ICLR 2024 Papers

Fairness-aware graph neural networks (GNNs) have gained a surge of attention as they can reduce the bias of predictions on any demographic group (e.g., female) in graph-based applications. Although these methods greatly improve the algorithmic fairness of GNNs, the fairness can be easily corrupted by carefully designed adversarial attacks. In this paper, we investigate the problem of adversarial attacks on fairness of GNNs and propose G-FairAttack, a general framework for attacking various types of fairness-aware GNNs in terms of fairness with an unnoticeable effect on prediction utility. In addition, we propose a fast computation technique to reduce the time complexity of G-FairAttack. The experimental study demonstrates that G-FairAttack successfully corrupts the fairness of different types of GNNs while keeping the attack unnoticeable. Our study on fairness attacks sheds light on potential vulnerabilities in fairness-aware GNNs and guides further research on the robustness of GNNs in terms of fairness.

Typical diffusion models are trained to accept a particular form of conditioning, most commonly text, and cannot be conditioned on other modalities without retraining. In this work, we propose a universal guidance algorithm that enables diffusion models to be controlled by arbitrary guidance modalities without the need to retrain any use-specific components. We show that our algorithm successfully generates quality images with guidance functions including segmentation, face recognition, object detection, style guidance and classifier signals.

In this paper, we propose a novel approach to conformal prediction for language models (LMs) in which we produce prediction sets with performance guarantees. LM responses are typically sampled from a predicted distribution over the large, combinatorial output space of language. Translating this to conformal prediction, we calibrate a stopping rule for sampling LM outputs that get added to a growing set of candidates until we are confident that the set covers at least one acceptable response. Since some samples may be low-quality, we also simultaneously calibrate a rejection rule for removing candidates from the output set to reduce noise. Similar to conformal prediction, we can prove that the final output set obeys certain desirable distribution-free guarantees. Within these sets of candidate responses, we also show that we can also identify subsets of individual components---such as phrases or sentences---that are each independently correct (e.g., that are not ``hallucinations''), again with guarantees. Our method can be applied to any LM API that supports sampling. Furthermore, we empirically demonstrate that we can achieve many desired coverage levels within a limited number of total samples when applying our method to multiple tasks in open-domain question answering, text summarization, and radiology report generation using different LM variants.

Inverse reinforcement learning (IRL) aims to infer an agent's *preferences* (represented as a reward function $R$) from their *behaviour* (represented as a policy $\pi$). To do this, we need a *behavioural model* of how $\pi$ relates to $R$. In the current literature, the most common behavioural models are *optimality*, *Boltzmann-rationality*, and *causal entropy maximisation*. However, the true relationship between a human's preferences and their behaviour is much more complex than any of these behavioural models. This means that the behavioural models are *misspecified*, which raises the concern that they may lead to systematic errors if applied to real data. In this paper, we analyse how sensitive the IRL problem is to misspecification of the behavioural model. Specifically, we provide necessary and sufficient conditions that completely characterise how the observed data may differ from the assumed behavioural model without incurring an error above a given threshold. In addition to this, we also characterise the conditions under which a behavioural model is robust to small perturbations of the observed policy, and we analyse how robust many behavioural models are to misspecification of their parameter values (such as e.g. the discount rate). Our analysis suggests that the IRL problem is highly sensitive to misspecification, in the sense that very mild misspecification can lead to very large errors in the inferred reward function.

Federated learning has emerged as a promising distributed learning paradigm that facilitates collaborative learning among multiple parties without transferring raw data. However, most existing federated learning studies focus on either horizontal or vertical data settings, where the data of different parties are assumed to be from the same feature or sample space. In practice, a common scenario is the hybrid data setting, where data from different parties may differ both in the features and samples. To address this, we propose HybridTree, a novel federated learning approach that enables federated tree learning on hybrid data. We observe the existence of consistent split rules in trees. With the help of these split rules, we theoretically show that the knowledge of parties can be incorporated into the lower layers of a tree. Based on our theoretical analysis, we propose a layer-level solution that does not need frequent communication traffic to train a tree. Our experiments demonstrate that HybridTree can achieve comparable accuracy to the centralized setting with low computational and communication overhead. HybridTree can achieve up to 8 times speedup compared with the other baselines.

Transductive node prediction has been a popular learning setting in Graph Neural Networks (GNNs). It has been widely observed that the shortage of information flow between the distant nodes and intra-batch nodes (for large-scale graphs) often hurt the generalization of GNNs which overwhelmingly adopt message-passing. Yet there is still no formal and direct theoretical results to quantitatively capture the underlying mechanism, despite the recent advance in both theoretical and empirical studies for GNN's generalization ability. In this paper, the $L$-hop interplay (i.e., message passing capability with training nodes) for a $L$-layer GNN is successfully incorporated in our derived PAC-Bayesian bound for GNNs in the semi-supervised transductive setting. In other words, we quantitatively show how the interplay between training and testing sets influence the generalization ability which also partly explains the effectiveness of some existing empirical methods for enhancing generalization. Based on this result, we further design a plug-and-play ***Graph** **G**lobal **W**orkspace* module for GNNs (InterpGNN-GW) to enhance the interplay, utilizing the key-value attention mechanism to summarize crucial nodes' embeddings into memory and broadcast the memory to all nodes, in contrast to the pairwise attention scheme in previous graph transformers. Extensive experiments on both small-scale and large-scale graph datasets validate the effectiveness of our theory and approaches.

Analyzing model performance in various unseen environments is a critical research problem in the machine learning community. To study this problem, it is important to construct a testbed with out-of-distribution test sets that have broad coverage of environmental discrepancies. However, existing testbeds typically either have a small number of domains or are synthesized by image corruptions, hindering algorithm design that demonstrates real-world effectiveness. In this paper, we introduce CIFAR-10-Warehouse, consisting of 180 datasets collected by prompting image search engines and diffusion models in various ways. Generally sized between 300 and 8,000 images, the datasets contain natural images, cartoons, certain colors, or objects that do not naturally appear. With CIFAR-10-W, we aim to enhance the evaluation and deepen the understanding of two generalization tasks: domain generalization and model accuracy prediction in various out-of-distribution environments. We conduct extensive benchmarking and comparison experiments and show that CIFAR-10-W offers new and interesting insights inherent to these tasks. We also discuss other fields that would benefit from CIFAR-10-W. Data and code are available at https://sites.google.com/view/CIFAR-10-warehouse/.

Understanding and developing optimal representations has long been foundational in machine learning (ML). While disentangled representations have shown promise in generative modeling and representation learning, their downstream usefulness remains debated. Recent studies re-defined disentanglement through a formal connection to symmetries, emphasizing the ability to reduce latent domains (i.e., ML problem spaces) and consequently enhance data efficiency and generative capabilities. However, from an information theory viewpoint, assigning a complex attribute (i.e., features) to a specific latent variable may be infeasible, limiting the applicability of disentangled representations to simple datasets. In this work, we introduce $\alpha$-TCVAE, a variational autoencoder optimized using a novel total correlation (TC) lower bound that maximizes disentanglement and latent variables informativeness. The proposed TC bound is grounded in information theory constructs, generalizes the $\beta$-VAE lower bound, and can be reduced to a convex combination of the known variational information bottleneck (VIB) and conditional entropy bottleneck (CEB) terms. Moreover, we present quantitative analyses and correlation studies that support the idea that smaller latent domains (i.e., disentangled representations) lead to better generative capabilities and diversity. Additionally, we perform downstream task experiments from both representation and RL domains to assess our questions from a broader ML perspective. Our results demonstrate that $\alpha$-TCVAE consistently learns more disentangled representations than baselines and generates more diverse observations without sacrificing visual fidelity. Notably, $\alpha$-TCVAE exhibits marked improvements on MPI3D-Real, the most realistic disentangled dataset in our study, confirming its ability to represent complex datasets when maximizing the informativeness of individual variables. Finally, testing the proposed model off-the-shelf on a state-of-the-art model-based RL agent, Director, significantly shows $\alpha$-TCVAE downstream usefulness on the loconav Ant Maze task. Implementation available at https://github.com/Cmeo97/Alpha-TCVAE

The advent of large pre-trained models has brought about a paradigm shift in both visual representation learning and natural language processing. However, clustering unlabeled images, as a fundamental and classic machine learning problem, still lacks an effective solution, particularly for large-scale datasets. In this paper, we propose a novel image clustering pipeline that leverages the powerful feature representation of large pre-trained models such as CLIP and cluster images effectively and efficiently at scale. We first developed a novel algorithm to estimate the number of clusters in a given dataset. We then show that the pre-trained features are significantly more structured by further optimizing the rate reduction objective. The resulting features may significantly improve the clustering accuracy, e.g., from 57\% to 66\% on ImageNet-1k. Furthermore, by leveraging CLIP's multimodality bridge between image and text, we develop a simple yet effective self-labeling algorithm that produces meaningful text labels for the clusters. Through extensive experiments, we show that our pipeline works well on standard datasets such as CIFAR-10, CIFAR-100, and ImageNet-1k. It also extends to datasets without predefined labels, such as LAION-Aesthetics and WikiArts.

Pre-trained large language models (LLMs) can understand and align with human instructions by supervised fine-tuning (SFT). It is commonly believed that diverse and complex SFT data are of the essence to enable good instruction-following abilities. However, such diversity and complexity are obscure and lack quantitative analyses. In this work, we propose InsTag, an open-set instruction tagging method, to identify semantics and intentions of human instructions by tags that provide access to definitions and quantified analyses of instruction diversity and complexity. We obtain 6.6K fine-grained tags to describe instructions from popular open-sourced SFT datasets comprehensively. We find that the abilities of aligned LLMs benefit from more diverse and complex instructions in SFT data. Based on this observation, we propose a data sampling procedure based on InsTag, and select 6K diverse and complex samples from open-source datasets for SFT. The resulting models, TagLM, outperform open-source models based on considerably larger SFT data evaluated by MT-Bench, echoing the importance of instruction diversity and complexity and the effectiveness of InsTag. InsTag has robust potential to be extended to more applications beyond the data selection as it provides an effective way to analyze the distribution of instructions.

Periodic patterns are a fundamental characteristic of time series in natural world, with significant implications for a range of disciplines, from economics to cloud systems. However, the current literature on periodicity detection faces two key challenges: limited robustness in real-world scenarios and a lack of memory to leverage previously observed time series to accelerate and improve inference on new data. To overcome these obstacles, this paper presents AmortizedPeriod, an innovative approach to periodicity identification based on amortized variational inference that integrates Bayesian statistics and deep learning. Through the Bayesian generative process, our method flexibly captures the dependencies of the periods, trends, noise, and outliers in time series, while also considering missing data and irregular periods in a robust manner. In addition, it utilizes the evidence lower bound of the log-likelihood of the observed time series as the loss function to train a deep attention inference network, facilitating knowledge transfer from the seen time series (and their labels) to unseen ones. Experimental results show that AmortizedPeriod surpasses the state-of-the-art methods by a large margin of 28.5% on average in terms of micro $F_1$-score, with at least 55% less inference time.

Posterior sampling, i.e., exponential mechanism to sample from the posterior distribution, provides $\varepsilon$-pure differential privacy (DP) guarantees and does not suffer from potentially unbounded privacy breach introduced by $(\varepsilon,\delta)$-approximate DP. In practice, however, one needs to apply approximate sampling methods such as Markov chain Monte Carlo (MCMC), thus re-introducing the unappealing $\delta$-approximation error into the privacy guarantees. To bridge this gap, we propose the Approximate SAample Perturbation (abbr. ASAP) algorithm which perturbs an MCMC sample with noise proportional to its Wasserstein-infinity ($W_\infty$) distance from a reference distribution that satisfies pure DP or pure Gaussian DP (i.e., $\delta=0$). We then leverage a Metropolis-Hastings algorithm to generate the sample and prove that the algorithm converges in W$_\infty$ distance. We show that by combining our new techniques with a localization step, we obtain the first nearly linear-time algorithm that achieves the optimal rates in the DP-ERM problem with strongly convex and smooth losses.

Large text-to-video models trained on internet-scale data have demonstrated exceptional capabilities in generating high-fidelity videos from arbitrary textual descriptions. However, similar to proprietary language models, large text-to-video models are often black boxes whose weight parameters are not publicly available, posing a significant challenge to adapting these models to specific domains such as robotics, animation, and personalized stylization. Inspired by how a large language model can be prompted to perform new tasks without access to the model weights, we investigate how to adapt a black-box pretrained text-to-video model to a variety of downstream domains without weight access to the pretrained model. In answering this question, we propose \emph{\methodname}, which leverages the score function of a large pretrained video diffusion model as a probabilistic prior to guide the generation of a task-specific small video model. Our experiments show that, by incorporating broad knowledge and fidelity of the pretrained model probabilistically, a small model with as few as 1.25% parameters of the pretrained model can generate high-quality yet domain-specific videos for a variety of downstream domains such as animation, egocentric modeling, and modeling of simulated and real-world robotics data. As large text-to-video models starting to become available as a service similar to large language models, we advocate for private institutions to expose scores of video diffusion models as outputs in addition to generated videos to allow flexible adaptation of large pretrained text-to-video models by the general public.

As of September 2023, ChatGPT correctly answers “what is 7+8” with 15, but when asked “7+8=15, True or False” it responds with “False”. This inconsistency between generating and validating an answer is prevalent in language models (LMs) and erodes trust. In this paper, we propose a framework for measuring the consistency between generation and validation (which we call generator-validator consistency, or GV-consistency), finding that even GPT-4 (0613), a state-of-the-art LM, is GV-consistent only 76% of the time. To improve the consistency of LMs, we propose to finetune on the filtered generator and validator responses that are GV-consistent, and call this approach consistency fine-tuning. We find that this approach improves GV-consistency of Alpaca-30B from 60% to 93%, and the improvement extrapolates to unseen tasks and domains (e.g., GV-consistency for positive style transfers extrapolates to unseen styles like humor). In addition to improving consistency, consistency fine-tuning improves both generator quality and validator accuracy without using any labeled data. Evaluated across 6 tasks, including math questions, knowledge-intensive QA, and instruction following, our method improves generator quality by an average of 16% and validator accuracy by an average of 6.3% across all tasks.

Language models generate responses by producing a series of tokens in immediate succession: the $(K+1)^{\rm th}$ token is an outcome of manipulating $K$ hidden vectors per layer, one vector per preceding token. What if instead we were to let the model manipulate say, $K+10$ hidden vectors, before it outputs the $(K+1)^{\rm th}$ token? We operationalize this idea by performing training and inference on language models with a (learnable) $\textit{pause}$ token, a sequence of which is appended to the input prefix. We then delay extracting the model's outputs until the last pause token is seen, thereby allowing the model to process extra computation before committing to an answer. We empirically evaluate $\textit{pause-training}$ on decoder-only models of 1B and 130M parameters with causal pretraining on C4, and on downstream tasks covering reasoning, question-answering, general understanding and fact recall. Our main finding is that inference-time delays show gains when the model is both pre-trained and finetuned with delays. For the 1B model, we witness gains on 8 of 9 tasks, most prominently, a gain of $18\\%$ EM score on the QA task of SQuAD, $8\\%$ on CommonSenseQA and $1\\%$ accuracy on the reasoning task of GSM8k. Our work raises a range of conceptual and practical future research questions on making delayed next-token prediction a widely applicable new paradigm.

Following the success of transformer-based methods across various machine learning applications, their adoption for healthcare predictive tasks using electronic health records (EHRs) has also expanded extensively. Similarly, graph-based methods have been shown to be very effective in capturing inherent graph-type relationships in EHRs, leading to improved downstream performance. Although integrating these two families of approaches seems like a natural next step, in practice, creating such a design is challenging and has not been done. This is partly due to known EHR problems, such as high sparsity, making extracting meaningful temporal representations of medical visits challenging. In this study, we propose GT-BEHRT, a new approach that leverages temporal visit embeddings extracted from a graph transformer and uses a BERT-based model to obtain more robust patient representations, especially on longer EHR sequences. The graph-based approach allows GT-BEHRT to implicitly capture the intrinsic graphical relationships between medical observations, while the BERT model extracts the temporal relationships between visits, loosely mimicking the clinicians' decision-making process. As part of our method, we also present a two-step pre-training strategy for learning better graphical and temporal representations. Our proposed method achieves state-of-the-art performance in a variety of standard medical predictive tasks, demonstrating the versatility of our approach.

Recent advances in image deraining have focused on training powerful models on mixed multiple datasets comprising diverse rain types and backgrounds. However, this approach tends to overlook the inherent differences among rainy images, leading to suboptimal results. To overcome this limitation, we focus on addressing various rainy images by delving into meaningful representations that encapsulate both the rain and background components. Leveraging these representations as instructive guidance, we put forth a Context-based Instance-level Modulation (CoI-M) mechanism adept at efficiently modulating CNN- or Transformer-based models. Furthermore, we devise a rain-/detail-aware contrastive learning strategy to help extract joint rain-/detail-aware representations. By integrating CoI-M with the rain-/detail-aware Contrastive learning, we develop [CoIC](https://github.com/Schizophreni/CoIC), an innovative and potent algorithm tailored for training models on mixed datasets. Moreover, CoIC offers insight into modeling relationships of datasets, quantitatively assessing the impact of rain and details on restoration, and unveiling distinct behaviors of models given diverse inputs. Extensive experiments validate the efficacy of CoIC in boosting the deraining ability of CNN and Transformer models. CoIC also enhances the deraining prowess remarkably when real-world dataset is included.

Learning surfaces from neural radiance field (NeRF) became a rising topic in Multi-View Stereo (MVS). Recent Signed Distance Function (SDF)-based methods demonstrated their ability to reconstruct exact 3D shapes of Lambertian scenes. However, their results on reflective scenes are unsatisfactory due to the entanglement of specular radiance and complicated geometry. To address the challenges, we propose a Gaussian-based representation of normals in SDF fields. Supervised by polarization priors, this representation guides the learning of geometry behind the specular reflection and capture more details than existing methods. Moreover, we propose a reweighting strategy in optimization process to alleviate the noise issue of polarization priors. To validate the effectiveness of our design, we capture polarimetric information and ground truth meshes in additional reflective scenes with various geometry. We also evaluated our framework on PANDORA dataset. Both qualitative and quantitative comparisons prove our method outperforms existing neural 3D reconstruction methods in reflective scenes by a large margin.

The recent progress in large language models (LLMs), especially the invention of chain-of-thought prompting, has made it possible to automatically answer questions by stepwise reasoning. However, when faced with more complicated problems that require non-linear thinking, even the strongest LLMs make mistakes. To address this, we explore whether LLMs are able to recognize errors in their own step-by-step reasoning, without resorting to external resources. To this end, we propose SelfCheck, a general-purpose zero-shot verification schema for recognizing such errors. We then use the results of these checks to improve question-answering performance by conducting weighted voting on multiple solutions to the question. We test SelfCheck on math- and logic-based datasets and find that it successfully recognizes errors and, in turn, increases final answer accuracies.