ICLR 2024 论文列表

Manifold-valued measurements exist in numerous applications within computer vision and machine learning. Recent studies have extended Deep Neural Networks (DNNs) to manifolds, and concomitantly, normalization techniques have also been adapted to several manifolds, referred to as Riemannian normalization. Nonetheless, most of the existing Riemannian normalization methods have been derived in an ad hoc manner and only apply to specific manifolds. This paper establishes a unified framework for Riemannian Batch Normalization (RBN) techniques on Lie groups. Our framework offers the theoretical guarantee of controlling both the Riemannian mean and variance. Empirically, we focus on Symmetric Positive Definite (SPD) manifolds, which possess three distinct types of Lie group structures. Using the deformation concept, we generalize the existing Lie groups on SPD manifolds into three families of parameterized Lie groups. Specific normalization layers induced by these Lie groups are then proposed for SPD neural networks. We demonstrate the effectiveness of our approach through three sets of experiments: radar recognition, human action recognition, and electroencephalography (EEG) classification. The code is available at https://github.com/GitZH-Chen/LieBN.git.

Accurate uncertainty measurement is a key step in building robust and reliable machine learning systems. Conformal prediction is a distribution-free uncertainty quantification framework popular for its ease of implementation, finite-sample coverage guarantees, and generality for underlying prediction algorithms. However, existing conformal prediction approaches for time series are limited to single-step prediction without considering the temporal dependency. In this paper, we propose the Copula Conformal Prediction algorithm for multivariate, multi-step Time Series forecasting, CopulaCPTS. We prove that CopulaCPTS has finite-sample validity guarantee. On four synthetic and real-world multivariate time series datasets, we show that CopulaCPTS produces more calibrated and efficient confidence intervals for multi-step prediction tasks than existing techniques. Our code is open-sourced at https://github.com/Rose-STL-Lab/CopulaCPTS.

With the emergence of neural audio codecs, which encode multiple streams of discrete tokens from audio, large language models have recently gained attention as a promising approach for zero-shot Text-to-Speech (TTS) synthesis. Despite the ongoing rush towards scaling paradigms, audio tokenization ironically amplifies the scalability challenge, stemming from its long sequence length and the complexity of modelling the multiple sequences. To mitigate these issues, we present CLaM-TTS that employs a probabilistic residual vector quantization to (1) achieve superior compression in the token length, and (2) allow a language model to generate multiple tokens at once, thereby eliminating the need for cascaded modeling to handle the number of token streams. Our experimental results demonstrate that CLaM-TTS is better than or comparable to state-of-the-art neural codec-based TTS models regarding naturalness, intelligibility, speaker similarity, and inference speed. In addition, we examine the impact of the pretraining extent of the language models and their text tokenization strategies on performances.

The significant resource requirements associated with Large-scale Language Models (LLMs) have generated considerable interest in the development of techniques aimed at compressing and accelerating neural networks. Among these techniques, Post-Training Quantization (PTQ) has emerged as a subject of considerable interest due to its noteworthy compression efficiency and cost-effectiveness in the context of training. Existing PTQ methods for LLMs limit the optimization scope to scaling transformations between pre- and post-quantization weights. This constraint results in significant errors after quantization, particularly in low-bit configurations. In this paper, we advocate for the direct optimization using equivalent Affine transformations in PTQ (AffineQuant). This approach extends the optimization scope and thus significantly minimizing quantization errors. Additionally, by employing the corresponding inverse matrix, we can ensure equivalence between the pre- and post-quantization outputs of PTQ, thereby maintaining its efficiency and generalization capabilities. To ensure the invertibility of the transformation during optimization, we further introduce a gradual mask optimization method. This method initially focuses on optimizing the diagonal elements and gradually extends to the other elements. Such an approach aligns with the Levy-Desplanques theorem, theoretically ensuring invertibility of the transformation. As a result, significant performance improvements are evident across different LLMs on diverse datasets. Notably, these improvements are most pronounced when using very low-bit quantization, enabling the deployment of large models on edge devices. To illustrate, we attain a C4 perplexity of $15.76$ (2.26$\downarrow$ vs $18.02$ in OmniQuant) on the LLaMA2-$7$B model of W$4$A$4$ quantization without overhead. On zero-shot tasks, AffineQuant achieves an average of $58.61\%$ accuracy ( $1.98\%\uparrow$ vs $56.63$ in OmniQuant) when using $4$/$4$-bit quantization for LLaMA-$30$B, which setting a new state-of-the-art benchmark for PTQ in LLMs. Codes are available at: https://github.com/bytedance/AffineQuant.

Goal representation affects the performance of Hierarchical Reinforcement Learn- ing (HRL) algorithms by decomposing the complex learning problem into easier subtasks. Recent studies show that representations that preserve temporally ab- stract environment dynamics are successful in solving difficult problems and pro- vide theoretical guarantees for optimality. These methods however cannot scale to tasks where environment dynamics increase in complexity i.e. the temporally abstract transition relations depend on larger number of variables. On the other hand, other efforts have tried to use spatial abstraction to mitigate the previous issues. Their limitations include scalability to high dimensional environments and dependency on prior knowledge. In this paper, we propose a novel three-layer HRL algorithm that introduces, at different levels of the hierarchy, both a spatial and a temporal goal abstraction. We provide a theoretical study of the regret bounds of the learned policies. We evaluate the approach on complex continuous control tasks, demonstrating the effectiveness of spatial and temporal abstractions learned by this approach.

Representations learned via self-supervised learning (SSL) can be susceptible to dimensional collapse, where the learned representation subspace is of extremely low dimensionality and thus fails to represent the full data distribution and modalities. Dimensional collapse ––– also known as the "underfilling" phenomenon ––– is one of the major causes of degraded performance on downstream tasks. Previous work has investigated the dimensional collapse problem of SSL at a global level. In this paper, we demonstrate that representations can span over high dimensional space globally, but collapse locally. To address this, we propose a method called *local dimensionality regularization (LDReg)*. Our formulation is based on the derivation of the Fisher-Rao metric to compare and optimize local distance distributions at an asymptotically small radius for each data point. By increasing the local intrinsic dimensionality, we demonstrate through a range of experiments that LDReg improves the representation quality of SSL. The results also show that LDReg can regularize dimensionality at both local and global levels.

We study the problem of in-context learning (ICL) with large language models (LLMs) on private datasets. This scenario poses privacy risks, as LLMs may leak or regurgitate the private examples demonstrated in the prompt. We propose a novel algorithm that generates synthetic few-shot demonstrations from the private dataset with formal differential privacy (DP) guarantees, and show empirically that it can achieve effective ICL. We conduct extensive experiments on standard benchmarks and compare our algorithm with non-private ICL and zero-shot solutions. Our results demonstrate that our algorithm can achieve competitive performance with strong privacy levels. These results open up new possibilities for ICL with privacy protection for a broad range of applications.

Large vision-language models (LVLMs) have shown remarkable abilities in understanding visual information with human languages. However, LVLMs still suffer from object hallucination, which is the problem of generating descriptions that include objects that do not actually exist in the images. This can negatively impact many vision-language tasks, such as visual summarization and reasoning. To address this issue, we propose a simple yet powerful algorithm, LVLM Hallucination Revisor (LURE), to post-hoc rectify object hallucination in LVLMs by reconstructing less hallucinatory descriptions. LURE is grounded in a rigorous statistical analysis of the key factors underlying object hallucination, including co-occurrence (the frequent appearance of certain objects alongside others in images), uncertainty (objects with higher uncertainty during LVLM decoding), and object position (hallucination often appears in the later part of the generated text). LURE can also be seamlessly integrated with any LVLMs. We evaluate LURE on six open-source LVLMs and found it outperforms the previous best approach in both general object hallucination evaluation metrics, GPT, and human evaluations.

This paper presents a novel approach to premise selection, a crucial reasoning task in automated theorem proving. Traditionally, symbolic methods that rely on extensive domain knowledge and engineering effort are applied to this task. In contrast, this work demonstrates that contrastive training with the transformer architecture can achieve higher-quality retrieval of relevant premises, without the knowledge or feature engineering overhead. Our method, Magnushammer, outperforms the most advanced and widely used automation tool in interactive theorem proving called Sledgehammer. On the PISA and miniF2f benchmarks Magnushammer achieves $59.5\%$ (against $38.3\%$) and $34.0\%$ (against $20.9\%$) success rates, respectively. By combining Magnushammer with a language-model-based automated theorem prover, we further improve the state-of-the-art proof success rate from $57.0\%$ to $71.0\%$ on the PISA benchmark using $4$x fewer parameters. Moreover, we develop and open source a novel dataset for premise selection, containing textual representations of (proof state, relevant premise) pairs. To the best of our knowledge, this is the largest available premise selection dataset, and the first dataset of this kind for the Isabelle proof assistant.

Offline Goal-Conditioned Reinforcement Learning (GCRL) is tasked with learning to achieve multiple goals in an environment purely from offline datasets using sparse reward functions. Offline GCRL is pivotal for developing generalist agents capable of leveraging pre-existing datasets to learn diverse and reusable skills without hand-engineering reward functions. However, contemporary approaches to GCRL based on supervised learning and contrastive learning are often suboptimal in the offline setting. An alternative perspective on GCRL optimizes for occupancy matching, but necessitates learning a discriminator, which subsequently serves as a pseudo-reward for downstream RL. Inaccuracies in the learned discriminator can cascade, negatively influencing the resulting policy. We present a novel approach to GCRL under a new lens of mixture-distribution matching, leading to our discriminator-free method: SMORe. The key insight is combining the occupancy matching perspective of GCRL with a convex dual formulation to derive a learning objective that can better leverage suboptimal offline data. SMORe learns *scores* or unnormalized densities representing the importance of taking an action at a state for reaching a particular goal. SMORe is principled and our extensive experiments on the fully offline GCRL benchmark composed of robot manipulation and locomotion tasks, including high-dimensional observations, show that SMORe can outperform state-of-the-art baselines by a significant margin.

Standard language models generate text by selecting tokens from a fixed, finite, and standalone vocabulary. We introduce a novel method that selects context-aware phrases from a collection of supporting documents. One of the most significant challenges for this paradigm shift is determining the training oracles, because a string of text can be segmented in various ways and each segment can be retrieved from numerous possible documents. To address this, we propose to initialize the training oracles using linguistic heuristics and, more importantly, bootstrap the oracles through iterative self-reinforcement. Extensive experiments show that our model not only outperforms standard language models on a variety of knowledge-intensive tasks but also demonstrates improved generation quality in open-ended text generation. For instance, compared to the standard language model counterpart, our model raises the accuracy from 23.47% to 36.27% on OpenbookQA, and improves the MAUVE score from 42.61% to 81.58% in open-ended text generation. Remarkably, our model also achieves the best performance and the lowest latency among several retrieval-augmented baselines. In conclusion, we assert that retrieval is more accurate generation and hope that our work will encourage further research on this new paradigm shift.

When writing programs, people have the ability to tackle a new complex task by decomposing it into smaller and more familiar subtasks. While it is difficult to measure whether neural program synthesis methods have similar capabilities, we can measure whether they compositionally generalize, that is, whether a model that has been trained on the simpler subtasks is subsequently able to solve more complex tasks. In this paper, we characterize several different forms of compositional generalization that are desirable in program synthesis, forming a meta-benchmark which we use to create generalization tasks for two popular datasets, RobustFill and DeepCoder. We then propose ExeDec, a novel decomposition-based synthesis strategy that predicts execution subgoals to solve problems step-by-step informed by program execution at each step. When used with Transformer models trained from scratch, ExeDec has better synthesis performance and greatly improved compositional generalization ability compared to baselines. Finally, we use our benchmarks to demonstrate that LLMs struggle to compositionally generalize when asked to do programming-by-example in a few-shot setting, but an ExeDec-style prompting approach can improve the generalization ability and overall performance.

We investigate the mechanism design problem faced by a principal who hires \emph{multiple} agents to gather and report costly information. Then, the principal exploits the information to make an informed decision. We model this problem as a game, where the principal announces a mechanism consisting in action recommendations and a payment function, a.k.a. scoring rule. Then, each agent chooses an effort level and receives partial information about an underlying state of nature based on the effort. Finally, the agents report the information (possibly non-truthfully), the principal takes a decision based on this information, and the agents are paid according to the scoring rule. While previous work focuses on single-agent problems, we consider multi-agents settings. This poses the challenge of coordinating the agents' efforts and aggregating correlated information. Indeed, we show that optimal mechanisms must correlate agents' efforts, which introduces externalities among the agents, and hence complex incentive compatibility constraints and equilibrium selection problems. First, we design a polynomial-time algorithm to find an optimal incentive compatible mechanism. Then, we study an online problem, where the principal repeatedly interacts with a group of unknown agents. We design a no-regret algorithm that provides $\widetilde{\mathcal{O}}(T^{2/3})$ regret with respect to an optimal mechanism, matching the state-of-the-art bound for single-agent settings.

The majority of the research on the quantization of Deep Neural Networks (DNNs) is focused on reducing the precision of tensors visible by high-level frameworks (e.g., weights, activations, and gradients). However, current hardware still relies on high-accuracy core operations. Most significant is the operation of accumulating products. This high-precision accumulation operation is gradually becoming the main computational bottleneck. This is because, so far, the usage of low-precision accumulators led to a significant degradation in performance. In this work, we present a simple method to train and fine-tune DNNs, to allow, for the first time, utilization of cheaper, $12$-bits accumulators, with no significant degradation in accuracy. Lastly, we show that as we decrease the accumulation precision further, using fine-grained gradient approximations can improve the DNN accuracy.

In observational studies, balancing covariates in different treatment groups is essential to estimate treatment effects. One of the most commonly used methods for such purposes is weighting. The performance of this class of methods usually depends on strong regularity conditions for the underlying model, which might not hold in practice. In this paper, we investigate weighting methods from a functional estimation perspective and argue that the weights needed for covariate balancing could differ from those needed for treatment effects estimation under low regularity conditions. Motivated by this observation, we introduce a new framework of weighting that directly targets the treatment effects estimation. Unlike existing methods, the resulting estimator for a treatment effect under this new framework is a simple kernel-based $U$-statistic after applying a data-driven transformation to the observed covariates. We characterize the theoretical properties of the new estimators of treatment effects under a nonparametric setting and show that they are able to work robustly under low regularity conditions. The new framework is also applied to several numerical examples to demonstrate its practical merits.

Neural networks that process the parameters of other neural networks find applications in domains as diverse as classifying implicit neural representations, generating neural network weights, and predicting generalization errors. However, existing approaches either overlook the inherent permutation symmetry in the neural network or rely on intricate weight-sharing patterns to achieve equivariance, while ignoring the impact of the network architecture itself. In this work, we propose to represent neural networks as computational graphs of parameters, which allows us to harness powerful graph neural networks and transformers that preserve permutation symmetry. Consequently, our approach enables a single model to encode neural computational graphs with diverse architectures. We showcase the effectiveness of our method on a wide range of tasks, including classification and editing of implicit neural representations, predicting generalization performance, and learning to optimize, while consistently outperforming state-of-the-art methods. The source code is open-sourced at https://github.com/mkofinas/neural-graphs.

Bayesian optimization under contextual uncertainty (BOCU) is a family of BO problems in which the learner makes a decision prior to observing the context and must manage the risks involved. Distributionally robust BO (DRBO) is a subset of BOCU that affords robustness against context distribution shift, and includes the optimization of expected values and worst-case values as special cases. By considering the first derivatives of the DRBO objective, we generalize DRBO to one that includes several other uncertainty objectives studied in the BOCU literature such as worst-case sensitivity (and thus notions of risk such as variance, range, and conditional value-at-risk) and mean-risk tradeoffs. We develop a general Thompson sampling algorithm that is able to optimize any objective within the BOCU framework, analyze its theoretical properties, and compare it to suitable baselines across different experimental settings and uncertainty objectives.

Decoding the linguistic intricacies of the genome is a crucial problem in biology, and pre-trained foundational models such as DNABERT and Nucleotide Transformer have made significant strides in this area. Existing works have largely hinged on k-mer, fixed-length permutations of A, T, C, and G, as the token of the genome language due to its simplicity. However, we argue that the computation and sample inefficiencies introduced by k-mer tokenization are primary obstacles in developing large genome foundational models. We provide conceptual and empirical insights into genome tokenization, building on which we propose to replace k-mer tokenization with Byte Pair Encoding (BPE), a statistics-based data compression algorithm that constructs tokens by iteratively merging the most frequent co-occurring genome segment in the corpus. We demonstrate that BPE not only overcomes the limitations of k-mer tokenization but also benefits from the computational efficiency of non-overlapping tokenization. Based on these insights, we introduce DNABERT-2, a refined genome foundation model that adapts an efficient tokenizer and employs multiple strategies to overcome input length constraints, reduce time and memory expenditure, and enhance model capability. Furthermore, we identify the absence of a comprehensive and standardized benchmark for genome understanding as another significant impediment to fair comparative analysis. In response, we propose the Genome Understanding Evaluation (GUE), a comprehensive multi-species genome classification dataset that amalgamates $36$ distinct datasets across $9$ tasks, with input lengths ranging from $70$ to $10000$. Through comprehensive experiments on the GUE benchmark, we demonstrate that DNABERT-2 achieves comparable performance to the state-of-the-art model with $21 \times$ fewer parameters and approximately $92 \times$ less GPU time in pre-training. Compared to DNABERT, while being $3 \times$ more efficient, DNABERT-2 outperforms it on $23$ out of $28$ datasets, with an average improvement of $6$ absolute scores on GUE. The code, data, and pre-trained model are available at \url{https://github.com/MAGICS-LAB/DNABERT_2}.

Self-supervised learning has recently gained growing interest in molecular modeling for scientific tasks such as AI-assisted drug discovery. Current studies consider leveraging both 2D and 3D molecular structures for representation learning. However, relying on straightforward alignment strategies that treat each modality separately, these methods fail to exploit the intrinsic correlation between 2D and 3D representations that reflect the underlying structural characteristics of molecules, and only perform coarse-grained molecule-level alignment. To derive fine-grained alignment and promote structural molecule understanding, we introduce an atomic-relation level "blend-then-predict" self-supervised learning approach, MoleBLEND, which first blends atom relations represented by different modalities into one unified relation matrix for joint encoding, then recovers modality-specific information for 2D and 3D structures individually. By treating atom relationships as anchors, MoleBLEND organically aligns and integrates visually dissimilar 2D and 3D modalities of the same molecule at fine-grained atomic level, painting a more comprehensive depiction of each molecule. Extensive experiments show that MoleBLEND achieves state-of-the-art performance across major 2D/3D molecular benchmarks. We further provide theoretical insights from the perspective of mutual-information maximization, demonstrating that our method unifies contrastive, generative (cross-modality prediction) and mask-then-predict (single-modality prediction) objectives into one single cohesive framework.