrained Reinforcement Learning with Linear MDPs
Authors: Kihyuk Hong, Ambuj Tewari

We study offline reinforcement learning (RL) with linear MDPs under the infinite-horizon discounted setting which aims to learn a policy that maximizes the expected discounted cumulative reward using a pre-collected dataset. Existing algorithms for this setting either require a uniform data coverage assumptions or are computationally inefficient for finding an $\epsilon$-optimal policy with $\mathcal{O}(\epsilon^{-2})$ sample complexity. In this paper, we propose a primal dual algorithm for offline RL with linear MDPs in the infinite-horizon discounted setting. Our algorithm is the first computationally efficient algorithm in this setting that achieves sample complexity of $\mathcal{O}(\epsilon^{-2})$ with partial data coverage assumption. Our work is an improvement upon a recent work that requires $\mathcal{O}(\epsilon^{-4})$ samples. Moreover, we extend our algorithm to work in the offline constrained RL setting that enforces constraints on additional reward signals.
Do Large Code Models Understand Programming Concepts? Counterfactual Analysis for Code Predicates
Authors: Ashish Hooda, Mihai Christodorescu, Miltiadis Allamanis, Aaron Wilson, Kassem Fawaz, Somesh Jha

Large Language Models’ success in text generation has also made them better at code generation and coding tasks. While a lot of work has demonstrated their remarkable performance on tasks such as code completion and editing, it is still unclear as to why. We help bridge this gap by exploring to what degree auto-regressive models understand the logical constructs of the underlying programs. We propose Counterfactual Analysis for Programming Concept Predicates (CACP) as a counterfactual testing framework to evaluate whether Large Code Models understand programming concepts. With only black-box access to the model, we use CACP to evaluate ten popular Large Code Models for four different programming concepts. Our findings suggest that current models lack understanding of concepts such as data flow and control flow.
Weisfeiler Leman for Euclidean Equivariant Machine Learning
Authors: Snir Hordan, Tal Amir, Nadav Dym

The $k$-Weisfeiler-Leman ($k$-WL) graph isomorphism test hierarchy is a common method for assessing the expressive power of graph neural networks (GNNs). Recently, GNNs whose expressive power is equivalent to the $2$-WL test were proven to be universal on weighted graphs which encode $3\mathrm{D}$ point cloud data, yet this result is limited to invariant continuous functions on point clouds. In this paper, we extend this result in three ways: Firstly, we show that PPGN can simulate $2$-WL uniformly on all point clouds with low complexity. Secondly, we show that $2$-WL tests can be extended to point clouds which include both positions and velocities, a scenario often encountered in applications. Finally, we provide a general framework for proving equivariant universality and leverage it to prove that a simple modification of this invariant PPGN architecture can be used to obtain a universal equivariant architecture that can approximate all continuous equivariant functions uniformly. Building on our results, we develop our WeLNet architecture, which sets new state-of-the-art results on the N-Body dynamics task and the GEOM-QM9 molecular conformation generation task.
Graph Neural PDE Solvers with Conservation and Similarity-Equivariance
Authors: Masanobu Horie, Naoto Mitsume

Utilizing machine learning to address partial differential equations (PDEs) presents significant challenges due to the diversity of spatial domains and their corresponding state configurations, which complicates the task of encompassing all potential scenarios through data-driven methodologies alone. Moreover, there are legitimate concerns regarding the generalization and reliability of such approaches, as they often overlook inherent physical constraints. In response to these challenges, this study introduces a novel machine-learning architecture that is highly generalizable and adheres to conservation laws and physical symmetries, thereby ensuring greater reliability. The foundation of this architecture is graph neural networks (GNNs), which are adept at accommodating a variety of shapes and forms. Additionally, we explore the parallels between GNNs and traditional numerical solvers, facilitating a seamless integration of conservative principles and symmetries into machine learning models. Our findings from experiments demonstrate that the model’s inclusion of physical laws significantly enhances its generalizability, i.e., no significant accuracy degradation for unseen spatial domains while other models degrade. The code is available at https://github.com/yellowshippo/fluxgnn-icml2024.
Harmony in Diversity: Merging Neural Networks with Canonical Correlation Analysis
Authors: Stefan Horoi, Albert Manuel Orozco Camacho, Eugene Belilovsky, Guy Wolf

Combining the predictions of multiple trained models through ensembling is generally a good way to improve accuracy by leveraging the different learned features of the models, however it comes with high computational and storage costs. Model fusion, the act of merging multiple models into one by combining their parameters reduces these costs but doesn’t work as well in practice. Indeed, neural network loss landscapes are high-dimensional and non-convex and the minima found through learning are typically separated by high loss barriers. Numerous recent works have been focused on finding permutations matching one network features to the features of a second one, lowering the loss barrier on the linear path between them in parameter space. However, permutations are restrictive since they assume a one-to-one mapping between the different models’ neurons exists. We propose a new model merging algorithm, CCA Merge, which is based on Canonical Correlation Analysis and aims to maximize the correlations between linear combinations of the model features. We show that our alignment method leads to better performances than past methods when averaging models trained on the same, or differing data splits. We also extend this analysis into the harder setting where more than 2 models are merged, and we find that CCA Merge works significantly better than past methods. Our code is publicly available at https://github.com/shoroi/align-n-merge
Classification Under Strategic Self-Selection
Authors: Guy Horowitz, Yonatan Sommer, Moran Koren, Nir Rosenfeld

When users stand to gain from certain predictive outcomes, they are prone to act strategically to obtain predictions that are favorable. Most current works consider strategic behavior that manifests as users modifying their features; instead, we study a novel setting in which users decide whether to even participate (or not), this in response to the learned classifier. Considering learning approaches of increasing strategic awareness, we investigate the effects of user self-selection on learning, and the implications of learning on the composition of the self-selected population. Building on this, we propose a differentiable framework for learning under self-selective behavior, which can be optimized effectively. We conclude with experiments on real data and simulated behavior that complement our analysis and demonstrate the utility of our approach.
Maestro: Uncovering Low-Rank Structures via Trainable Decomposition
Authors: Samuel Horváth, Stefanos Laskaridis, Shashank Rajput, Hongyi Wang

Deep Neural Networks (DNNs) have been a large driver for AI breakthroughs in recent years, ranging from self-driving cars to intelligent assistants. However, these models have been getting increasingly large as they become more accurate and safe. This means that their training becomes increasingly costly and time-consuming, and typically yields a single model to fit all targets. To mitigate this, various techniques have been proposed in the literature, including pruning, sparsification or quantization of the model weights and updates. While achieving high compression rates, they often incur significant computational overheads at training or lead to non-negligible accuracy penalty. Alternatively, factorization methods have been leveraged for low-rank compression of DNNs. Similarly, such techniques (e.g., SVD) frequently rely on heavy iterative decompositions of layers and are potentially sub-optimal for non-linear models, such as DNNs. We take a further step in designing efficient low-rank models and propose Maestro, a framework for trainable low-rank layers. Instead of iteratively applying a priori decompositions, the low-rank structure is baked into the training process through LoD, a low-rank ordered decomposition. Not only is this the first time importance ordering via sampling is applied on the decomposed DNN structure, but it also allows selecting ranks at a layer granularity. Our theoretical analysis demonstrates that LoD recovers the SVD decomposition of linear mapping on uniformly distributed data and PCA for linear autoencoders. Applied to DNNs, Maestro enables the extraction of lower footprint models that preserve performance. Simultaneously, it enables the graceful tradeoff between accuracy-latency for deployment to even more constrained devices, without retraining.
Recovering the Pre-Fine-Tuning Weights of Generative Models
Authors: Eliahu Horwitz, Jonathan Kahana, Yedid Hoshen

The dominant paradigm in generative modeling consists of two steps: i) pre-training on a large-scale but unsafe dataset, ii) aligning the pre-trained model with human values via fine-tuning. This practice is considered safe, as no current method can recover the unsafe, pre-fine-tuning model weights. In this paper, we demonstrate that this assumption is often false. Concretely, we present Spectral DeTuning, a method that can recover the weights of the pre-fine-tuning model using a few low-rank (LoRA) fine-tuned models. In contrast to previous attacks that attempt to recover pre-fine-tuning capabilities, our method aims to recover the exact pre-fine-tuning weights. Our approach exploits this new vulnerability against large-scale models such as a personalized Stable Diffusion and an aligned Mistral. The code is available at https://vision.huji.ac.il/spectral_detuning/.
Equilibrium of Data Markets with Externality
Authors: Safwan Hossain, Yiling Chen

We model real-world data markets, where sellers post fixed prices and buyers are free to purchase from any set of sellers, as a simultaneous game. A key component here is the negative externality buyers induce on one another due to data purchases. Starting with a simple setting where buyers know their valuations a priori, we characterize both the existence and welfare properties of the pure Nash equilibrium in the presence of such externality. While the outcomes are bleak without any intervention, mirroring the limitations of current data markets, we prove that for a standard class of externality functions, platforms intervening through a transaction cost can lead to a pure equilibrium with strong welfare guarantees. We next consider a more realistic setting where buyers learn their valuations over time through market interactions. Our intervention is feasible here as well, and we consider learning algorithms to achieve low regret concerning both individual and cumulative utility metrics. Lastly, we analyze the promises of this intervention under a much richer externality model.
A Persuasive Approach to Combating Misinformation
Authors: Safwan Hossain, Andjela Mladenovic, Yiling Chen, Gauthier Gidel

Bayesian Persuasion is proposed as a tool for social media platforms to combat the spread of misinformation. Since platforms can use machine learning to predict the popularity and misinformation features of to-be-shared posts, and users are largely motivated to share popular content, platforms can strategically signal this informational advantage to change user beliefs and persuade them not to share misinformation. We characterize the optimal signaling scheme with imperfect predictions as a linear program and give sufficient and necessary conditions on the classifier to ensure optimal platform utility is non-decreasing and continuous. Next, this interaction is considered under a performative model, wherein platform intervention affects the user’s future behaviour. The convergence and stability of optimal signaling under this performative process are fully characterized. Lastly, we experimentally validate that our approach significantly reduces misinformation in both the single round and performative setting.