NeurIPS 2023 论文列表

Transfer-based attacks are a practical method of black-box adversarial attacks, in which the attacker aims to craft adversarial examples from a source (surrogate) model that is transferable to the target model. A wide range of empirical works has tried to explain the transferability of adversarial examples from different angles. However, these works only provide ad hoc explanations without quantitative analyses. The theory behind transfer-based attacks remains a mystery. This paper studies transfer-based attacks under a unified theoretical framework. We propose an explanatory model, called the manifold attack model, that formalizes popular beliefs and explains the existing empirical results. Our model explains why adversarial examples are transferable even when the source model is inaccurate. Moreover, our model implies that the existence of transferable adversarial examples depends on the “curvature” of the data manifold, which quantitatively explains why the success rates of transfer-based attacks are hard to improve. We also discuss the expressive power and the possible extensions of our model in general applications.

Partitioning a set of elements into an unknown number of mutually exclusive subsets is essential in many machine learning problems. However, assigning elements, such as samples in a dataset or neurons in a network layer, to an unknown and discrete number of subsets is inherently non-differentiable, prohibiting end-to-end gradient-based optimization of parameters. We overcome this limitation by proposing a novel two-step method for inferring partitions, which allows its usage in variational inference tasks. This new approach enables reparameterized gradients with respect to the parameters of the new random partition model. Our method works by inferring the number of elements per subset and, second, by filling these subsets in a learned order. We highlight the versatility of our general-purpose approach on three different challenging experiments: variational clustering, inference of shared and independent generative factors under weak supervision, and multitask learning.

In many real-world settings exact perturbation sets to be used by an adversary are not plausibly available to a learner. While prior literature has studied both scenarios with completely known and completely unknown perturbation sets, we propose an in-between setting of learning with respect to a class of perturbation sets. We show that in this setting we can improve on previous results with completely unknown perturbation sets, while still addressing the concerns of not having perfect knowledge of these sets in real life. In particular, we give the first positive results for the learnability of infinite Littlestone classes when having access to a perfect-attack oracle. We also consider a setting of learning with abstention, where predictions are considered robustness violations, only when the wrong prediction is made within the perturbation set. We show there are classes for which perturbation-set unaware learning without query access is possible, but abstention is required.

Most language models (LMs) are trained and applied in an autoregressive left-to-right fashion, predicting the next token from the preceding ones. However, this ignores that the full sequence is available during training. In this paper, we introduce ``Meet in the Middle'' (MIM) a new pre-training paradigm that improves data efficiency by training in two directions, left-to-right and right-to-left, and encouraging the respective models to agree on their token distribution for each position. While the primary outcome is an improved left-to-right LM, we also obtain secondary benefits in the infilling task. There, we leverage the two pre-trained directions to propose an infilling procedure that builds the completion simultaneously from both sides. We conduct extensive experiments on both programming and natural languages and show that MIM significantly surpasses existing pre-training paradigms, in both left-to-right generation as well as infilling. Code and models available at https://github.com/microsoft/Meet-in-the-Middle

In this paper, we present a novel robust framework for low-level vision tasks, including denoising, object removal, frame interpolation, and super-resolution, that does not require any external training data corpus. Our proposed approach directly learns the weights of neural modules by optimizing over the corrupted test sequence, leveraging the spatio-temporal coherence and internal statistics of videos. Furthermore, we introduce a novel spatial pyramid loss that leverages the property of spatio-temporal patch recurrence in a video across the different scales of the video. This loss enhances robustness to unstructured noise in both the spatial and temporal domains. This further results in our framework being highly robust to degradation in input frames and yields state-of-the-art results on downstream tasks such as denoising, object removal, and frame interpolation. To validate the effectiveness of our approach, we conduct qualitative and quantitative evaluations on standard video datasets such as DAVIS, UCF-101, and VIMEO90K-T.

Neural networks are emerging as a tool for scalable data-driven simulation of high-dimensional dynamical systems, especially in settings where numerical methods are infeasible or computationally expensive. Notably, it has been shown that incorporating domain symmetries in deterministic neural simulators can substantially improve their accuracy, sample efficiency, and parameter efficiency. However, to incorporate symmetries in probabilistic neural simulators that can simulate stochastic phenomena, we need a model that produces equivariant distributions over trajectories, rather than equivariant function approximations. In this paper, we propose Equivariant Probabilistic Neural Simulation (EPNS), a framework for autoregressive probabilistic modeling of equivariant distributions over system evolutions. We use EPNS to design models for a stochastic n-body system and stochastic cellular dynamics. Our results show that EPNS considerably outperforms existing neural network-based methods for probabilistic simulation. More specifically, we demonstrate that incorporating equivariance in EPNS improves simulation quality, data efficiency, rollout stability, and uncertainty quantification. We conclude that EPNS is a promising method for efficient and effective data-driven probabilistic simulation in a diverse range of domains.

A good metric, which promises a reliable comparison between solutions, is essential for any well-defined task. Unlike most vision tasks that have per-sample ground-truth, image synthesis tasks target generating unseen data and hence are usually evaluated through a distributional distance between one set of real samples and another set of generated samples. This study presents an empirical investigation into the evaluation of synthesis performance, with generative adversarial networks (GANs) as a representative of generative models. In particular, we make in-depth analyses of various factors, including how to represent a data point in the representation space, how to calculate a fair distance using selected samples, and how many instances to use from each set. Extensive experiments conducted on multiple datasets and settings reveal several important findings. Firstly, a group of models that include both CNN-based and ViT-based architectures serve as reliable and robust feature extractors for measurement evaluation. Secondly, Centered Kernel Alignment (CKA) provides a better comparison across various extractors and hierarchical layers in one model. Finally, CKA is more sample-efficient and enjoys better agreement with human judgment in characterizing the similarity between two internal data correlations. These findings contribute to the development of a new measurement system, which enables a consistent and reliable re-evaluation of current state-of-the-art generative models.

Pretrained transformers exhibit the remarkable ability of in-context learning (ICL): they can learn tasks from just a few examples provided in the prompt without updating any weights. This raises a foundational question: can ICL solve fundamentally _new_ tasks that are very different from those seen during pretraining? To probe this question, we examine ICL’s performance on linear regression while varying the diversity of tasks in the pretraining dataset. We empirically demonstrate a _task diversity threshold_ for the emergence of ICL. Below this threshold, the pretrained transformer cannot solve unseen regression tasks, instead behaving like a Bayesian estimator with the _non-diverse pretraining task distribution_ as the prior. Beyond this threshold, the transformer significantly outperforms this estimator; its behavior aligns with that of ridge regression, corresponding to a Gaussian prior over _all tasks_, including those not seen during pretraining. Thus, when pretrained on data with task diversity greater than the threshold, transformers _can_ optimally solve fundamentally new tasks in-context. Importantly, this capability hinges on it deviating from the Bayes optimal estimator with the pretraining distribution as the prior. This study also explores the effect of regularization, model capacity and task structure and underscores, in a concrete example, the critical role of task diversity, alongside data and model scale, in the emergence of ICL.

Existing large language models (LLMs) can only afford fix-sized inputs due to the input length limit, preventing them from utilizing rich long-context information from past inputs. To address this, we propose a framework, Language Models Augmented with Long-Term Memory (LongMem), which enables LLMs to memorize long history. We design a novel decoupled network architecture with the original backbone LLM frozen as a memory encoder and an adaptive residual side-network as a memory retriever and reader. Such a decoupled memory design can easily cache and update long-term past contexts for memory retrieval without suffering from memory staleness. Enhanced with memory-augmented adaptation training, LongMem can thus memorize long past context and use long-term memory for language modeling. The proposed memory retrieval module can handle unlimited-length context in its memory bank to benefit various downstream tasks. Typically, LongMem can enlarge the long-form memory to 65k tokens and thus cache many-shot extra demonstration examples as long-form memory for in-context learning. Experiments show that our method outperforms strong long-context models on ChapterBreak, a challenging long-context modeling benchmark, and achieves remarkable improvements on memory-augmented in-context learning over LLMs. The results demonstrate that the proposed method is effective in helping language models to memorize and utilize long-form contents.

Sparse linear models are one of several core tools for interpretable machine learning, a field of emerging importance as predictive models permeate decision-making in many domains. Unfortunately, sparse linear models are far less flexible as functions of their input features than black-box models like deep neural networks. With this capability gap in mind, we study a not-uncommon situation where the input features dichotomize into two groups: explanatory features, which are candidates for inclusion as variables in an interpretable model, and contextual features, which select from the candidate variables and determine their effects. This dichotomy leads us to the contextual lasso, a new statistical estimator that fits a sparse linear model to the explanatory features such that the sparsity pattern and coefficients vary as a function of the contextual features. The fitting process learns this function nonparametrically via a deep neural network. To attain sparse coefficients, we train the network with a novel lasso regularizer in the form of a projection layer that maps the network's output onto the space of $\ell_1$-constrained linear models. An extensive suite of experiments on real and synthetic data suggests that the learned models, which remain highly transparent, can be sparser than the regular lasso without sacrificing the predictive power of a standard deep neural network.

What can be learned about causality and experimentation from passive data? This question is salient given recent successes of passively-trained language models in interactive domains such as tool use. Passive learning is inherently limited. However, we show that purely passive learning can in fact allow an agent to learn generalizable strategies for determining and using causal structures, as long as the agent can intervene at test time. We formally illustrate that learning a strategy of first experimenting, then seeking goals, can allow generalization from passive learning in principle. We then show empirically that agents trained via imitation on expert data can indeed generalize at test time to infer and use causal links which are never present in the training data; these agents can also generalize experimentation strategies to novel variable sets never observed in training. We then show that strategies for causal intervention and exploitation can be generalized from passive data even in a more complex environment with high-dimensional observations, with the support of natural language explanations. Explanations can even allow passive learners to generalize out-of-distribution from perfectly-confounded training data. Finally, we show that language models, trained only on passive next-word prediction, can generalize causal intervention strategies from a few-shot prompt containing explanations and reasoning. These results highlight the surprising power of passive learning of active causal strategies, and have implications for understanding the behaviors and capabilities of language models.

Modern recommender systems perform large-scale retrieval by embedding queries and item candidates in the same unified space, followed by approximate nearest neighbor search to select top candidates given a query embedding. In this paper, we propose a novel generative retrieval approach, where the retrieval model autoregressively decodes the identifiers of the target candidates. To that end, we create semantically meaningful tuple of codewords to serve as a Semantic ID for each item. Given Semantic IDs for items in a user session, a Transformer-based sequence-to-sequence model is trained to predict the Semantic ID of the next item that the user will interact with. We show that recommender systems trained with the proposed paradigm significantly outperform the current SOTA models on various datasets. In addition, we show that incorporating Semantic IDs into the sequence-to-sequence model enhances its ability to generalize, as evidenced by the improved retrieval performance observed for items with no prior interaction history.

Federated learning (FL) suffers from data heterogeneity, where the diverse data distributions across clients make it challenging to train a single global model effectively. Existing personalization approaches aim to address the data heterogeneity issue by creating a personalized model for each client from the global model that fits their local data distribution. However, these personalized models may achieve lower accuracy than the global model in some clients, resulting in limited performance improvement compared to that without personalization. To overcome this limitation, we propose a per-instance personalization FL algorithm Flow. Flow creates dynamic personalized models that are adaptive not only to each client’s data distributions but also to each client’s data instances. The personalized model allows each instance to dynamically determine whether it prefers the local parameters or its global counterpart to make correct predictions, thereby improving clients’ accuracy. We provide theoretical analysis on the convergence of Flow and empirically demonstrate the superiority of Flow in improving clients’ accuracy compared to state-of-the-art personalization approaches on both vision and language-based tasks.

Integrating large language models (LLMs) with various tools has led to increased attention in the field. Existing approaches either involve fine-tuning the LLM, which is both computationally costly and limited to a fixed set of tools, or prompting LLMs by in-context tool demonstrations. Although the latter method offers adaptability to new tools, it struggles with the inherent context length constraint of LLMs when many new tools are presented, and mastering a new set of tools with few-shot examples remains challenging, resulting in suboptimal performance. To address these limitations, we propose a novel solution, named **ToolkenGPT**, wherein LLMs effectively learn to master tools as predicting tokens through **tool embeddings** for solving complex tasks. In this framework, each tool is transformed into vector embeddings and plugged into the language model head. Once the function is triggered during text generation, the LLM enters a special function mode to execute the tool calls. Our experiments show that function embeddings effectively help LLMs understand tool use and improve on several tasks, including numerical reasoning, knowledge-based question answering and embodied decision-making.

In recent years, pre-trained large language models (LLMs) have demonstrated remarkable efficiency in achieving an inference-time few-shot learning capability known as in-context learning. However, existing literature has highlighted the sensitivity of this capability to the selection of few-shot demonstrations. Current understandings of the underlying mechanisms by which this capability arises from regular language model pretraining objectives remain disconnected from the real-world LLMs. This study aims to examine the in-context learning phenomenon through a Bayesian lens, viewing real-world LLMs as latent variable models. On this premise, we propose an algorithm to select optimal demonstrations from a set of annotated data with a small LM, and then directly generalize the selected demonstrations to larger LMs. We demonstrate significant improvement over baselines, averaged over eight GPT models on eight real-world text classification datasets. We also demonstrate the real-world usefulness of our algorithm on GSM8K, a math word problem dataset. Our empirical findings support our hypothesis that LLMs implicitly infer a latent variable containing task information.

We propose a new method for separating superimposed sources using diffusion-based generative models. Our method relies only on separately trained statistical priors of independent sources to establish a new objective function guided by $\textit{maximum a posteriori}$ estimation with an $\textit{$\alpha$-posterior}$, across multiple levels of Gaussian smoothing. Motivated by applications in radio-frequency (RF) systems, we are interested in sources with underlying discrete nature and the recovery of encoded bits from a signal of interest, as measured by the bit error rate (BER). Experimental results with RF mixtures demonstrate that our method results in a BER reduction of 95\% over classical and existing learning-based methods. Our analysis demonstrates that our proposed method yields solutions that asymptotically approach the modes of an underlying discrete distribution. Furthermore, our method can be viewed as a multi-source extension to the recently proposed score distillation sampling scheme, shedding additional light on its use beyond conditional sampling. The project webpage is available at https://alpha-rgs.github.io.

The development of efficient machine learning models for molecular systems representation is becoming crucial in scientific research. We introduce TensorNet, an innovative O(3)-equivariant message-passing neural network architecture that leverages Cartesian tensor representations. By using Cartesian tensor atomic embeddings, feature mixing is simplified through matrix product operations. Furthermore, the cost-effective decomposition of these tensors into rotation group irreducible representations allows for the separate processing of scalars, vectors, and tensors when necessary. Compared to higher-rank spherical tensor models, TensorNet demonstrates state-of-the-art performance with significantly fewer parameters. For small molecule potential energies, this can be achieved even with a single interaction layer. As a result of all these properties, the model's computational cost is substantially decreased. Moreover, the accurate prediction of vector and tensor molecular quantities on top of potential energies and forces is possible. In summary, TensorNet's framework opens up a new space for the design of state-of-the-art equivariant models.

Discovering object-centric representations from images has the potential to greatly improve the robustness, sample efficiency and interpretability of machine learning algorithms. Current works on multi-object images typically follow a generative approach that optimizes for input reconstruction and fail to scale to real-world datasets despite significant increases in model capacity. We address this limitation by proposing a novel method that leverages feature connectivity to cluster neighboring pixels likely to belong to the same object. We further design two object-centric regularization terms to refine object representations in the latent space, enabling our approach to scale to complex real-world images. Experimental results on simulated, real-world, complex texture and common object images demonstrate a substantial improvement in the quality of discovered objects compared to state-of-the-art methods, as well as the sample efficiency and generalizability of our approach. We also show that the discovered object-centric representations can accurately predict key object properties in downstream tasks, highlighting the potential of our method to advance the field of multi-object representation learning.

The recent proliferation of large-scale text-to-image models has led to growing concerns that such models may be misused to generate harmful, misleading, and inappropriate content. Motivated by this issue, we derive a technique inspired by continual learning to selectively forget concepts in pretrained deep generative models. Our method, dubbed Selective Amnesia, enables controllable forgetting where a user can specify how a concept should be forgotten. Selective Amnesia can be applied to conditional variational likelihood models, which encompass a variety of popular deep generative frameworks, including variational autoencoders and large-scale text-to-image diffusion models. Experiments across different models demonstrate that our approach induces forgetting on a variety of concepts, from entire classes in standard datasets to celebrity and nudity prompts in text-to-image models.