ICLR 2024 Papers

Masked Language Modeling (MLM) has been one of the most prominent approaches for pretraining bidirectional text encoders due to its simplicity and effectiveness. One notable concern about MLM is that the special $\texttt{[MASK]}$ symbol causes a discrepancy between pretraining data and downstream data as it is present only in pretraining but not in fine-tuning. In this work, we offer a new perspective on the consequence of such a discrepancy: We demonstrate empirically and theoretically that MLM pretraining allocates some model dimensions exclusively for representing $\texttt{[MASK]}$ tokens, resulting in a representation deficiency for real tokens and limiting the pretrained model's expressiveness when it is adapted to downstream data without $\texttt{[MASK]}$ tokens. Motivated by the identified issue, we propose MAE-LM, which pretrains the Masked Autoencoder architecture with MLM where $\texttt{[MASK]}$ tokens are excluded from the encoder. Empirically, we show that MAE-LM improves the utilization of model dimensions for real token representations, and MAE-LM consistently outperforms MLM-pretrained models on the GLUE and SQuAD benchmarks.

We study the ability of state-of-the art models to answer constraint satisfaction queries for information retrieval (e.g., “a list of ice cream shops in San Diego”). In the past, such queries were considered as tasks that could only be solved via web-search or knowledge bases. More recently, large language models (LLMs) have demonstrated initial emergent abilities in this task. However, many current retrieval benchmarks are either saturated or do not measure constraint satisfaction. Motivated by rising concerns around factual incorrectness and hallucinations of LLMs, we present KITAB, a new dataset for measuring constraint satisfaction abilities of language models. KITAB consists of book-related data across more than 600 authors and 13,000 queries, and also offers an associated dynamic data collection and constraint verification approach for acquiring similar test data for other authors. Our extended experiments on GPT4 and GPT3.5 characterize and decouple common failure modes across dimensions such as information popularity, constraint types, and context availability. Results show that in the absence of context, models exhibit severe limitations as measured by irrelevant information, factual errors, and incompleteness, many of which exacerbate as information popularity decreases. While context availability mitigates irrelevant information, it is not helpful for satisfying constraints, identifying fundamental barriers to constraint satisfaction. We open source our contributions to foster further research on improving constraint satisfaction abilities of future models.

Relying on prior knowledge accumulated from related tasks, meta-learning offers a powerful approach to learning a novel task from a limited number of training data. Recent approaches use a family of prior probability density functions or recurrent neural network models, whose parameters can be optimized by utilizing labeled data from the observed tasks. While these approaches have appealing empirical performance, expressiveness of their prior is relatively low, which limits generalization and interpretation of meta-learning. Aiming at expressive yet meaningful priors, this contribution puts forth a novel prior representation model that leverages the notion of algorithm unrolling. The key idea is to unroll the proximal gradient descent steps, where learnable piecewise linear functions are developed to approximate the desired proximal operators within *tight* theoretical error bounds established for both smooth and non-smooth proximal functions. The resultant multi-block neural network not only broadens the scope of learnable priors, but also enhances interpretability from an optimization viewpoint. Numerical tests conducted on few-shot learning datasets demonstrate markedly improved performance with flexible, visualizable, and understandable priors.

Contrastive image-text models such as CLIP form the building blocks of many state-of-the-art systems. While they excel at recognizing common generic concepts, they still struggle on fine-grained entities which are rare, or even absent from the pre-training dataset. Hence, a key ingredient to their success has been the use of large-scale curated pre-training data aiming at expanding the set of concepts that they can memorize during the pre-training stage. In this work, we explore an alternative to encoding fine-grained knowledge directly into the model's parameters: we instead train the model to retrieve this knowledge from an external memory. Specifically, we propose to equip existing vision-text models with the ability to refine their embedding with cross-modal retrieved information from a memory at inference time, which greatly improves their zero-shot predictions. Remarkably, we show that this can be done with a light-weight, single-layer, fusion transformer on top of a frozen CLIP. Our experiments validate that our retrieval-enhanced contrastive (RECO) training improves CLIP performance substantially on several challenging fine-grained tasks: for example +10.9 on Stanford Cars, +10.2 on CUB-2011 and +7.3 on the recent OVEN benchmark, where we even outperform the fine-tuned models on unseen classes.

Text-to-image diffusion models have demonstrated an unparalleled ability to generate high-quality, diverse images from a textual prompt. However, the internal representations learned by these models remain an enigma. In this work, we present Conceptor, a novel method to interpret the internal representation of a textual concept by a diffusion model. This interpretation is obtained by decomposing the concept into a small set of human-interpretable textual elements. Applied over the state-of-the-art Stable Diffusion model, Conceptor reveals non-trivial structures in the representations of concepts. For example, we find surprising visual connections between concepts, that transcend their textual semantics. We additionally discover concepts that rely on mixtures of exemplars, biases, renowned artistic styles, or a simultaneous fusion of multiple meanings of the concept. Through a large battery of experiments, we demonstrate Conceptor's ability to provide meaningful, robust, and faithful decompositions for a wide variety of abstract, concrete, and complex textual concepts, while allowing to naturally connect each decomposition element to its corresponding visual impact on the generated images.

Convex relaxations are a key component of training and certifying provably safe neural networks. However, despite substantial progress, a wide and poorly understood accuracy gap to standard networks remains, raising the question of whether this is due to fundamental limitations of convex relaxations. Initial work investigating this question focused on the simple and widely used IBP relaxation. It revealed that some univariate, convex, continuous piecewise linear (CPWL) functions cannot be encoded by any ReLU network such that its IBP-analysis is precise. To explore whether this limitation is shared by more advanced convex relaxations, we conduct the first in-depth study on the expressive power of ReLU networks across all commonly used convex relaxations. We show that: (i) more advanced relaxations allow a larger class of univariate functions to be expressed as precisely analyzable ReLU networks, (ii) more precise relaxations can allow exponentially larger solution spaces of ReLU networks encoding the same functions, and (iii) even using the most precise single-neuron relaxations, it is impossible to construct precisely analyzable ReLU networks that express multivariate, convex, monotone CPWL functions.

Bayesian filtering approximates the true underlying behavior of a time-varying system by inverting an explicit generative model to convert noisy measurements into state estimates. This process typically requires matrix storage, inversion, and multiplication or Monte Carlo estimation, none of which are practical in high-dimensional state spaces such as the weight spaces of artificial neural networks. Here, we consider the standard Bayesian filtering problem as optimization over a time-varying objective. Instead of maintaining matrices for the filtering equations or simulating particles, we specify an optimizer that defines the Bayesian filter implicitly. In the linear-Gaussian setting, we show that every Kalman filter has an equivalent formulation using K steps of gradient descent. In the nonlinear setting, our experiments demonstrate that our framework results in filters that are effective, robust, and scalable to high-dimensional systems, comparing well against the standard toolbox of Bayesian filtering solutions. We suggest that it is easier to fine-tune an optimizer than it is to specify the correct filtering equations, making our framework an attractive option for high-dimensional filtering problems.

Representation rank is an important concept for understanding the role of Neural Networks (NNs) in Deep Reinforcement learning (DRL), which measures the expressive capacity of value networks. Existing studies focus on unboundedly maximizing this rank; nevertheless, that approach would introduce overly complex models in the learning, thus undermining performance. Hence, fine-tuning representation rank presents a challenging and crucial optimization problem. To address this issue, we find a guiding principle for adaptive control of the representation rank. We employ the Bellman equation as a theoretical foundation and derive an upper bound on the cosine similarity of consecutive state-action pairs representations of value networks. We then leverage this upper bound to propose a novel regularizer, namely BEllman Equation-based automatic rank Regularizer (BEER). This regularizer adaptively regularizes the representation rank, thus improving the DRL agent's performance. We first validate the effectiveness of automatic control of rank on illustrative experiments. Then, we scale up BEER to complex continuous control tasks by combining it with the deterministic policy gradient method. Among 12 challenging DeepMind control tasks, BEER outperforms the baselines by a large margin. Besides, BEER demonstrates significant advantages in Q-value approximation. Our code is available at https://github.com/sweetice/BEER-ICLR2024.

Graph Neural Networks (GNNs) have shown great promise in learning node embeddings for link prediction (LP). While numerous studies improve the overall GNNs' LP performance, none have explored their varying performance across different nodes and the underlying reasons. To this end, we demystify which nodes perform better from the perspective of their local topology. Despite the widespread belief that low-degree nodes exhibit worse LP performance, we surprisingly observe an inconsistent performance trend. This prompts us to propose a node-level metric, Topological Concentration (TC), based on the intersection of the local subgraph of each node with the ones of its neighbors. We empirically demonstrate that TC correlates with LP performance more than other node-level topological metrics, better identifying low-performing nodes than using degree. With TC, we discover a novel topological distribution shift issue in which nodes' newly joined neighbors tend to become less interactive with their existing neighbors, compromising the generalizability of node embeddings for LP at testing time. To make the computation of TC scalable, We further propose Approximated Topological Concentration (ATC) and justify its efficacy in approximating TC with reduced computation complexity. Given the positive correlation between node TC and its LP performance, we explore the potential of boosting LP performance via enhancing TC by re-weighting edges in the message-passing and discuss its effectiveness with limitations. Our code is publicly available at https://github.com/YuWVandy/Topo_LP_GNN.

Prompts play a crucial role in guiding the responses of Large Language Models (LLMs). However, the intricate role of individual tokens in prompts, known as input saliency, in shaping the responses remains largely underexplored. Existing saliency methods either misalign with LLM generation objectives or rely heavily on linearity assumptions, leading to potential inaccuracies. To address this, we propose Token Distribution Dynamics (TDD), an elegantly simple yet remarkably effective approach to unveil and manipulate the role of prompts in generating LLM outputs. TDD leverages the robust interpreting capabilities of the language model head (LM head) to assess input saliency. It projects input tokens into the embedding space and then estimates their significance based on distribution dynamics over the vocabulary. We introduce three TDD variants: forward, backward, and bidirectional, each offering unique insights into token relevance. Extensive experiments reveal that the TDD surpasses state-of-the-art baselines with a big margin in elucidating the causal relationships between prompts and LLM outputs. Beyond mere interpretation, we apply TDD to two prompt manipulation tasks for controlled text generation: zero-shot toxic language suppression and sentiment steering. Empirical results underscore TDD's proficiency in identifying both toxic and sentimental cues in prompts, subsequently mitigating toxicity or modulating sentiment in the generated content.

Speech quality estimation has recently undergone a paradigm shift from human-hearing expert designs to machine-learning models. However, current models rely mainly on supervised learning, which is time-consuming and expensive for label collection. To solve this problem, we propose VQScore, a self-supervised metric for evaluating speech based on the quantization error of a vector-quantized-variational autoencoder (VQ-VAE). The training of VQ-VAE relies on clean speech; hence, large quantization errors can be expected when the speech is distorted. To further improve correlation with real quality scores, domain knowledge of speech processing is incorporated into the model design. We found that the vector quantization mechanism could also be used for self-supervised speech enhancement (SE) model training. To improve the robustness of the encoder for SE, a novel self-distillation mechanism combined with adversarial training is introduced. In summary, the proposed speech quality estimation method and enhancement models require only clean speech for training without any label requirements. Experimental results show that the proposed VQScore and enhancement model are competitive with supervised baselines. The code and pre-trained models will be released

Text-to-image generative models can produce photo-realistic images for an extremely broad range of concepts, and their usage has proliferated widely among the general public. On the flip side, these models have numerous drawbacks, including their potential to generate images featuring sexually explicit content, mirror artistic styles without permission, or even hallucinate (or deepfake) the likenesses of celebrities. Consequently, various methods have been proposed in order to "erase" sensitive concepts from text-to-image models. In this work, we examine seven recently proposed concept erasure methods, and show that targeted concepts are not fully excised from any of these methods. Specifically, we leverage the existence of special learned word embeddings that can retrieve "erased" concepts from the sanitized models with no alterations to their weights. Our results highlight the brittleness of post hoc concept erasure methods, and call into question their use in the algorithmic toolkit for AI safety.

We present shuffle coding, a general method for optimal compression of sequences of unordered objects using bits-back coding. Data structures that can be compressed using shuffle coding include multisets, graphs, hypergraphs, and others. We release an implementation that can easily be adapted to different data types and statistical models, and demonstrate that our implementation achieves state-of-the-art compression rates on a range of graph datasets including molecular data.

Denoisers play a central role in many applications, from noise suppression in low-grade imaging sensors, to empowering score-based generative models. The latter category of methods makes use of Tweedie's formula, which links the posterior mean in Gaussian denoising (*i*.*e*., the minimum MSE denoiser) with the score of the data distribution. Here, we derive a fundamental relation between the higher-order central moments of the posterior distribution, and the higher-order derivatives of the posterior mean. We harness this result for uncertainty quantification of pre-trained denoisers. Particularly, we show how to efficiently compute the principal components of the posterior distribution for any desired region of an image, as well as to approximate the full marginal distribution along those (or any other) one-dimensional directions. Our method is fast and memory-efficient, as it does not explicitly compute or store the high-order moment tensors and it requires no training or fine tuning of the denoiser. Code and examples are available on the project [website](https://hilamanor.github.io/GaussianDenoisingPosterior/).

We study the problem of procedure planning in instructional videos, which aims to make a goal-oriented sequence of action steps given partial visual state observations. The motivation of this problem is to learn a structured and plannable state and action space. Recent works succeeded in sequence modeling of steps with only sequence-level annotations accessible during training, which overlooked the roles of states in the procedures. In this work, we point out that State CHangEs MAtter (SCHEMA) for procedure planning in instructional videos. We aim to establish a more structured state space by investigating the causal relations between steps and states in procedures. Specifically, we explicitly represent each step as state changes and track the state changes in procedures. For step representation, we leveraged the commonsense knowledge in large language models (LLMs) to describe the state changes of steps via our designed chain-of-thought prompting. For state changes tracking, we align visual state observations with language state descriptions via cross-modal contrastive learning, and explicitly model the intermediate states of the procedure using LLM-generated state descriptions. Experiments on CrossTask, COIN, and NIV benchmark datasets demonstrate that our proposed SCHEMA model achieves state-of-the-art performance and obtains explainable visualizations.

Because diffusion models have shown impressive performances in a number of tasks, such as image synthesis, there is a trend in recent works to prove (with certain assumptions) that these models have strong approximation capabilities. In this paper, we show that current diffusion models actually have an expressive bottleneck in backward denoising and some assumption made by existing theoretical guarantees is too strong. Based on this finding, we prove that diffusion models have unbounded errors in both local and global denoising. In light of our theoretical studies, we introduce soft mixture denoising (SMD), an expressive and efficient model for backward denoising. SMD not only permits diffusion models to well approximate any Gaussian mixture distributions in theory, but also is simple and efficient for implementation. Our experiments on multiple image datasets show that SMD significantly improves different types of diffusion models (e.g., DDPM), espeically in the situation of few backward iterations.

Multi-Task Reinforcement Learning (MTRL) tackles the long-standing problem of endowing agents with skills that generalize across a variety of problems. To this end, sharing representations plays a fundamental role in capturing both unique and common characteristics of the tasks. Tasks may exhibit similarities in terms of skills, objects, or physical properties while leveraging their representations eases the achievement of a universal policy. Nevertheless, the pursuit of learning a shared set of diverse representations is still an open challenge. In this paper, we introduce a novel approach for representation learning in MTRL that encapsulates common structures among the tasks using orthogonal representations to promote diversity. Our method, named Mixture Of Orthogonal Experts (MOORE), leverages a Gram-Schmidt process to shape a shared subspace of representations generated by a mixture of experts. When task-specific information is provided, MOORE generates relevant representations from this shared subspace. We assess the effectiveness of our approach on two MTRL benchmarks, namely MiniGrid and MetaWorld, showing that MOORE surpasses related baselines and establishes a new state-of-the-art result on MetaWorld.

Recent studies have shown that the regret of reinforcement learning (RL) can be polylogarithmic in the planning horizon $H$. However, it remains an open question whether such a result holds for adversarial RL. In this paper, we answer this question affirmatively by proposing the first horizon-free policy search algorithm. To tackle the challenges caused by exploration and adversarially chosen reward over episodes, our algorithm employs (1) a variance-uncertainty-aware weighted least square estimator for the transition kernel; and (2) an occupancy measure-based technique for the online search of a stochastic policy. We show that our algorithm achieves an $\tilde{O}\big((d+\log |\mathcal{S}|)\sqrt{K} + d^2\big)$ regret with full-information feedback, where $d$ is the dimension of a known feature mapping linearly parametrizing the unknown transition kernel of the MDP, $K$ is the number of episodes, $|\mathcal{S}|$ is the cardinality of the state space. We also provide hardness results to justify the near optimality of our algorithm and the inevitability of $\log|\mathcal{S}|$ in the regret bound.

This work studies the problem of panoptic symbol spotting, which is to spot and parse both countable object instances (windows, doors, tables, etc.) and uncountable stuff (wall, railing, etc.) from computer-aided design (CAD) drawings. Existing methods typically involve either rasterizing the vector graphics into images and using image-based methods for symbol spotting, or directly building graphs and using graph neural networks for symbol recognition. In this paper, we take a different approach, which treats graphic primitives as a set of 2D points that are locally connected and use point cloud segmentation methods to tackle it. Specifically, we utilize a point transformer to extract the primitive features and append a mask2former-like spotting head to predict the final output. To better use the local connection information of primitives and enhance their discriminability, we further propose the attention with connection module (ACM) and contrastive connection learning scheme (CCL). Finally, we propose a KNN interpolation mechanism for the mask attention module of the spotting head to better handle primitive mask downsampling, which is primitive-level in contrast to pixel-level for the image. Our approach, named SymPoint, is simple yet effective, outperforming recent state-of-the-art method GAT-CADNet by an absolute increase of 9.6% PQ and 10.4% RQ on the FloorPlanCAD dataset. The source code and models will be available at \url{https://github.com/nicehuster/SymPoint}.