ICML 2024 论文列表

Many recent works use machine learning models to solve various complex algorithmic problems. However, these models attempt to reach a solution without considering the problem's required computational complexity, which can be detrimental to their ability to solve it correctly. In this work we investigate the effect of computational time and memory on generalization of implicit algorithmic solvers. To do so, we focus on the Differentiable Neural Computer (DNC), a general problem solver that also lets us reason directly about its usage of time and memory. In this work, we argue that the number of planning steps the model is allowed to take, which we call ”planning budget”, is a constraint that can cause the model to generalize poorly and hurt its ability to fully utilize its external memory. We evaluate our method on Graph Shortest Path, Convex Hull, Graph MinCut and Associative Recall, and show how the planning budget can drastically change the behavior of the learned algorithm, in terms of learned time complexity, training time, stability and generalization to inputs larger than those seen during training.

Graph-based methods, pivotal for label inference over interconnected objects in many real-world applications, often encounter generalization challenges, if the graph used for model training differs significantly from the graph used for testing. This work delves into Graph Domain Adaptation (GDA) to address the unique complexities of distribution shifts over graph data, where interconnected data points experience shifts in features, labels, and in particular, connecting patterns. We propose a novel, theoretically principled method, Pairwise Alignment (Pair-Align) to counter graph structure shift by mitigating conditional structure shift (CSS) and label shift (LS). Pair-Align uses edge weights to recalibrate the influence among neighboring nodes to handle CSS and adjusts the classification loss with label weights to handle LS. Our method demonstrates superior performance in real-world applications, including node classification with region shift in social networks, and the pileup mitigation task in particle colliding experiments. For the first application, we also curate the largest dataset by far for GDA studies. Our method shows strong performance in synthetic and other existing benchmark datasets.

People grasp flexible visual concepts from a few examples. We explore a neurosymbolic system that learns how to infer programs that capture visual concepts in a domain-general fashion. We introduce Template Programs: programmatic expressions from a domain-specific language that specify structural and parametric patterns common to an input concept. Our framework supports multiple concept-related tasks, including few-shot generation and co-segmentation through parsing. We develop a learning paradigm that allows us to train networks that infer Template Programs directly from visual datasets that contain concept groupings. We run experiments across multiple visual domains: 2D layouts, Omniglot characters, and 3D shapes. We find that our method outperforms task-specific alternatives, and performs competitively against domain-specific approaches for the limited domains where they exist.

Modern machine learning applications have witnessed the remarkable success of optimization algorithms that are designed to find flat minima. Motivated by this design choice, we undertake a formal study that (i) formulates the notion of flat minima, and (ii) studies the complexity of finding them. Specifically, we adopt the trace of the Hessian of the cost function as a measure of flatness, and use it to formally define the notion of approximate flat minima. Under this notion, we then analyze algorithms that find approximate flat minima efficiently. For general cost functions, we discuss a gradient-based algorithm that finds an approximate flat local minimum efficiently. The main component of the algorithm is to use gradients computed from randomly perturbed iterates to estimate a direction that leads to flatter minima. For the setting where the cost function is an empirical risk over training data, we present a faster algorithm that is inspired by a recently proposed practical algorithm called sharpness-aware minimization, supporting its success in practice.

Diffusion models are a remarkably effective way of learning and sampling from a distribution $p(x)$. In posterior sampling, one is also given a measurement model $p(y \mid x)$ and a measurement $y$, and would like to sample from $p(x \mid y)$. Posterior sampling is useful for tasks such as inpainting, super-resolution, and MRI reconstruction, so a number of recent works have given algorithms to heuristically approximate it; but none are known to converge to the correct distribution in polynomial time. In this paper we show that posterior sampling is *computationally intractable*: under the most basic assumption in cryptography---that one-way functions exist---there are instances for which *every* algorithm takes superpolynomial time, even though *unconditional* sampling is provably fast. We also show that the exponential-time rejection sampling algorithm is essentially optimal under the stronger plausible assumption that there are one-way functions that take exponential time to invert.

The past few years have seen an intense research interest in the practical needs of the "right to be forgotten", which has motivated researchers to develop machine unlearning methods to unlearn a fraction of training data and its lineage. While existing machine unlearning methods prioritize the protection of individuals' private data, they overlook investigating the unlearned models' susceptibility to adversarial attacks and security breaches. In this work, we uncover a novel security vulnerability of machine unlearning based on the insight that adversarial vulnerabilities can be bolstered, especially for adversarially robust models. To exploit this observed vulnerability, we propose a novel attack called Adversarial Unlearning Attack (AdvUA), which aims to generate a small fraction of malicious unlearning requests during the unlearning process. AdvUA causes a significant reduction of adversarial robustness in the unlearned model compared to the original model, providing an entirely new capability for adversaries that is infeasible in conventional machine learning pipelines. Notably, we also show that AdvUA can effectively enhance model stealing attacks by extracting additional decision boundary information, further emphasizing the breadth and significance of our research. We also conduct both theoretical analysis and computational complexity of AdvUA. Extensive numerical studies are performed to demonstrate the effectiveness and efficiency of the proposed attack.

We show that offline actor-critic reinforcement learning can scale to large models - such as transformers - and follows similar scaling laws as supervised learning. We find that offline actor-critic algorithms can outperform strong, supervised, behavioral cloning baselines for multi-task training on a large dataset; containing both sub-optimal and expert behavior on 132 continuous control tasks. We introduce a Perceiver-based actor-critic model and elucidate the key features needed to make offline RL work with self- and cross-attention modules. Overall, we find that: i) simple offline actor critic algorithms are a natural choice for gradually moving away from the currently predominant paradigm of behavioral cloning, and ii) via offline RL it is possible to learn multi-task policies that master many domains simultaneously, including real robotics tasks, from sub-optimal demonstrations or self-generated data.

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.

As a more challenging domain adaptation setting, universal domain adaptation (UniDA) introduces category shift on top of domain shift, which needs to identify unknown category in the target domain and avoid misclassifying target samples into source private categories. To this end, we propose a novel UniDA approach named Batch Singular value Polarization and Weighted Semantic Augmentation (BSP-WSA). Specifically, we adopt an adversarial classifier to identify the target unknown category and align feature distributions between the two domains. Then, we propose to perform SVD on the classifier's outputs to maximize larger singular values while minimizing those smaller ones, which could prevent target samples from being wrongly assigned to source private classes. To better bridge the domain gap, we propose a weighted semantic augmentation approach for UniDA to generate data on common categories between the two domains. Extensive experiments on three benchmarks demonstrate that BSP-WSA could outperform existing state-of-the-art UniDA approaches.

This paper considers ''model diagnosis'', which we formulate as a classification problem. Given a pre-trained neural network (NN), the goal is to predict the source of failure from a set of failure modes (such as a wrong hyperparameter, inadequate model size, and insufficient data) without knowing the training configuration of the pre-trained NN. The conventional diagnosis approach uses training and validation errors to determine whether the model is underfitting or overfitting. However, we show that rich information about NN performance is encoded in the optimization loss landscape, which provides more actionable insights than validation-based measurements. Therefore, we propose a diagnosis method called MD tree based on loss landscape metrics and experimentally demonstrate its advantage over classical validation-based approaches. We verify the effectiveness of MD tree in multiple practical scenarios: (1) use several models trained on one dataset to diagnose a model trained on another dataset, essentially a few-shot dataset transfer problem; (2) use small models (or models trained with small data) to diagnose big models (or models trained with big data), essentially a scale transfer problem. In a dataset transfer task, MD tree achieves an accuracy of 87.7%, outperforming validation-based approaches by 14.88%. Our code is available at [https://github.com/YefanZhou/ModelDiagnosis](https://github.com/YefanZhou/ModelDiagnosis).

Machine learning models are susceptible to membership inference attacks (MIAs), which aim to infer whether a sample is in the training set. Existing work utilizes gradient ascent to enlarge the loss variance of training data, alleviating the privacy risk. However, optimizing toward a reverse direction may cause the model parameters to oscillate near local minima, leading to instability and suboptimal performance. In this work, we propose a novel method -- Convex Concave Loss (CCL), which enables a high variance of training loss distribution by gradient descent. Our method is motivated by the theoretical analysis that convex losses tend to decrease the loss variance during training. Thus, our key idea behind CCL is to reduce the convexity of loss functions with a concave term. Trained with CCL, neural networks produce losses with high variance for training data, reinforcing the defense against MIAs. Extensive experiments demonstrate the superiority of CCL, achieving a state-of-the-art balance in the privacy-utility trade-off.

A major challenge in sample-based inference (SBI) for Bayesian neural networks is the size and structure of the networks’ parameter space. Our work shows that successful SBI is possible by embracing the characteristic relationship between weight and function space, uncovering a systematic link between overparameterization and the difficulty of the sampling problem. Through extensive experiments, we establish practical guidelines for sampling and convergence diagnosis. As a result, we present a deep ensemble initialized approach as an effective solution with competitive performance and uncertainty quantification.

We introduce the Continuum Physical Dataset (ContPhy), a novel benchmark for assessing machine physical commonsense. ContPhy complements existing physical reasoning benchmarks by encompassing the inference of diverse physical properties, such as mass and density, across various scenarios and predicting corresponding dynamics. We evaluated a range of AI models and found that they still struggle to achieve satisfactory performance on ContPhy, which shows that current AI models still lack physical commonsense for the continuum, especially soft-bodies, and illustrates the value of the proposed dataset. We also introduce an oracle model (ContPRO) that marries the particle-based physical dynamic models with the recent large language models, which enjoy the advantages of both models, precise dynamic predictions, and interpretable reasoning. ContPhy aims to spur progress in perception and reasoning within diverse physical settings, narrowing the divide between human and machine intelligence in understanding the physical world.

We establish the first finite-time logarithmic regret bounds for the self-tuning regulation problem. We introduce a modified version of the certainty equivalence algorithm, which we call PIECE, that clips inputs in addition to utilizing probing inputs for exploration. We show that it has a $C \log T$ upper bound on the regret after $T$ time-steps for bounded noise, and $C\log^3 T$ in the case of sub-Gaussian noise, unlike the LQ problem where logarithmic regret is shown to be not possible. The PIECE algorithm is also designed to address the critical challenge of poor initial transient performance of reinforcement learning algorithms for linear systems. Comparative simulation results illustrate the improved performance of PIECE.

Scene graph generation (SGG) is an important task in image understanding because it represents the relationships between objects in an image as a graph structure, making it possible to understand the semantic relationships between objects intuitively. Previous SGG studies used a message-passing neural networks (MPNN) to update features, which can effectively reflect information about surrounding objects. However, these studies have failed to reflect the co-occurrence of objects during SGG generation. In addition, they only addressed the long-tail problem of the training dataset from the perspectives of sampling and learning methods. To address these two problems, we propose CooK, which reflects the Co-occurrence Knowledge between objects, and the learnable term frequency-inverse document frequency (TF-$l$-IDF) to solve the long-tail problem. We applied the proposed model to the SGG benchmark dataset, and the results showed a performance improvement of up to 3.8% compared with existing state-of-the-art models in SGGen subtask. The proposed method exhibits generalization ability from the results obtained, showing uniform performance improvement for all MPNN models.

Humans are able to segment images effortlessly without supervision using perceptual grouping. Here, we propose a counter-intuitive computational approach to solving unsupervised perceptual grouping and segmentation: that they arise *because* of neural noise, rather than in spite of it. We (1) mathematically demonstrate that under realistic assumptions, neural noise can be used to separate objects from each other; (2) that adding noise in a DNN enables the network to segment images even though it was never trained on any segmentation labels; and (3) that segmenting objects using noise results in segmentation performance that aligns with the perceptual grouping phenomena observed in humans, and is sample-efficient. We introduce the Good Gestalt (GG) datasets --- six datasets designed to specifically test perceptual grouping, and show that our DNN models reproduce many important phenomena in human perception, such as illusory contours, closure, continuity, proximity, and occlusion. Finally, we (4) show that our model improves performance on our GG datasets compared to other tested unsupervised models by $24.9$%. Together, our results suggest a novel unsupervised segmentation method requiring few assumptions, a new explanation for the formation of perceptual grouping, and a novel potential benefit of neural noise.

In this paper we theoretically show that interior-point methods based on self-concordant barriers possess favorable global complexity beyond their standard application area of convex optimization. To do that we propose first- and second-order methods for non-convex optimization problems with general convex set constraints and linear constraints. Our methods attain a suitably defined class of approximate first- or second-order KKT points with the worst-case iteration complexity similar to unconstrained problems, namely $O(\varepsilon^{-2})$ (first-order) and $O(\varepsilon^{-3/2})$ (second-order), respectively.

Large language models (LLMs) have shown success in many natural language processing tasks. Despite rigorous safety alignment processes, supposedly safety-aligned LLMs like Llama 2 and Claude 2 are still susceptible to jailbreaks, leading to security risks and abuse of the models. One option to mitigate such risks is to augment the LLM with a dedicated "safeguard", which checks the LLM's inputs or outputs for undesired behaviour. A promising approach is to use the LLM itself as the safeguard. Nonetheless, baseline methods, such as prompting the LLM to self-classify toxic content, demonstrate limited efficacy. We hypothesise that this is due to domain shift: the alignment training imparts a self-censoring behaviour to the model ("Sorry I can't do that"), while the self-classify approach shifts it to a classification format ("Is this prompt malicious"). In this work, we propose PARDEN, which avoids this domain shift by simply asking the model to repeat its own outputs. PARDEN neither requires finetuning nor white box access to the model. We empirically verify the effectiveness of our method and show that PARDEN significantly outperforms existing jailbreak detection baselines for Llama-2 and Claude-2. We find that PARDEN is particularly powerful in the relevant regime of high True Positive Rate (TPR) and low False Positive Rate (FPR). For instance, for Llama2-7B, at TPR equal to 90%, PARDEN accomplishes a roughly 11x reduction in the FPR from 24.8% to 2.0% on the harmful behaviours dataset. Code and data are available at https://github.com/Ed-Zh/PARDEN.

We consider Bayesian optimization using Gaussian Process models, also referred to as kernel-based bandit optimization. We study the methodology of exploring the domain using random samples drawn from a distribution. We show that this random exploration approach achieves the optimal error rates. Our analysis is based on novel concentration bounds in an infinite dimensional Hilbert space established in this work, which may be of independent interest. We further develop an algorithm based on random exploration with domain shrinking and establish its order-optimal regret guarantees under both noise-free and noisy settings. In the noise-free setting, our analysis closes the existing gap in regret performance under a mild assumption on the underlying function and thereby *partially resolves a COLT open problem*. The proposed algorithm also enjoys a computational advantage over prevailing methods due to the random exploration that obviates the expensive optimization of a non-convex acquisition function for choosing the query points at each iteration.