ICLR 2024 Papers

Image generative models have made significant progress in generating realistic and diverse images, supported by comprehensive guidance from various evaluation metrics. However, current video generative models struggle to generate even short video clips, with limited tools that provide insights for improvements. Current video evaluation metrics are simple adaptations of image metrics by switching the embeddings with video embedding networks, which may underestimate the unique characteristics of video. Our analysis reveals that the widely used Frechet Video Distance (FVD) has a stronger emphasis on the spatial aspect than the temporal naturalness of video and is inherently constrained by the input size of the embedding networks used, limiting it to 16 frames. Additionally, it demonstrates considerable instability and diverges from human evaluations. To address the limitations, we propose STREAM, a new video evaluation metric uniquely designed to independently evaluate spatial and temporal aspects. This feature allows comprehensive analysis and evaluation of video generative models from various perspectives, unconstrained by video length. We provide analytical and experimental evidence demonstrating that STREAM provides an effective evaluation tool for both visual and temporal quality of videos, offering insights into area of improvement for video generative models. To the best of our knowledge, STREAM is the first evaluation metric that can separately assess the temporal and spatial aspects of videos. Our code is available at https://github.com/pro2nit/STREAM.

Significant strides have been made using large vision-language models, like Stable Diffusion (SD), for a variety of downstream tasks, including image generation, image editing, and 3D shape generation. Inspired by these advancements, we explore leveraging these vision-language models for segmenting images at any desired granularity using as few as one annotated sample. We propose SLiMe, which frames this problem as an optimization task. Specifically, given a single image and its segmentation mask, we first extract our novel “weighted accumulated self-attention map” along with cross-attention map from the SD prior. Then, using these extracted maps, the text embeddings of SD are optimized to highlight the segmented region in these attention maps, which in turn can be used to derive new segmentation results. Moreover, leveraging additional training data when available, i.e. few-shot, improves the performance of SLiMe. We performed comprehensive experiments examining various design factors and showed that SLiMe outperforms other existing one-shot and few-shot segmentation methods.

One-shot 3D talking portrait generation aims to reconstruct a 3D avatar from an unseen image, and then animate it with a reference video or audio to generate a talking portrait video. The existing methods fail to simultaneously achieve the goals of accurate 3D avatar reconstruction and stable talking face animation. Besides, while the existing works mainly focus on synthesizing the head part, it is also vital to generate natural torso and background segments to obtain a realistic talking portrait video. To address these limitations, we present Real3D-Potrait, a framework that (1) improves the one-shot 3D reconstruction power with a large image-to-plane model that distills 3D prior knowledge from a 3D face generative model; (2) facilitates accurate motion-conditioned animation with an efficient motion adapter; (3) synthesizes realistic video with natural torso movement and switchable background using a head-torso-background super-resolution model; and (4) supports one-shot audio-driven talking face generation with a generalizable audio-to-motion model. Extensive experiments show that Real3D-Portrait generalizes well to unseen identities and generates more realistic talking portrait videos compared to previous methods. Video samples are available at https://real3dportrait.github.io.

Exemplar-Free Class Incremental Learning (EFCIL) aims to learn from a sequence of tasks without having access to previous task data. In this paper, we consider the challenging Cold Start scenario in which insufficient data is available in the first task to learn a high-quality backbone. This is especially challenging for EFCIL since it requires high plasticity, which results in feature drift which is difficult to compensate for in the exemplar-free setting. To address this problem, we propose a simple and effective approach that consolidates feature representations by regularizing drift in directions highly relevant to previous tasks and employs prototypes to reduce task-recency bias. Our method, called Elastic Feature Consolidation (EFC), exploits a tractable second-order approximation of feature drift based on an Empirical Feature Matrix (EFM). The EFM induces a pseudo-metric in feature space which we use to regularize feature drift in important directions and to update Gaussian prototypes used in a novel asymmetric cross entropy loss which effectively balances prototype rehearsal with data from new tasks. Experimental results on CIFAR-100, Tiny-ImageNet, ImageNet-Subset and ImageNet-1K demonstrate that Elastic Feature Consolidation is better able to learn new tasks by maintaining model plasticity and significantly outperform the state-of-the-art.

Powerful artificial intelligence systems are often used in settings where they must interact with agents that are computationally much weaker, for example when they work alongside humans or operate in complex environments where some tasks are handled by algorithms, heuristics, or other entities of varying computational power. For AI agents to successfully interact in these settings, however, achieving superhuman performance alone is not sufficient; they also need to account for suboptimal actions or idiosyncratic style from their less-skilled counterparts. We propose a formal evaluation framework for assessing the compatibility of near-optimal AI with interaction partners who may have much lower levels of skill; we use popular collaborative chess variants as model systems to study and develop AI agents that can successfully interact with lower-skill entities. Traditional chess engines designed to output near-optimal moves prove to be inadequate partners when paired with engines of various lower skill levels in this domain, as they are not designed to consider the presence of other agents. We contribute three methodologies to explicitly create skill-compatible AI agents in complex decision-making settings, and two chess game frameworks designed to foster collaboration between powerful AI agents and less-skilled partners. On these frameworks, our agents outperform state-of-the-art chess AI (based on AlphaZero) despite being weaker in conventional chess, demonstrating that skill-compatibility is a tangible trait that is qualitatively and measurably distinct from raw performance. Our evaluations further explore and clarify the mechanisms by which our agents achieve skill-compatibility.

Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possibile combinations of representations, choice of coordinates and point-wise activations to obtain an equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.

GNNs, like other deep learning models, are data and computation hungry. There is a pressing need to scale training of GNNs on large datasets to enable their usage on low-resource environments. Graph distillation is an effort in that direction with the aim to construct a smaller synthetic training set from the original training data without significantly compromising model performance. While initial efforts are promising, this work is motivated by two key observations: (1) Existing graph distillation algorithms themselves rely on training with the full dataset, which undermines the very premise of graph distillation. (2) The distillation process is specific to the target GNN architecture and hyper-parameters and thus not robust to changes in the modeling pipeline. We circumvent these limitations by designing a distillation algorithm called MIRAGE for graph classification. MIRAGE is built on the insight that a message-passing GNN decomposes the input graph into a multiset of computation trees. Furthermore, the frequency distribution of computation trees is often skewed in nature, enabling us to condense this data into a concise distilled summary. By compressing the computation data itself, as opposed to emulating gradient flows on the original training set—a prevalent approach to date—MIRAGE transforms into an unsupervised and architecture-agnostic distillation algorithm. Extensive benchmarking on real-world datasets underscores MIRAGE’s superiority, showcasing enhanced generalization accuracy, data compression, and distillation efficiency when compared to state-of-the-art baselines.

We investigate a challenging task of nighttime optical flow, which suffers from weakened texture and amplified noise. These degradations weaken discriminative visual features, thus causing invalid motion feature matching. Typically, existing methods employ domain adaptation to transfer knowledge from auxiliary domain to nighttime domain in either input visual space or output motion space. However, this direct adaptation is ineffective, since there exists a large domain gap due to the intrinsic heterogeneous nature of the feature representations between auxiliary and nighttime domains. To overcome this issue, we explore a common-latent space as the intermediate bridge to reinforce the feature alignment between auxiliary and nighttime domains. In this work, we exploit two auxiliary daytime and event domains, and propose a novel common appearance-boundary adaptation framework for nighttime optical flow. In appearance adaptation, we employ the intrinsic image decomposition to embed the auxiliary daytime image and the nighttime image into a reflectance-aligned common space. We discover that motion distributions of the two reflectance maps are very similar, benefiting us to consistently transfer motion appearance knowledge from daytime to nighttime domain. In boundary adaptation, we theoretically derive the motion correlation formula between nighttime image and accumulated events within a spatiotemporal gradient-aligned common space. We figure out that the correlation of the two spatiotemporal gradient maps shares significant discrepancy, benefitting us to contrastively transfer boundary knowledge from event to nighttime domain. Moreover, appearance adaptation and boundary adaptation are complementary to each other, since they could jointly transfer global motion and local boundary knowledge to the nighttime domain. Extensive experiments have been performed to verify the superiority of the proposed method.

Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing multi-step reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate prediction of possible precursor molecules given the target molecule and confidence estimates to guide heuristic search algorithms. We model single-step retrosynthesis as a distribution learning problem in a discrete state space. First, we introduce the Markov Bridge Model, a generative framework aimed to approximate the dependency between two intractable discrete distributions accessible via a finite sample of coupled data points. Our framework is based on the concept of a Markov bridge, a Markov process pinned at its endpoints. Unlike diffusion-based methods, our Markov Bridge Model does not need a tractable noise distribution as a sampling proxy and directly operates on the input product molecules as samples from the intractable prior distribution. We then address the retrosynthesis planning problem with our novel framework and introduce RetroBridge, a template-free retrosynthesis modeling approach that achieves state-of-the-art results on standard evaluation benchmarks.

Invariance learning methods aim to learn invariant features in the hope that they generalize under distributional shift. Although many tasks are naturally characterized by continuous domains, current invariance learning techniques generally assume categorically indexed domains. For example, auto-scaling in cloud computing often needs a CPU utilization prediction model that generalizes across different times (e.g., time of a day and date of a year), where `time' is a continuous domain index. In this paper, we start by theoretically showing that existing invariance learning methods can fail for continuous domain problems. Specifically, the naive solution of splitting continuous domains into discrete ones ignores the underlying relationship among domains, and therefore potentially leads to suboptimal performance. To address this challenge, we then propose Continuous Invariance Learning (CIL), which extracts invariant features across continuously indexed domains. CIL is a novel adversarial procedure which measures and controls the conditional independence between the labels and continuous domain indices given the extracted features. Our theoretical analysis demonstrates that CIL learns features that satisfy the invariant constraint with infinite samples. Empirical results on both synthetic and real-world datasets (including data collected from production systems) show that CIL consistently outperforms strong baselines among all the tasks.

We study online reinforcement learning in linear Markov decision processes with adversarial losses and bandit feedback. We introduce two algorithms that achieve improved regret performance compared to existing approaches. The first algorithm, although computationally inefficient, achieves a regret of $\widetilde{O}(\sqrt{K})$ without relying on simulators, where $K$ is the number of episodes. This is the first rate-optimal result in the considered setting. The second algorithm is computationally efficient and achieves a regret of $\widetilde{O}(K^{\frac{3}{4}})$ . These results significantly improve over the prior state-of-the-art: a computationally inefficient algorithm by Kong et al. (2023) with $\widetilde{O}(K^{\frac{4}{5}}+1/\lambda_{\min})$ regret, and a computationally efficient algorithm by Sherman et al. (2023b) with $\widetilde{O}(K^{\frac{6}{7}})$ regret.

Learning from human preferences is important for language models to match human needs and to align with human and social values. Prior works have achieved remarkable successes by learning from human feedback to understand and follow instructions. Nonetheless, these methods are either founded on hand-picked model generations that are favored by human annotators, rendering them inefficient in terms of data utilization and challenging to apply in general, or they depend on reinforcement learning, which often suffers from imperfect reward functions and relies on extremely challenging optimizations. In this work, we propose a novel technique, Chain of Hindsight, that is easy to optimize and can learn from any form of feedback, regardless of its polarity. Our idea is inspired by how humans learn from extensive feedback presented in the form of languages. We convert all types of feedback into sequences of sentences, which are then used to fine-tune the model, allowing us to take advantage of the language comprehension capabilities of language models. We condition the model on a sequence of model generations paired with feedback. By doing so, the model is trained to generate outputs based on feedback, while learning to identify and correct negative attributes or errors. Applying our method to large language models, we observed that Chain of Hindsight significantly surpasses previous methods in aligning language models with human preferences. We report significant improvements on summarization and dialogue benchmarks, with our approach markedly preferred in human evaluations.

We present ImplicitSLIM, a novel unsupervised learning approach for sparse high-dimensional data, with applications to collaborative filtering. Sparse linear methods (SLIM) and their variations show outstanding performance, but they are memory-intensive and hard to scale. ImplicitSLIM improves embedding-based models by extracting embeddings from SLIM-like models in a computationally cheap and memory-efficient way, without explicit learning of heavy SLIM-like models. We show that ImplicitSLIM improves performance and speeds up convergence for both state of the art and classical collaborative filtering methods. The source code for ImplicitSLIM, related models, and applications is available at https://github.com/ilya-shenbin/ImplicitSLIM.

Machine learning models have demonstrated substantial performance enhancements over non-learned alternatives in various fundamental data management operations, including indexing (locating items in an array), cardinality estimation (estimating the number of matching records in a database), and range-sum estimation (estimating aggregate attribute values for query-matched records). However, real-world systems frequently favor less efficient non-learned methods due to their ability to offer (worst-case) error guarantees — an aspect where learned approaches often fall short. The primary objective of these guarantees is to ensure system reliability, ensuring that the chosen approach consistently delivers the desired level of accuracy across all databases. In this paper, we embark on the first theoretical study of such guarantees for learned methods, presenting the necessary conditions for such guarantees to hold when using machine learning to perform indexing, cardinality estimation and range-sum estimation. Specifically, we present the first known lower bounds on the model size required to achieve the desired accuracy for these three key database operations. Our results bound the required model size for given average and worst-case errors in performing database operations, serving as the first theoretical guidelines governing how model size must change based on data size to be able to guarantee an accuracy level. More broadly, our established guarantees pave the way for the broader adoption and integration of learned models into real-world systems.

Imitation learning with human data has demonstrated remarkable success in teaching robots in a wide range of skills. However, the inherent diversity in human behavior leads to the emergence of multi-modal data distributions, thereby presenting a formidable challenge for existing imitation learning algorithms. Quantifying a model's capacity to capture and replicate this diversity effectively is still an open problem. In this work, we introduce simulation benchmark environments and the corresponding *Datasets with Diverse human Demonstrations for Imitation Learning (D3IL)*, designed explicitly to evaluate a model's ability to learn multi-modal behavior. Our environments are designed to involve multiple sub-tasks that need to be solved, consider manipulation of multiple objects which increases the diversity of the behavior and can only be solved by policies that rely on closed loop sensory feedback. Other available datasets are missing at least one of these challenging properties. To address the challenge of diversity quantification, we introduce tractable metrics that provide valuable insights into a model's ability to acquire and reproduce diverse behaviors. These metrics offer a practical means to assess the robustness and versatility of imitation learning algorithms. Furthermore, we conduct a thorough evaluation of state-of-the-art methods on the proposed task suite. This evaluation serves as a benchmark for assessing their capability to learn diverse behaviors. Our findings shed light on the effectiveness of these methods in tackling the intricate problem of capturing and generalizing multi-modal human behaviors, offering a valuable reference for the design of future imitation learning algorithms.

Watermark algorithms for large language models (LLMs) have achieved extremely high accuracy in detecting text generated by LLMs. Such algorithms typically involve adding extra watermark logits to the LLM's logits at each generation step. However, prior algorithms face a trade-off between attack robustness and security robustness. This is because the watermark logits for a token are determined by a certain number of preceding tokens; a small number leads to low security robustness, while a large number results in insufficient attack robustness. In this work, we propose a semantic invariant watermarking method for LLMs that provides both attack robustness and security robustness. The watermark logits in our work are determined by the semantics of all preceding tokens. Specifically, we utilize another embedding LLM to generate semantic embeddings for all preceding tokens, and then these semantic embeddings are transformed into the watermark logits through our trained watermark model. Subsequent analyses and experiments demonstrated the attack robustness of our method in semantically invariant settings: synonym substitution and text paraphrasing settings. Finally, we also show that our watermark possesses adequate security robustness.

Large language models (LLMs) such as GPT-4 have exhibited remarkable performance in a variety of tasks, but this strong performance often comes with the high expense of using paid API services. In this paper, we are motivated to study building an LLM "cascade" to save the cost of using LLMs, particularly for performing (e.g., mathematical, causal) reasoning tasks. Our cascade pipeline follows the intuition that simpler questions can be addressed by a weaker but more affordable LLM, whereas only the most challenging questions necessitate the stronger and more expensive LLM. To realize this decision-making, we consider the "answer consistency" of the weaker LLM as a signal of the question difficulty and propose several methods for answering sampling and consistency checking, including one leveraging a mixture of two thought representations (i.e., Chain-of-Thought and Program-of-Thought). Through experiments on six reasoning benchmark datasets, with GPT-3.5-turbo and GPT-4 being the weaker and stronger LLMs, respectively, our cascade pipeline demonstrates comparable performance but reduces about 60% of the cost compared with fully using the stronger LLM.

Sparse Mixture-of-Experts (MoE) is a neural architecture design that adds learnable parameters to Large Language Models (LLMs) without increasing computational complexity (FLOPs). Instruction tuning is a technique for training LLMs to follow instructions. We advocate combining these two approaches, as we find that MoE models benefit more from instruction tuning than dense models. In particular, we conduct empirical studies across three experimental setups: (i) Direct finetuning on individual downstream tasks devoid of instruction tuning; (ii) Instruction tuning followed by in-context few-shot or zero-shot generalization on downstream tasks; and (iii) Instruction tuning supplemented by further finetuning on individual downstream tasks. In the first scenario, MoE models overall underperform dense models of identical computational capacity. This narrative, however, dramatically changes with the introduction of instruction tuning (in the second and third scenarios), used independently or in conjunction with task-specific finetuning. Our most powerful model, FLAN-MoE-32B, surpasses the performance of Flan-PaLM-62B on four benchmark tasks, while using only a third of the FLOPs. The advancements embodied by FLAN-MoE inspire a reevaluation of the design principles of large-scale, high-performance language models in the framework of task-agnostic learning.

We present **STanHop-Net** (**S**parse **Tan**dem **Hop**field **Net**work) for multivariate time series prediction with memory-enhanced capabilities. At the heart of our approach is **STanHop**, a novel Hopfield-based neural network block, which sparsely learns and stores both temporal and cross-series representations in a data-dependent fashion. In essence, STanHop sequentially learns temporal representation and cross-series representation using two tandem sparse Hopfield layers. Additionally, STanHop incorporates two external memory modules: **Plug-and-Play** and **Tune-and-Play** for train-less and task-aware memory enhancements, respectively. They allow StanHop-Net to swiftly respond to sudden events. Methodologically, we construct the STanHop-Net by stacking STanHop blocks in a hierarchical fashion, enabling multi-resolution feature extraction with resolution-specific sparsity. Theoretically, we introduce a unified construction (**Generalized Sparse Modern Hopfield Model**) for both dense and sparse modern Hopfield models and show that it endows a tighter memory retrieval error compared to the dense counterpart without sacrificing memory capacity. Empirically, we validate the efficacy of STanHop-Net on many settings: time series prediction, fast test-time adaptation, and strongly correlated time series prediction.