OpenRaiser/Intern-Atlas huggingface dataset:
Graph Neural PDE Solvers with Conservation and Similarity-Equivariance
Venue: Conference ICML 2024
Year: 2024

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
Venue: Conference ICML 2024
Year: 2024

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
Venue: Conference ICML 2024
Year: 2024

When users stand to gain from certain predictions, they are prone to act strategically to obtain favorable predictive outcomes. Whereas most works on strategic classification consider user actions that manifest as feature modifications, we study a novel setting in which users decide -- in response to the learned classifier -- whether to at all participate (or not). For learning approaches of increasing strategic awareness, we study the effects of self-selection on learning, and the implications of learning on the composition of the self-selected population. We then 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 both complement our analysis and demonstrate the utility of our approach.
Maestro: Uncovering Low-Rank Structures via Trainable Decomposition
Venue: Conference ICML 2024
Year: 2024

Deep Neural Networks (DNNs) have been a large driver for AI breakthroughs in recent years. 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. Various techniques have been proposed in the literature to mitigate this, including pruning, sparsification, or quantization of 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 in special cases LoD recovers the SVD decomposition and PCA. Applied to DNNs, Maestro enables the extraction of lower footprint models that preserve performance. Simultaneously, it enables the graceful trade-off between accuracy-latency for deployment to even more constrained devices without retraining.
Recovering the Pre-Fine-Tuning Weights of Generative Models
Venue: Conference ICML 2024
Year: 2024

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.
Multi-Sender Persuasion: A Computational Perspective
Venue: Conference ICML 2024
Year: 2024

We consider the multi-sender persuasion problem: multiple players with informational advantage signal to convince a single self-interested actor to take certain actions. This problem generalizes the seminal Bayesian Persuasion framework and is ubiquitous in computational economics, multi-agent learning, and multi-objective machine learning. The core solution concept here is the Nash equilibrium of senders' signaling policies. Theoretically, we prove that finding an equilibrium in general is PPAD-Hard; in fact, even computing a sender's best response is NP-Hard. Given these intrinsic difficulties, we turn to finding local Nash equilibria. We propose a novel differentiable neural network to approximate this game's non-linear and discontinuous utilities. Complementing this with the extra-gradient algorithm, we discover local equilibria that Pareto dominates full-revelation equilibria and those found by existing neural networks. Broadly, our theoretical and empirical contributions are of interest to a large class of economic problems.
Equilibrium of Data Markets with Externality
Venue: Conference ICML 2024
Year: 2024

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
Venue: Conference ICML 2024
Year: 2024

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 and discuss the broader scope of using information design to combat misinformation.
Efficient Mixture Learning in Black-Box Variational Inference
Venue: Conference ICML 2024
Year: 2024

Mixture variational distributions in black box variational inference (BBVI) have demonstrated impressive results in challenging density estimation tasks. However, currently scaling the number of mixture components can lead to a linear increase in the number of learnable parameters and a quadratic increase in inference time due to the evaluation of the evidence lower bound (ELBO). Our two key contributions address these limitations. First, we introduce the novel Multiple Importance Sampling Variational Autoencoder (MISVAE), which amortizes the mapping from input to mixture-parameter space using one-hot encodings. Fortunately, with MISVAE, each additional mixture component incurs a negligible increase in network parameters. Second, we construct two new estimators of the ELBO for mixtures in BBVI, enabling a tremendous reduction in inference time with marginal or even improved impact on performance. Collectively, our contributions enable scalability to hundreds of mixture components and provide superior estimation performance in shorter time, with fewer network parameters compared to previous Mixture VAEs. Experimenting with MISVAE, we achieve astonishing, SOTA results on MNIST. Furthermore, we empirically validate our estimators in other BBVI settings, including Bayesian phylogenetic inference, where we improve inference times for the SOTA mixture model on eight data sets.
IBD-PSC: Input-level Backdoor Detection via Parameter-oriented Scaling Consistency
Venue: Conference ICML 2024
Year: 2024

Deep neural networks (DNNs) are vulnerable to backdoor attacks, where adversaries can maliciously trigger model misclassifications by implanting a hidden backdoor during model training. This paper proposes a simple yet effective input-level backdoor detection (dubbed IBD-PSC) as a `firewall' to filter out malicious testing images. Our method is motivated by an intriguing phenomenon, i.e., parameter-oriented scaling consistency (PSC), where the prediction confidences of poisoned samples are significantly more consistent than those of benign ones when amplifying model parameters. In particular, we provide theoretical analysis to safeguard the foundations of the PSC phenomenon. We also design an adaptive method to select BN layers to scale up for effective detection. Extensive experiments are conducted on benchmark datasets, verifying the effectiveness and efficiency of our IBD-PSC method and its resistance to adaptive attacks. Codes are available at \href{https://github.com/THUYimingLi/BackdoorBox}{BackdoorBox}.
Decomposing Uncertainty for Large Language Models through Input Clarification Ensembling
Venue: Conference ICML 2024
Year: 2024

Uncertainty decomposition refers to the task of decomposing the total uncertainty of a predictive model into aleatoric (data) uncertainty, resulting from inherent randomness in the data-generating process, and epistemic (model) uncertainty, resulting from missing information in the model's training data. In large language models (LLMs) specifically, identifying sources of uncertainty is an important step toward improving reliability, trustworthiness, and interpretability, but remains an important open research question. In this paper, we introduce an uncertainty decomposition framework for LLMs, called input clarification ensembling, which can be applied to any pre-trained LLM. Our approach generates a set of clarifications for the input, feeds them into an LLM, and ensembles the corresponding predictions. We show that, when aleatoric uncertainty arises from ambiguity or under-specification in LLM inputs, this approach makes it possible to factor an (unclarified) LLM's predictions into separate aleatoric and epistemic terms, using a decomposition similar to the one employed by Bayesian neural networks. Empirical evaluations demonstrate that input clarification ensembling provides accurate and reliable uncertainty quantification on several language processing tasks. Code and data are available at https://github.com/UCSB-NLP-Chang/llm_uncertainty.
PrE-Text: Training Language Models on Private Federated Data in the Age of LLMs
Venue: Conference ICML 2024
Year: 2024

On-device training is currently the most common approach for training machine learning (ML) models on private, distributed user data. Despite this, on-device training has several drawbacks: (1) most user devices are too small to train large models on-device, (2) on-device training is communication- and computation-intensive, and (3) on-device training can be difficult to debug and deploy. To address these problems, we propose Private Evolution-Text (PrE-Text), a method for generating differentially private (DP) synthetic textual data. First, we show that across multiple datasets, training small models (models that fit on user devices) with PrE-Text synthetic data outperforms small models trained on-device under practical privacy regimes ($ε=1.29$, $ε=7.58$). We achieve these results while using 9$\times$ fewer rounds, 6$\times$ less client computation per round, and 100$\times$ less communication per round. Second, finetuning large models on PrE-Text's DP synthetic data improves large language model (LLM) performance on private data across the same range of privacy budgets. Altogether, these results suggest that training on DP synthetic data can be a better option than training a model on-device on private distributed data. Code is available at https://github.com/houcharlie/PrE-Text.
Loss Shaping Constraints for Long-Term Time Series Forecasting
Venue: Conference ICML 2024
Year: 2024

Several applications in time series forecasting require predicting multiple steps ahead. Despite the vast amount of literature in the topic, both classical and recent deep learning based approaches have mostly focused on minimising performance averaged over the predicted window. We observe that this can lead to disparate distributions of errors across forecasting steps, especially for recent transformer architectures trained on popular forecasting benchmarks. That is, optimising performance on average can lead to undesirably large errors at specific time-steps. In this work, we present a Constrained Learning approach for long-term time series forecasting that aims to find the best model in terms of average performance that respects a user-defined upper bound on the loss at each time-step. We call our approach loss shaping constraints because it imposes constraints on the loss at each time step, and leverage recent duality results to show that despite its non-convexity, the resulting problem has a bounded duality gap. We propose a practical Primal-Dual algorithm to tackle it, and demonstrate that the proposed approach exhibits competitive average performance in time series forecasting benchmarks, while shaping the distribution of errors across the predicted window.
Tripod: Three Complementary Inductive Biases for Disentangled Representation Learning
Venue: Conference ICML 2024
Year: 2024

Inductive biases are crucial in disentangled representation learning for narrowing down an underspecified solution set. In this work, we consider endowing a neural network autoencoder with three select inductive biases from the literature: data compression into a grid-like latent space via quantization, collective independence amongst latents, and minimal functional influence of any latent on how other latents determine data generation. In principle, these inductive biases are deeply complementary: they most directly specify properties of the latent space, encoder, and decoder, respectively. In practice, however, naively combining existing techniques instantiating these inductive biases fails to yield significant benefits. To address this, we propose adaptations to the three techniques that simplify the learning problem, equip key regularization terms with stabilizing invariances, and quash degenerate incentives. The resulting model, Tripod, achieves state-of-the-art results on a suite of four image disentanglement benchmarks. We also verify that Tripod significantly improves upon its naive incarnation and that all three of its "legs" are necessary for best performance.
Improving Interpretation Faithfulness for Vision Transformers
Venue: Conference ICML 2024
Year: 2024

Vision Transformers (ViTs) have achieved state-of-the-art performance for various vision tasks. One reason behind the success lies in their ability to provide plausible innate explanations for the behavior of neural architectures. However, ViTs suffer from issues with explanation faithfulness, as their focal points are fragile to adversarial attacks and can be easily changed with even slight perturbations on the input image. In this paper, we propose a rigorous approach to mitigate these issues by introducing Faithful ViTs (FViTs). Briefly speaking, an FViT should have the following two properties: (1) The top-$k$ indices of its self-attention vector should remain mostly unchanged under input perturbation, indicating stable explanations; (2) The prediction distribution should be robust to perturbations. To achieve this, we propose a new method called Denoised Diffusion Smoothing (DDS), which adopts randomized smoothing and diffusion-based denoising. We theoretically prove that processing ViTs directly with DDS can turn them into FViTs. We also show that Gaussian noise is nearly optimal for both $\ell_2$ and $\ell_\infty$-norm cases. Finally, we demonstrate the effectiveness of our approach through comprehensive experiments and evaluations. Results show that FViTs are more robust against adversarial attacks while maintaining the explainability of attention, indicating higher faithfulness.
Outlier-Efficient Hopfield Layers for Large Transformer-Based Models
Venue: Conference ICML 2024
Year: 2024

We introduce an Outlier-Efficient Modern Hopfield Model (termed $\mathrm{OutEffHop}$) and use it to address the outlier inefficiency problem of {training} gigantic transformer-based models. Our main contribution is a novel associative memory model facilitating \textit{outlier-efficient} associative memory retrievals. Interestingly, this memory model manifests a model-based interpretation of an outlier-efficient attention mechanism (${\rm Softmax}_1$): it is an approximation of the memory retrieval process of $\mathrm{OutEffHop}$. Methodologically, this allows us to introduce novel outlier-efficient Hopfield layers as powerful alternatives to traditional attention mechanisms, with superior post-quantization performance. Theoretically, the Outlier-Efficient Modern Hopfield Model retains and improves the desirable properties of standard modern Hopfield models, including fixed point convergence and exponential storage capacity. Empirically, we demonstrate the efficacy of the proposed model across large-scale transformer-based and Hopfield-based models (including BERT, OPT, ViT, and STanHop-Net), benchmarking against state-of-the-art methods like $\mathtt{Clipped\_Softmax}$ and $\mathtt{Gated\_Attention}$. Notably, $\mathrm{OutEffHop}$ achieves an average reduction of 22+\% in average kurtosis and 26+\% in the maximum infinity norm of model outputs across four models. Code is available at \href{https://github.com/MAGICS-LAB/OutEffHop}{GitHub}; models are on \href{https://huggingface.co/collections/magicslabnu/outeffhop-6610fcede8d2cda23009a98f}{Hugging Face Hub}; future updates are on \href{https://arxiv.org/abs/2404.03828}{arXiv}.
HarmoDT: Harmony Multi-Task Decision Transformer for Offline Reinforcement Learning
Venue: Conference ICML 2024
Year: 2024

The purpose of offline multi-task reinforcement learning (MTRL) is to develop a unified policy applicable to diverse tasks without the need for online environmental interaction. Recent advancements approach this through sequence modeling, leveraging the Transformer architecture's scalability and the benefits of parameter sharing to exploit task similarities. However, variations in task content and complexity pose significant challenges in policy formulation, necessitating judicious parameter sharing and management of conflicting gradients for optimal policy performance. In this work, we introduce the Harmony Multi-Task Decision Transformer (HarmoDT), a novel solution designed to identify an optimal harmony subspace of parameters for each task. We approach this as a bi-level optimization problem, employing a meta-learning framework that leverages gradient-based techniques. The upper level of this framework is dedicated to learning a task-specific mask that delineates the harmony subspace, while the inner level focuses on updating parameters to enhance the overall performance of the unified policy. Empirical evaluations on a series of benchmarks demonstrate the superiority of HarmoDT, verifying the effectiveness of our approach.