ICLR 2024 Papers

We study the problem of classification with a reject option for a fixed predictor, crucial to natural language processing. We introduce a new problem formulation for this scenario, and an algorithm minimizing a new surrogate loss function. We provide a complete theoretical analysis of the surrogate loss function with a strong $H$-consistency guarantee. For evaluation, we choose the \textit{decontextualization} task, and provide a manually-labelled dataset of $2\mathord,000$ examples. Our algorithm significantly outperforms the baselines considered, with a $\sim 25$% improvement in coverage when halving the error rate, which is only $\sim 3$% away from the theoretical limit.

Energy-based models (EBMs) are known in the Machine Learning community for decades. Since the seminal works devoted to EBMs dating back to the noughties, there have been a lot of efficient methods which solve the generative modelling problem by means of energy potentials (unnormalized likelihood functions). In contrast, the realm of Optimal Transport (OT) and, in particular, neural OT solvers is much less explored and limited by few recent works (excluding WGAN-based approaches which utilize OT as a loss function and do not model OT maps themselves). In our work, we bridge the gap between EBMs and Entropy-regularized OT. We present a novel methodology which allows utilizing the recent developments and technical improvements of the former in order to enrich the latter. From the theoretical perspective, we prove generalization bounds for our technique. In practice, we validate its applicability in toy 2D and image domains. To showcase the scalability, we empower our method with a pre-trained StyleGAN and apply it to high-res AFHQ $512\times512$ unpaired I2I translation. For simplicity, we choose simple short- and long-run EBMs as a backbone of our Energy-guided Entropic OT approach, leaving the application of more sophisticated EBMs for future research. Our code is available at: https://github.com/PetrMokrov/Energy-guided-Entropic-OT

Generalization to out-of-distribution (OOD) data is a critical challenge in machine learning. Ensemble-based methods, like weight space ensembles that interpolate model parameters, have been shown to achieve superior OOD performance. However, the underlying mechanism for their effectiveness remains unclear. In this study, we closely examine WiSE-FT, a popular weight space ensemble method that interpolates between a pre-trained and a fine-tuned model. We observe an unexpected ``FalseFalseTrue" phenomenon, in which WiSE-FT successfully corrects many cases where each individual model makes incorrect predictions, which contributes significantly to its OOD effectiveness. To gain further insights, we conduct theoretical analysis in a multi-class setting with a large number of spurious features. Our analysis predicts the above phenomenon and it further shows that ensemble-based models reduce prediction errors in the OOD settings by utilizing a more diverse set of spurious features. Contrary to the conventional wisdom that focuses on learning invariant features for better OOD performance, our findings suggest that incorporating a large number of diverse spurious features weakens their individual contributions, leading to improved overall OOD generalization performance. Additionally, our findings provide the first explanation for the mysterious phenomenon of weight space ensembles outperforming output space ensembles in OOD. Empirically we demonstrate the effectiveness of utilizing diverse spurious features on a MultiColorMNIST dataset, and our experimental results are consistent with the theoretical analysis. Building upon the new theoretical insights into the efficacy of ensemble methods, we further identify an issue of WiSE-FT caused by the overconfidence of fine-tuned models in OOD situations. This overconfidence magnifies the fine-tuned model's incorrect prediction, leading to deteriorated OOD ensemble performance. To remedy this problem, we propose a novel method called BAlaNced averaGing (BANG) to mitigate the overconfidence problem, which significantly enhances the OOD performance of WiSE-FT.

In the pursuit of reducing the number of trainable parameters in deep transformer networks, we employ Reinforcement Learning to dynamically select layers during training and tie them together. Every few iterations, the RL agent is asked whether to train each layer $i$ independently or to copy the weights of a previous layer $j<i$. This facilitates weight sharing, reduces the number of trainable parameters, and also serves as an effective regularization technique. Experimental evaluations validate that our model modestly outperforms the baseline transformer model with regard to perplexity and drastically reduces the number of trainable parameters. In particular, the memory consumption during training is up to one order of magnitude less than the conventional training method.

With the rising tide of large language models (LLMs), there has been a growing interest in developing general-purpose instruction-following models, e.g., ChatGPT. To this end, we present LLaMA-Adapter, a lightweight adaption method for efficient instruction tuning of LLaMA. Using 52K self-instruct demonstrations, LLaMA-Adapter only introduces 1.2M learnable parameters upon the frozen LLaMA 7B model, and costs less than one hour for fine-tuning. Specifically, a zero-initialized attention mechanism is proposed. It adopts a learnable zero gating to adaptively inject the instructional cues into LLaMA within self-attention layers, contributing to a stable training process and superior final performance. In this way, LLaMA-Adapter can generate high-quality responses to diverse language instructions, comparable to Alpaca with fully fine-tuned 7B parameters. Besides language commands, by incorporating an image encoder, our approach can be simply extended to a multi-modal LLM for image-conditioned instruction following, which achieves superior multi-modal reasoning capacity on several popular benchmarks (MME, MMBench, LVLM-eHub). Furthermore, we also verify the proposed zero-initialized attention mechanism for fine-tuning other pre-trained models (ViT, RoBERTa, CLIP) on traditional vision and language tasks, demonstrating the effectiveness and generalizability of our approach. Code and models are released at https://github.com/OpenGVLab/LLaMA-Adapter.

We consider cross-silo federated linear contextual bandit (LCB) problem under differential privacy, where multiple silos interact with their respective local users and communicate via a central server to realize collaboration without sacrificing each user's privacy. We identify three issues in the state-of-the-art~\citep{dubey2020differentially}: (i) failure of claimed privacy protection, (ii) incorrect regret bound due to noise miscalculation and (iii) ungrounded communication cost. To resolve these issues, we take a two-step approach. First, we design an algorithmic framework consisting of a generic federated LCB algorithm and flexible privacy protocols. Then, leveraging the proposed framework, we study federated LCBs under two different privacy constraints. We first establish privacy and regret guarantees under silo-level local differential privacy, which fix the issues present in state-of-the-art algorithm. To further improve the regret performance, we next consider shuffle model of differential privacy, under which we show that our algorithm can achieve nearly ``optimal'' regret without a trusted server. We accomplish this via two different schemes -- one relies on a new result on privacy amplification via shuffling for DP mechanisms and another one leverages the integration of a shuffle protocol for vector sum into the tree-based mechanism, both of which might be of independent interest. Finally, we support our theoretical results with numerical evaluations over contextual bandit instances generated from both synthetic and real-life data.

Most recent work in goal oriented visual navigation resorts to large-scale machine learning in simulated environments. The main challenge lies in learning compact representations generalizable to unseen environments and in learning high-capacity perception modules capable of reasoning on high-dimensional input. The latter is particularly difficult when the goal is not given as a category ("ObjectNav") but as an exemplar image ("ImageNav"), as the perception module needs to learn a comparison strategy requiring to solve an underlying visual correspondence problem. This has been shown to be difficult from reward alone or with standard auxiliary tasks. We address this problem through a sequence of two pretext tasks, which serve as a prior for what we argue is one of the main bottleneck in perception, extremely wide-baseline relative pose estimation and visibility prediction in complex scenes. The first pretext task, cross-view completion is a proxy for the underlying visual correspondence problem, while the second task addresses goal detection and finding directly. We propose a new dual encoder with a large-capacity binocular ViT model and show that correspondence solutions naturally emerge from the training signals. Experiments show significant improvements and SOTA performance on the two benchmarks, ImageNav and the Instance-ImageNav variant, where camera intrinsics and height differ between observation and goal.

Congestion is a common failure mode of markets, where consumers compete inefficiently on the same subset of goods (e.g., chasing the same small set of properties on a vacation rental platform). The typical economic story is that prices decongest by balancing supply and demand. But in modern online marketplaces, prices are typically set in a decentralized way by sellers, and the information about items is inevitably partial. The power of a platform is limited to controlling *representations*---the subset of information about items presented by default to users. This motivates the present study of *decongestion by representation*, where a platform seeks to learn representations that reduce congestion and thus improve social welfare. The technical challenge is twofold: relying only on revealed preferences from the choices of consumers, rather than true preferences; and the combinatorial problem associated with representations that determine the features to reveal in the default view. We tackle both challenges by proposing a *differentiable proxy of welfare* that can be trained end-to-end on consumer choice data. We develop sufficient conditions for when decongestion promotes welfare, and present the results of extensive experiments on both synthetic and real data that demonstrate the utility of our approach.

Recent developments in neural architecture search (NAS) emphasize the significance of considering robust architectures against malicious data. However, there is a notable absence of benchmark evaluations and theoretical guarantees for searching these robust architectures, especially when adversarial training is considered. In this work, we aim to address these two challenges, making twofold contributions. First, we release a comprehensive data set that encompasses both clean accuracy and robust accuracy for a vast array of adversarially trained networks from the NAS-Bench-201 search space on image datasets. Then, leveraging the neural tangent kernel (NTK) tool from deep learning theory, we establish a generalization theory for searching architecture in terms of clean accuracy and robust accuracy under multi-objective adversarial training. We firmly believe that our benchmark and theoretical insights will significantly benefit the NAS community through reliable reproducibility, efficient assessment, and theoretical foundation, particularly in the pursuit of robust architectures.

The advent of Large Language Models (LLMs) has made a transformative impact. However, the potential that LLMs such as ChatGPT can be exploited to generate misinformation has posed a serious concern to online safety and public trust. A fundamental research question is: will LLM-generated misinformation cause more harm than human-written misinformation? We propose to tackle this question from the perspective of detection difficulty. We first build a taxonomy of LLM-generated misinformation. Then we categorize and validate the potential real-world methods for generating misinformation with LLMs. Then, through extensive empirical investigation, we discover that LLM-generated misinformation can be harder to detect for humans and detectors compared to human-written misinformation with the same semantics, which suggests it can have more deceptive styles and potentially cause more harm. We also discuss the implications of our discovery on combating misinformation in the age of LLMs and the countermeasures.

Diffusion-based generative modeling has been achieving state-of-the-art results on various generation tasks. Most diffusion models, however, are limited to a single-generation modeling. Can we generalize diffusion models with the ability of multi-modal generative training for more generalizable modeling? In this paper, we propose a principled way to define a diffusion model by constructing a unified multi-modal diffusion model in a common {\em diffusion space}. We define the forward diffusion process to be driven by an information aggregation from multiple types of task-data, {\it e.g.}, images for a generation task and labels for a classification task. In the reverse process, we enforce information sharing by parameterizing a shared backbone denoising network with additional modality-specific decoder heads. Such a structure can simultaneously learn to generate different types of multi-modal data with a multi-task loss, which is derived from a new multi-modal variational lower bound that generalizes the standard diffusion model. We propose several multi-modal generation settings to verify our framework, including image transition, masked-image training, joint image-label and joint image-representation generative modeling. Extensive experimental results on ImageNet indicate the effectiveness of our framework for various multi-modal generative modeling, which we believe is an important research direction worthy of more future explorations.

Code Large Language Models (Code LLMs) are being increasingly employed in real-life applications, so evaluating them is critical. While the conventional accuracy evaluates the performance of Code LLMs on a set of individual tasks, their self-consistency across different tasks is overlooked. Intuitively, a trustworthy model should be self-consistent when generating natural language specifications for its own code and generating code for its own specifications. Failure to preserve self-consistency reveals a lack of understanding of the shared semantics underlying natural language and programming language, and therefore undermines the trustworthiness of a model. In this paper, we first formally define the self-consistency of Code LLMs and then design a framework, IdentityChain, which effectively and efficiently evaluates the self-consistency and conventional accuracy of a model at the same time. We study eleven Code LLMs and show that they fail to preserve self-consistency, which is indeed a distinct aspect from conventional accuracy. Furthermore, we show that IdentityChain can be used as a model debugging tool to expose weaknesses of Code LLMs by demonstrating three major weaknesses that we identify in current models using IdentityChain. Our code is available at https://github.com/marcusm117/IdentityChain.

We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.

Generating 3D graphs of symmetry-group equivariance is of intriguing potential in broad applications from machine vision to molecular discovery. Emerging approaches adopt diffusion generative models (DGMs) with proper re-engineering to capture 3D graph distributions. In this paper, we raise an orthogonal and fundamental question of in what (latent) space we should diffuse 3D graphs. ❶ We motivate the study with theoretical analysis showing that the performance bound of 3D graph diffusion can be improved in a latent space versus the original space, provided that the latent space is of (i) low dimensionality yet (ii) high quality (i.e., low reconstruction error) and DGMs have (iii) symmetry preservation as an inductive bias. ❷ Guided by the theoretical guidelines, we propose to perform 3D graph diffusion in a low-dimensional latent space, which is learned through cascaded 2D–3D graph autoencoders for low-error reconstruction and symmetry-group invariance. The overall pipeline is dubbed latent 3D graph diffusion. ❸ Motivated by applications in molecular discovery, we further extend latent 3D graph diffusion to conditional generation given SE(3)-invariant attributes or equivariant 3D objects. ❹ We also demonstrate empirically that out-of-distribution conditional generation can be further improved by regularizing the latent space via graph self-supervised learning. We validate through comprehensive experiments that our method generates 3D molecules of higher validity / drug-likeliness and comparable or better conformations / energetics, while being an order of magnitude faster in training. Codes are released at https://github.com/Shen-Lab/LDM-3DG.

The advent of instruction-tuned language models that convincingly mimic human writing poses a significant risk of abuse. For example, such models could be used for plagiarism, disinformation, spam, or phishing. However, such abuse may be counteracted with the ability to detect whether a piece of text was composed by a language model rather than a human. Some previous approaches to this problem have relied on supervised methods trained on corpora of confirmed human and machine-written documents. Unfortunately, model under-specification poses an unavoidable challenge for such detectors, making them brittle in the face of data shifts, such as the release of further language models producing still more fluent text than the models used to train the detectors. Other previous approaches require access to the models that generated the text to be detected at inference or detection time, which is often impractical. In light of these challenge, we pursue a fundamentally different approach not relying on samples from language models of concern at training time. Instead, we propose to leverage representations of writing style estimated from human-authored text. Indeed, we find that features effective at distinguishing among human authors are also effective at distinguishing human from machine authors, including state of the art large language models like Llama 2, ChatGPT, and GPT-4. Furthermore, given handfuls of examples composed by each of several specific language models of interest, our approach affords the ability to predict which model specifically generated a given document.

The manifold hypothesis posits that high-dimensional data often lies on a lower-dimensional manifold and that utilizing this manifold as the target space yields more efficient representations. While numerous traditional manifold-based techniques exist for dimensionality reduction, their application in self-supervised learning has witnessed slow progress. The recent MSimCLR method combines manifold encoding with SimCLR but requires extremely low target encoding dimensions to outperform SimCLR, limiting its applicability. This paper introduces a novel learning paradigm using an unbalanced atlas (UA), capable of surpassing state-of-the-art self-supervised learning approaches. We investigated and engineered the DeepInfomax with an unbalanced atlas (DIM-UA) method by adapting the Spatiotemporal DeepInfomax (ST-DIM) framework to align with our proposed UA paradigm. The efficacy of DIM-UA is demonstrated through training and evaluation on the Atari Annotated RAM Interface (AtariARI) benchmark, a modified version of the Atari 2600 framework that produces annotated image samples for representation learning. The UA paradigm improves existing algorithms significantly as the number of target encoding dimensions grows. For instance, the mean F1 score averaged over categories of DIM-UA is~75% compared to ~70% of ST-DIM when using 16384 hidden units.

In this paper, we revisit the problem of sparse linear regression in the local differential privacy (LDP) model. Existing research in the non-interactive and sequentially local models has focused on obtaining the lower bounds for the case where the underlying parameter is $1$-sparse, and extending such bounds to the more general $k$-sparse case has proven to be challenging. Moreover, it is unclear whether efficient non-interactive LDP (NLDP) algorithms exist. To address these issues, we first consider the problem in the $\epsilon$ non-interactive LDP model and provide a lower bound of $\Omega(\frac{\sqrt{dk\log d}}{\sqrt{n}\epsilon})$ on the $\ell_2$-norm estimation error for sub-Gaussian data, where $n$ is the sample size and $d$ is the dimension of the space. We propose an innovative NLDP algorithm, the very first of its kind for the problem. As a remarkable outcome, this algorithm also yields a novel and highly efficient estimator as a valuable by-product. Our algorithm achieves an upper bound of $\tilde{O}({\frac{d\sqrt{k}}{\sqrt{n}\epsilon}})$ for the estimation error when the data is sub-Gaussian, which can be further improved by a factor of $O(\sqrt{d})$ if the server has additional public but unlabeled data. For the sequentially interactive LDP model, we show a similar lower bound of $\Omega({\frac{\sqrt{dk}}{\sqrt{n}\epsilon}})$. As for the upper bound, we rectify a previous method and show that it is possible to achieve a bound of $\tilde{O}(\frac{k\sqrt{d}}{\sqrt{n}\epsilon})$. Our findings reveal fundamental differences between the non-private case, central DP model, and local DP model in the sparse linear regression problem.

The rising rates of diabetes necessitate innovative methods for its management. Continuous glucose monitors (CGM) are small medical devices that measure blood glucose levels at regular intervals providing insights into daily patterns of glucose variation. Forecasting of glucose trajectories based on CGM data holds the potential to substantially improve diabetes management, by both refining artificial pancreas systems and enabling individuals to make adjustments based on predictions to maintain optimal glycemic range. Despite numerous methods proposed for CGM-based glucose trajectory prediction, these methods are typically evaluated on small, private datasets, impeding reproducibility, further research, and practical adoption. The absence of standardized prediction tasks and systematic comparisons between methods has led to uncoordinated research efforts, obstructing the identification of optimal tools for tackling specific challenges. As a result, only a limited number of prediction methods have been implemented in clinical practice. To address these challenges, we present a comprehensive resource that provides (1) a consolidated repository of curated publicly available CGM datasets to foster reproducibility and accessibility; (2) a standardized task list to unify research objectives and facilitate coordinated efforts; (3) a set of benchmark models with established baseline performance, enabling the research community to objectively gauge new methods' efficacy; and (4) a detailed analysis of performance-influencing factors for model development. We anticipate these resources to propel collaborative research endeavors in the critical domain of CGM-based glucose predictions. Our code is available online at github.com/IrinaStatsLab/GlucoBench.

We present chain-of-knowledge (CoK), a novel framework that augments large language models (LLMs) by dynamically incorporating grounding information from heterogeneous sources. It results in more factual rationales and reduced hallucination in generation. Specifically, CoK consists of three stages: reasoning preparation, dynamic knowledge adapting, and answer consolidation. Given a knowledge-intensive question, CoK first prepares several preliminary rationales and answers while identifying the relevant knowledge domains. If there is no majority consensus among the answers from samples, CoK corrects the rationales step by step by adapting knowledge from the identified domains. These corrected rationales can plausibly serve as a better foundation for the final answer consolidation. Unlike prior studies that primarily use unstructured data, CoK also leverages structured knowledge sources such as Wikidata and tables that provide more reliable factual information. To access both unstructured and structured knowledge sources in the dynamic knowledge adapting stage, we propose an adaptive query generator that allows the generation of queries for various types of query languages, including SPARQL, SQL, and natural sentences. Moreover, to minimize error propagation between rationales, CoK corrects the rationales progressively using preceding corrected rationales to generate and correct subsequent rationales. Extensive experiments show that CoK consistently improves the performance of LLMs on knowledge-intensive tasks across different domains.