ICLR 2024 Papers

We study the problem of modeling a population of agents pursuing unknown goals subject to unknown computational constraints. In standard models of bounded rationality, sub-optimal decision-making is simulated by adding homoscedastic noise to optimal decisions rather than actually simulating constrained inference. In this work, we introduce a latent inference budget model (L-IBM) that models these constraints explicitly, via a latent variable (inferred jointly with a model of agents’ goals) that controls the runtime of an iterative inference algorithm. L-IBMs make it possible to learn agent models using data from diverse populations of suboptimal actors. In three modeling tasks—inferring navigation goals from routes, inferring communicative intents from human utterances, and predicting next moves in human chess games—we show that L-IBMs match or outperforms Boltzmann models of decision-making under uncertainty. Moreover, the inferred inference budgets are themselves meaningful, efficient to compute, and correlated with measures of player skill, partner skill and task difficulty.

Realistic synthetic electronic health records (EHRs) can be leveraged to acceler- ate methodological developments for research purposes while mitigating privacy concerns associated with data sharing. However, the training of Generative Ad- versarial Networks remains challenging, often resulting in issues like mode col- lapse. While diffusion models have demonstrated progress in generating qual- ity synthetic samples for tabular EHRs given ample denoising steps, their perfor- mance wanes when confronted with missing modalities in heterogeneous tabular EHRs data. For example, some EHRs contain solely static measurements, and some contain only contain temporal measurements, or a blend of both data types. To bridge this gap, we introduce FLEXGEN-EHR– a versatile diffusion model tai- lored for heterogeneous tabular EHRs, equipped with the capability of handling missing modalities in an integrative learning framework. We define an optimal transport module to align and accentuate the common feature space of hetero- geneity of EHRs. We empirically show that our model consistently outperforms existing state-of-the-art synthetic EHR generation methods both in fidelity by up to 3.10% and utility by up to 7.16%. Additionally, we show that our method can be successfully used in privacy-sensitive settings, where the original patient-level data cannot be shared.

Recent years have witnessed the rapid progress and broad application of diffusion probabilistic models (DPMs). Sampling from DPMs can be viewed as solving an ordinary differential equation (ODE). Despite the promising performance, the generation of DPMs usually consumes much time due to the large number of function evaluations (NFE). Though recent works have accelerated the sampling to around 20 steps with high-order solvers, the sample quality with less than 10 NFE can still be improved. In this paper, we propose a unified sampling framework (USF) to study the optional strategies for solver. Under this framework, we further reveal that taking different solving strategies at different timesteps may help further decrease the truncation error, and a carefully designed \emph{solver schedule} has the potential to improve the sample quality by a large margin. Therefore, we propose a new sampling framework based on the exponential integral formulation that allows free choices of solver strategy at each step and design specific decisions for the framework. Moreover, we propose $S^3$, a predictor-based search method that automatically optimizes the solver schedule to get a better time-quality trade-off of sampling. We demonstrate that $S^3$ can find outstanding solver schedules which outperform the state-of-the-art sampling methods on CIFAR-10, CelebA, ImageNet-64, and LSUN-Bedroom datasets. Specifically, we achieve 2.69 FID with 9 NFE and 6.86 FID with 5 NFE on CIFAR-10 dataset, outperforming the SOTA method significantly. We further apply $S^3$ to Stable-Diffusion model and get an acceleration ratio of 2$\times$, showing the feasibility of sampling in very few steps without retraining of the neural network.

Cross Attention is a popular method for retrieving information from a set of context tokens for making predictions. At inference time, for each prediction, Cross Attention scans the full set of $\mathcal{O}(N)$ tokens. In practice, however, often only a small subset of tokens are required for good performance. Methods such as Perceiver IO are cheap at inference as they distill the information to a smaller-sized set of latent tokens $L < N$ on which cross attention is then applied, resulting in only $\mathcal{O}(L)$ complexity. However, in practice, as the number of input tokens and the amount of information to distill increases, the number of latent tokens needed also increases significantly. In this work, we propose Tree Cross Attention (TCA) - a module based on Cross Attention that only retrieves information from a logarithmic $\mathcal{O}(\log(N))$ number of tokens for performing inference. TCA organizes the data in a tree structure and performs a tree search at inference time to retrieve the relevant tokens for prediction. Leveraging TCA, we introduce ReTreever, a flexible architecture for token-efficient inference. We show empirically that Tree Cross Attention (TCA) performs comparable to Cross Attention across various classification and uncertainty regression tasks while being significantly more token-efficient. Furthermore, we compare ReTreever against Perceiver IO, showing significant gains while using the same number of tokens for inference.

Recently, remarkable progress has been made on automated problem solving through societies of agents based on large language models (LLMs). Previous LLM-based multi-agent systems can already solve simple dialogue tasks. More complex tasks, however, face challenges through logic inconsistencies due to cascading hallucinations caused by naively chaining LLMs. Here we introduce MetaGPT, an innovative meta-programming framework incorporating efficient human workflows into LLM-based multi-agent collaborations. MetaGPT encodes Standardized Operating Procedures (SOPs) into prompt sequences for more streamlined workflows, thus allowing agents with human-like domain expertise to verify intermediate results and reduce errors. MetaGPT utilizes an assembly line paradigm to assign diverse roles to various agents, efficiently breaking down complex tasks into subtasks involving many agents working together. On collaborative software engineering benchmarks, MetaGPT generates more coherent solutions than previous chat-based multi-agent systems.

We lack a systematic understanding of the effects of fine-tuning (via methods such as instruction-tuning or reinforcement learning from human feedback), particularly on tasks outside the narrow fine-tuning distribution. In a simplified scenario, we demonstrate that improving performance on tasks within the fine-tuning data distribution comes at the expense of capabilities on other tasks. We hypothesize that language models implicitly infer the task of the prompt and that fine-tuning skews this inference towards tasks in the fine-tuning distribution. To test this, we propose Conjugate Prompting, which artificially makes the task look farther from the fine-tuning distribution while requiring the same capability, and we find that this recovers some of the pretraining capabilities in our synthetic setup. Since real-world fine-tuning distributions are predominantly English, we apply conjugate prompting to recover pretrained capabilities in LLMs by simply translating the prompts to different languages. This allows us to recover in-context learning abilities lost via instruction tuning, natural reasoning capability lost during code fine-tuning, and, more concerningly, harmful content generation suppressed by safety fine-tuning in chatbots like ChatGPT.

Modern deep learning requires large volumes of data, which could contain sensitive or private information that cannot be leaked. Recent work has shown for homogeneous neural networks a large portion of this training data could be reconstructed with only access to the trained network parameters. While the attack was shown to work empirically, there exists little formal understanding of its effective regime and which datapoints are susceptible to reconstruction. In this work, we first build a stronger version of the dataset reconstruction attack and show how it can provably recover the \emph{entire training set} in the infinite width regime. We then empirically study the characteristics of this attack on two-layer networks and reveal that its success heavily depends on deviations from the frozen infinite-width Neural Tangent Kernel limit. Next, we study the nature of easily-reconstructed images. We show that both theoretically and empirically, reconstructed images tend to ``outliers'' in the dataset, and that these reconstruction attacks can be used for \textit{dataset distillation}, that is, we can retrain on reconstructed images and obtain high predictive accuracy.

When a small number of poisoned samples are injected into the training dataset of a deep neural network, the network can be induced to exhibit malicious behavior during inferences, which poses potential threats to real-world applications. While they have been intensively studied in classification, backdoor attacks on semantic segmentation have been largely overlooked. Unlike classification, semantic segmentation aims to classify every pixel within a given image. In this work, we explore backdoor attacks on segmentation models to misclassify all pixels of a victim class by injecting a specific trigger on non-victim pixels during inferences, which is dubbed Influencer Backdoor Attack (IBA). IBA is expected to maintain the classification accuracy of non-victim pixels and mislead classifications of all victim pixels in every single inference and could be easily applied to real-world scenes. Based on the context aggregation ability of segmentation models, we proposed a simple, yet effective, Nearest-Neighbor trigger injection strategy. We also introduce an innovative Pixel Random Labeling strategy which maintains optimal performance even when the trigger is placed far from the victim pixels. Our extensive experiments reveal that current segmentation models do suffer from backdoor attacks, demonstrate IBA real-world applicability, and show that our proposed techniques can further increase attack performance.

COMpression with Bayesian Implicit NEural Representations (COMBINER) is a recent data compression method that addresses a key inefficiency of previous Implicit Neural Representation (INR)-based approaches: it avoids quantization and enables direct optimization of the rate-distortion performance. However, COMBINER still has significant limitations: 1) it uses factorized priors and posterior approximations that lack flexibility; 2) it cannot effectively adapt to local deviations from global patterns in the data; and 3) its performance can be susceptible to modeling choices and the variational parameters' initializations. Our proposed method, Robust and Enhanced COMBINER (RECOMBINER), addresses these issues by 1) enriching the variational approximation while retaining a low computational cost via a linear reparameterization of the INR weights, 2) augmenting our INRs with learnable positional encodings that enable them to adapt to local details and 3) splitting high-resolution data into patches to increase robustness and utilizing expressive hierarchical priors to capture dependency across patches. We conduct extensive experiments across several data modalities, showcasing that RECOMBINER achieves competitive results with the best INR-based methods and even outperforms autoencoder-based codecs on low-resolution images at low bitrates. Our PyTorch implementation is available at https://github.com/cambridge-mlg/RECOMBINER/.

Fine-tuning is essential to adapting pre-trained large language models to downstream applications. With the increasing popularity of LLM-enabled applications, fine-tuning has been performed intensively worldwide, incurring a tremendous amount of computing costs that correspond to big carbon footprint and environmental impact. Mitigating such environmental impact directly correlates to reducing the fine-tuning FLOPs. Existing fine-tuning schemes focus on either saving memory or reducing the overhead of computing weight updates, but cannot achieve sufficient FLOPs reduction due to their ignorance of the training cost in backpropagation. To address this limitation, in this paper we present GreenTrainer, a new technique that minimizes the FLOPs of LLM fine-tuning via adaptive backpropagation, which adaptively selects the most appropriate set of LLM tensors for fine-tuning based on their importance and backpropagation cost in training. Experiment results show that GreenTrainer can save up to 64\% training FLOPs compared to full fine-tuning, without any noticeable accuracy loss. Compared to the existing schemes such as Prefix Tuning and LoRA, GreenTrainer can achieve up to 4\% improvement of model accuracy, with on-par FLOPs reduction.

Large web-crawled multimodal datasets have powered a slew of new methods for learning general-purpose visual representations, advancing the state of the art in computer vision and revolutionizing zero- and few-shot recognition. One crucial decision facing practitioners is how, if at all, to curate these ever-larger datasets. For example, the creators of the LAION-5B dataset chose to retain only image-caption pairs whose CLIP similarity score exceeded a designated threshold. In this paper, we propose a new state-of-the-art data filtering approach motivated by our observation that nearly $40\%$ of LAION's images contain text that overlaps significantly with the caption. Intuitively, such data could be wasteful as it incentivizes models to perform optical character recognition rather than learning visual features. However, naively removing all such data could also be wasteful, as it throws away images that contain visual features (in addition to overlapping text). Our simple and scalable approach, T-MARS (Text Masking and Re-Scoring), filters out only those pairs where the text dominates the remaining visual features---by first masking out the text and then filtering out those with a low CLIP similarity score of the masked image with original captions. Experimentally, T-MARS is the top ranked approach on Imagenet at ``medium scale'' of DataComp (a data filtering benchmark), and outperforms CLIP filtering by a margin of $6.5\%$ on ImageNet and $4.7\%$ on VTAB. Additionally, we show that the accuracy gains enjoyed by T-MARS linearly increase as data and compute are scaled exponentially.

Deep graph clustering has recently received significant attention due to its ability to enhance the representation learning capabilities of models in unsupervised scenarios. Nevertheless, deep clustering for temporal graphs, which could capture crucial dynamic interaction information, has not been fully explored. It means that in many clustering-oriented real-world scenarios, temporal graphs can only be processed as static graphs. This not only causes the loss of dynamic information but also triggers huge computational consumption. To solve the problem, we propose a general framework for deep Temporal Graph Clustering called TGC, which introduces deep clustering techniques to suit the interaction sequence-based batch-processing pattern of temporal graphs. In addition, we discuss differences between temporal graph clustering and static graph clustering from several levels. To verify the superiority of the proposed framework TGC, we conduct extensive experiments. The experimental results show that temporal graph clustering enables more flexibility in finding a balance between time and space requirements, and our framework can effectively improve the performance of existing temporal graph learning methods. The code is released: https://github.com/MGitHubL/Deep-Temporal-Graph-Clustering.

Modern learning-based approaches to 3D-aware image synthesis achieve high photorealism and 3D-consistent viewpoint changes for the generated images. Existing approaches represent instances in a shared canonical space. However, for in-the-wild datasets a shared canonical system can be difficult to define or might not even exist. In this work, we instead model instances in view space, alleviating the need for posed images and learned camera distributions. We find that in this setting, existing GAN-based methods are prone to generating flat geometry and struggle with distribution coverage. We hence propose WildFusion, a new approach to 3D-aware image synthesis based on latent diffusion models (LDMs). We first train an autoencoder that infers a compressed latent representation, which additionally captures the images’ underlying 3D structure and enables not only reconstruction but also novel view synthesis. To learn a faithful 3D representation, we leverage cues from monocular depth prediction. Then, we train a diffusion model in the 3D-aware latent space, thereby enabling synthesis of high-quality 3D-consistent image samples, outperforming recent state-of-the-art GAN-based methods. Importantly, our 3D-aware LDM is trained without any direct supervision from multiview images or 3D geometry and does not require posed images or learned pose or camera distributions. It directly learns a 3D representation without relying on canonical camera coordinates. This opens up promising research avenues for scalable 3D-aware image synthesis and 3D content creation from in-the-wild image data.

Maximum mean discrepancy (MMD) flows suffer from high computational costs in large scale computations. In this paper, we show that MMD flows with Riesz kernels $K(x,y) = - \|x-y\|^r$, $r \in (0,2)$ have exceptional properties which allow their efficient computation. We prove that the MMD of Riesz kernels, which is also known as energy distance, coincides with the MMD of their sliced version. As a consequence, the computation of gradients of MMDs can be performed in the one-dimensional setting. Here, for $r=1$, a simple sorting algorithm can be applied to reduce the complexity from $O(MN+N^2)$ to $O((M+N)\log(M+N))$ for two measures with $M$ and $N$ support points. As another interesting follow-up result, the MMD of compactly supported measures can be estimated from above and below by the Wasserstein-1 distance. For the implementations we approximate the gradient of the sliced MMD by using only a finite number $P$ of slices. We show that the resulting error has complexity \smash{$O(\sqrt{d/P})$}, where $d$ is the data dimension. These results enable us to train generative models by approximating MMD gradient flows by neural networks even for image applications. We demonstrate the efficiency of our model by image generation on MNIST, FashionMNIST and CIFAR10.

Out-of-distribution (OOD) generalization is critical for machine learning models deployed in the real world. However, achieving this can be fundamentally challenging, as it requires the ability to learn invariant features across different domains or environments. In this paper, we propose a novel framework HYPO (HYPerspherical OOD generalization) that provably learns domain-invariant representations in a hyperspherical space. In particular, our hyperspherical learning algorithm is guided by intra-class variation and inter-class separation principles—ensuring that features from the same class (across different training domains) are closely aligned with their class prototypes, while different class prototypes are maximally separated. We further provide theoretical justifications on how our prototypical learning objective improves the OOD generalization bound. Through extensive experiments on challenging OOD benchmarks, we demonstrate that our approach outperforms competitive baselines and achieves superior performance. Code is available at https://github.com/deeplearning-wisc/hypo.

Generative Flow Networks (GFlowNets) have been introduced as a method to sample a diverse set of candidates with probabilities proportional to a given reward. However, GFlowNets can only be used with a predefined scalar reward, which can be either computationally expensive or not directly accessible, in the case of multi-objective optimization (MOO) tasks for example. Moreover, to prioritize identifying high-reward candidates, the conventional practice is to raise the reward to a higher exponent, the optimal choice of which may vary across different environments. To address these issues, we propose Order-Preserving GFlowNets (OP-GFNs), which sample with probabilities in proportion to a learned reward function that is consistent with a provided (partial) order on the candidates, thus eliminating the need for an explicit formulation of the reward function. We theoretically prove that the training process of OP-GFNs gradually sparsifies the learned reward landscape in single-objective maximization tasks. The sparsification concentrates on candidates of a higher hierarchy in the ordering, ensuring exploration at the beginning and exploitation towards the end of the training. We demonstrate OP-GFN's state-of-the-art performance in single-objective maximization (totally ordered) and multi-objective Pareto front approximation (partially ordered) tasks, including synthetic datasets, molecule generation, and neural architecture search.

The wide-ranging applications of large language models (LLMs), especially in safety-critical domains, necessitate the proper evaluation of the LLM’s adversarial robustness. This paper proposes an efficient tool to audit the LLM’s adversarial robustness via a prompt-based adversarial attack (PromptAttack). PromptAttack converts adversarial textual attacks into an attack prompt that can cause the victim LLM to output the adversarial sample to fool itself. The attack prompt is composed of three important components: (1) original input (OI) including the original sample and its ground-truth label, (2) attack objective (AO) illustrating a task description of generating a new sample that can fool itself without changing the semantic meaning, and (3) attack guidance (AG) containing the perturbation instructions to guide the LLM on how to complete the task by perturbing the original sample at character, word, and sentence levels, respectively. Besides, we use a fidelity filter to ensure that PromptAttack maintains the original semantic meanings of the adversarial examples. Further, we enhance the attack power of PromptAttack by ensembling adversarial examples at different perturbation levels. Comprehensive empirical results using Llama2 and GPT-3.5 validate that PromptAttack consistently yields a much higher attack success rate compared to AdvGLUE and AdvGLUE++. Interesting findings include that a simple emoji can easily mislead GPT-3.5 to make wrong predictions. Our source code is available at https://github.com/GodXuxilie/PromptAttack.

The task of out-of-distribution (OOD) detection is notoriously ill-defined. Earlier works focused on new-class detection, aiming to identify label-altering data distribution shifts, also known as "semantic shift." However, recent works argue for a focus on failure detection, expanding the OOD evaluation framework to account for label-preserving data distribution shifts, also known as "covariate shift.” Intriguingly, under this new framework, complex OOD detectors that were previously considered state-of-the-art now perform similarly to, or even worse than the simple maximum softmax probability baseline. This raises the question: what are the latest OOD detectors actually detecting? Deciphering the behavior of OOD detection algorithms requires evaluation datasets that decouples semantic shift and covariate shift. To aid our investigations, we present ImageNet-OOD, a clean semantic shift dataset that minimizes the interference of covariate shift. Through comprehensive experiments, we show that OOD detectors are more sensitive to covariate shift than to semantic shift, and the benefits of recent OOD detection algorithms on semantic shift detection is minimal. Our dataset and analyses provide important insights for guiding the design of future OOD detectors.

Language models have outpaced our ability to evaluate them effectively, but for their future development it is essential to study the frontier of their capabilities. We find real-world software engineering to be a rich, sustainable, and challenging testbed for evaluating the next generation of language models. To this end, we introduce SWE-bench, an evaluation framework consisting of 2,294 software engineering problems drawn from real GitHub issues and corresponding pull requests across 12 popular Python repositories. Given a codebase along with a description of an issue to be resolved, a language model is tasked with editing the codebase to address the issue. Resolving issues in SWE-bench frequently requires understanding and coordinating changes across multiple functions, classes, and even files simultaneously, calling for models to interact with execution environments, process extremely long contexts and perform complex reasoning that goes far beyond traditional code generation tasks. Our evaluations show that both state-of-the-art proprietary models and our fine-tuned model SWE-Llama can resolve only the simplest issues. The best-performing model, Claude 2, is able to solve a mere 1.96% of the issues. Advances on SWE-bench represent steps towards LMs that are more practical, intelligent, and autonomous.