ICLR 2024 Papers

Unsupervised domain adaptation (UDA) involves adapting a model trained on a label-rich source domain to an unlabeled target domain. However, in real-world scenarios, the absence of target-domain labels makes it challenging to evaluate the performance of UDA models. Furthermore, prevailing UDA methods relying on adversarial training and self-training could lead to model degeneration and negative transfer, further exacerbating the evaluation problem. In this paper, we propose a novel metric called the Transfer Score to address these issues. The proposed metric enables the unsupervised evaluation of UDA models by assessing the spatial uniformity of the classifier via model parameters, as well as the transferability and discriminability of deep representations. Based on the metric, we achieve three novel objectives without target-domain labels: (1) selecting the best UDA method from a range of available options, (2) optimizing hyperparameters of UDA models to prevent model degeneration, and (3) identifying which checkpoint of UDA model performs optimally. Our work bridges the gap between data-level UDA research and practical UDA scenarios, enabling a realistic assessment of UDA model performance. We validate the effectiveness of our metric through extensive empirical studies on UDA datasets of different scales and imbalanced distributions. The results demonstrate that our metric robustly achieves the aforementioned goals.

While Large Language Models (LLMs) are increasingly being used in real-world applications, they remain vulnerable to *prompt injection attacks*: malicious third party prompts that subvert the intent of the system designer. To help researchers study this problem, we present a dataset of over 563,000 prompt injection attacks and 118,000 prompt-based "defenses" against prompt injection, all created by players of an online game called Tensor Trust. To the best of our knowledge, this is the first dataset that includes both human-generated attacks and defenses for instruction-following LLMs. The attacks in our dataset have easily interpretable structure, and shed light on the weaknesses of LLMs. We also use the dataset to create a benchmark for resistance to two types of prompt injection, which we refer to as *prompt extraction* and *prompt hijacking*. Our benchmark results show that many models are vulnerable to the attack strategies in the Tensor Trust dataset. Furthermore, we show that some attack strategies from the dataset generalize to deployed LLM-based applications, even though they have a very different set of constraints to the game. We release data and code at [tensortrust.ai/paper](https://tensortrust.ai/paper)

Despite the promising few-shot ability of large language models (LLMs), the standard paradigm of In-context Learning (ICL) suffers the disadvantages of susceptibility to selected demonstrations and the intricacy to generate these demonstrations. In this paper, we raise the fundamental question that whether human-generated demonstrations are necessary for ICL. To answer this question, we propose self-contemplation prompting strategy (SEC), a paradigm free from human-crafted demonstrations. The key point of SEC is that, instead of using hand-crafted examples as demonstrations in ICL, SEC asks LLMs to first create demonstrations on their own, based on which the final output is generated. SEC is a flexible framework and can be adapted to both the vanilla ICL and the chain-of-thought (CoT), but with greater ease: as the manual-generation process of both examples and rationale can be saved. Extensive experiments in arithmetic reasoning, commonsense reasoning, multi-task language understanding, and code generation benchmarks, show that SEC, which does not require hand-crafted demonstrations, significantly outperforms the zero-shot learning strategy, and achieves comparable results to ICL with hand-crafted demonstrations. This demonstrates that, for many tasks, contemporary LLMs possess a sufficient level of competence to exclusively depend on their own capacity for decision making, removing the need for external training data.

We study infinite-horizon average-reward Markov decision processes (AMDPs) in the context of general function approximation. Specifically, we propose a novel algorithmic framework named Local-fitted Optimization with OPtimism (LOOP), which incorporates both model-based and value-based incarnations. In particular, LOOP features a novel construction of confidence sets and a low-switching policy updating scheme, which are tailored to the average-reward and function approximation setting. Moreover, for AMDPs, we propose a novel complexity measure --- average-reward generalized eluder coefficient (AGEC) --- which captures the challenge of exploration in AMDPs with general function approximation. Such a complexity measure encompasses almost all previously known tractable AMDP models, such as linear AMDPs and linear mixture AMDPs, and also includes newly identified cases such as kernel AMDPs and AMDPs with Bellman eluder dimensions. Using AGEC, we prove that LOOP achieves a sublinear $\tilde{\mathcal{O}}(\mathrm{poly}(d, \mathrm{sp}(V^*)) \sqrt{T\beta} )$ regret, where $d$ and $\beta$ correspond to AGEC and log-covering number of the hypothesis class respectively, $\mathrm{sp}(V^*)$ is the span of the optimal state bias function, $T$ denotes the number of steps, and $\tilde{\mathcal{O}} (\cdot) $ omits logarithmic factors. When specialized to concrete AMDP models, our regret bounds are comparable to those established by the existing algorithms designed specifically for these special cases. To the best of our knowledge, this paper presents the first comprehensive theoretical framework capable of handling nearly all AMDPs.

Recent work in mechanistic interpretability has shown that behaviors in language models can be successfully reverse-engineered through circuit analysis. A common criticism, however, is that each circuit is task-specific, and thus such analysis cannot contribute to understanding the models at a higher level. In this work, we present evidence that insights (both low-level findings about specific heads and higher-level findings about general algorithms) can indeed generalize across tasks. Specifically, we study the circuit discovered in (Wang, 2022) for the Indirect Object Identification (IOI) task and 1.) show that it reproduces on a larger GPT2 model, and 2.) that it is mostly reused to solve a seemingly different task: Colored Objects (Ippolito & Callison-Burch, 2023). We provide evidence that the process underlying both tasks is functionally very similar, and contains about a 78% overlap in in-circuit attention heads. We further present a proof-of-concept intervention experiment, in which we adjust four attention heads in middle layers in order to ‘repair’ the Colored Objects circuit and make it behave like the IOI circuit. In doing so, we boost accuracy from 49.6% to 93.7% on the Colored Objects task and explain most sources of error. The intervention affects downstream attention heads in specific ways predicted by their interactions in the IOI circuit, indicating that this subcircuit behavior is invariant to the different task inputs. Overall, our results provide evidence that it may yet be possible to explain large language models' behavior in terms of a relatively small number of interpretable task-general algorithmic building blocks and computational components.

The accurate modeling of dynamics in interactive environments is critical for successful long-range prediction. Such a capability could advance Reinforcement Learning (RL) and Planning algorithms, but achieving it is challenging. Inaccuracies in model estimates can compound, resulting in increased errors over long horizons. We approach this problem from the lens of Koopman theory, where the nonlinear dynamics of the environment can be linearized in a high-dimensional latent space. This allows us to efficiently parallelize the sequential problem of long-range prediction using convolution while accounting for the agent's action at every time step. Our approach also enables stability analysis and better control over gradients through time. Taken together, these advantages result in significant improvement over the existing approaches, both in the efficiency and the accuracy of modeling dynamics over extended horizons. We also show that this model can be easily incorporated into dynamics modeling for model-based planning and model-free RL and report promising experimental results.

In this work, we consider rather general and broad class of Markov chains, Ito chains, that look like Euler-Maryama discretization of some Stochastic Differential Equation. The chain we study is a unified framework for theoretical analysis. It comes with almost arbitrary isotropic and state-dependent noise instead of normal and state-independent one as in most related papers. Moreover, in our chain the drift and diffusion coefficient can be inexact in order to cover wide range of applications as Stochastic Gradient Langevin Dynamics, sampling, Stochastic Gradient Descent or Stochastic Gradient Boosting. We prove the bound in $\mathcal{W}_{2}$-distance between the laws of our Ito chain and corresponding differential equation. These results improve or cover most of the known estimates. And for some particular cases, our analysis is the first.

Hard-thresholding is an important type of algorithm in machine learning that is used to solve $\ell_0$ constrained optimization problems. However, the true gradient of the objective function can be difficult to access in certain scenarios, which normally can be approximated by zeroth-order (ZO) methods. SZOHT algorithm is the only algorithm tackling $\ell_0$ sparsity constraints with zeroth-order gradients so far. Unfortunately, SZOHT has a notable limitation on the number of random directions due to the inherent conflict between the deviation of ZO gradients and the expansivity of the hard-thresholding operator. This paper approaches this problem by considering the role of variance and provides a new insight into variance reduction: mitigating the unique conflicts between ZO gradients and hard-thresholding. Under this perspective, we propose a generalized variance reduced ZO hard-thresholding algorithm as well as the generalized convergence analysis under standard assumptions. The theoretical results demonstrate the new algorithm eliminates the restrictions on the number of random directions, leading to improved convergence rates and broader applicability compared with SZOHT. Finally, we illustrate the utility of our method on a portfolio optimization problem as well as black-box adversarial attacks.

As is well known, both sampling from the posterior and computing the mean of the posterior in Gaussian process regression reduces to solving a large linear system of equations. We study the use of stochastic gradient descent for solving this linear system, and show that when done right---by which we mean using specific insights from the optimisation and kernel communities---stochastic gradient descent is highly effective. To that end, we introduce a particularly simple stochastic dual descent algorithm, explain its design in an intuitive manner and illustrate the design choices through a series of ablation studies. Further experiments demonstrate that our new method is highly competitive. In particular, our evaluations on the UCI regression tasks and on Bayesian optimisation set our approach apart from preconditioned conjugate gradients and variational Gaussian process approximations. Moreover, our method places Gaussian process regression on par with state-of-the-art graph neural networks for molecular binding affinity prediction.

We introduce GAIA, a benchmark for General AI Assistants that, if solved, would represent a milestone in AI research. GAIA proposes real-world questions that require a set of fundamental abilities such as reasoning, multi-modality handling, web browsing, and generally tool-use proficiency. GAIA questions are conceptually simple for humans yet challenging for most advanced AIs: we show that human respondents obtain 92% vs. 15% for GPT-4 equipped with plugins. This notable performance disparity contrasts with the recent trend of LLMs outperforming humans on tasks requiring professional skills in e.g. law or chemistry. GAIA’s philosophy departs from the current trend in AI benchmarks suggesting to target tasks that are ever more difficult for humans. We posit that the advent of Artificial General Intelligence (AGI) hinges on a system’s capability to exhibit similar robustness as the average human does on such questions. Using GAIA’s methodology, we devise 466 questions and their answer. We release our questions while retaining answers to 300 of them to power a leader-board accessible at https://huggingface.co/gaia-benchmark.

AI systems based on deep learning have reached or surpassed human performance in a range of narrow domains. In coming years or decades, artificial general intelligence (AGI) may surpass human capabilities at many critical tasks. In this position paper, we examine the technical difficulty of fine-tuning hypothetical AGI systems based on pretrained deep models to pursue goals that are aligned with human interests. We argue that, if trained like today's most capable models, AGI systems could learn to act deceptively to receive higher reward, learn internally-represented goals which generalize beyond their fine-tuning distributions, and pursue those goals using power-seeking strategies. We review emerging evidence for these properties. AGIs with these properties would be difficult to align and may appear aligned even when they are not.

Human mathematicians are often good at recognizing modular and reusable theorems that make complex mathematical results within reach. In this paper, we propose a novel method called theoREm-from-prooF extrACTOR (REFACTOR) for training neural networks to mimic this ability in formal mathematical theorem proving. We show on a set of unseen proofs, REFACTOR is able to extract 19.6\% of the theorems that humans would use to write the proofs. When applying the model to the existing Metamath library, REFACTOR extracted 16 new theorems. With newly extracted theorems, we show that the existing proofs in the MetaMath database can be refactored. The new theorems are used very frequently after refactoring, with an average usage of 733.5 times, and help shorten the proof lengths. Lastly, we demonstrate that the prover trained on the new-theorem refactored dataset proves more test theorems and outperforms state-of-the-art baselines by frequently leveraging a diverse set of newly extracted theorems. Code can be found at https://github.com/jinpz/refactor.

Image restoration problems are typically ill-posed in the sense that each degraded image can be restored in infinitely many valid ways. To accommodate this, many works generate a diverse set of outputs by attempting to randomly sample from the posterior distribution of natural images given the degraded input. Here we argue that this strategy is commonly of limited practical value because of the heavy tail of the posterior distribution. Consider for example inpainting a missing region of the sky in an image. Since there is a high probability that the missing region contains no object but clouds, any set of samples from the posterior would be entirely dominated by (practically identical) completions of sky. However, arguably, presenting users with only one clear sky completion, along with several alternative solutions such as airships, birds, and balloons, would better outline the set of possibilities. In this paper, we initiate the study of **meaningfully diverse** image restoration. We explore several post-processing approaches that can be combined with any diverse image restoration method to yield semantically meaningful diversity. Moreover, we propose a practical approach for allowing diffusion based image restoration methods to generate meaningfully diverse outputs, while incurring only negligent computational overhead. We conduct extensive user studies to analyze the proposed techniques, and find the strategy of reducing similarity between outputs to be significantly favorable over posterior sampling. Code and examples are available on the [project's webpage](https://noa-cohen.github.io/MeaningfulDiversityInIR/).

In this paper, we consider federated reinforcement learning for tabular episodic Markov Decision Processes (MDP) where, under the coordination of a central server, multiple agents collaboratively explore the environment and learn an optimal policy without sharing their raw data. While linear speedup in the number of agents has been achieved for some metrics, such as convergence rate and sample complexity, in similar settings, it is unclear whether it is possible to design a *model-free* algorithm to achieve linear *regret* speedup with low communication cost. We propose two federated Q-Learning algorithms termed as FedQ-Hoeffding and FedQ-Bernstein, respectively, and show that the corresponding total regrets achieve a linear speedup compared with their single-agent counterparts, while the communication cost scales logarithmically in the total number of time steps $T$. Those results rely on an event-triggered synchronization mechanism between the agents and the server, a novel step size selection when the server aggregates the local estimates of the state-action values to form the global estimates, and a set of new concentration inequalities to bound the sum of non-martingale differences. This is the first work showing that linear regret speedup and logarithmic communication cost can be achieved by model-free algorithms in federated reinforcement learning.

Due to privacy or patent concerns, a growing number of large models are released without granting access to their training data, making transferring their knowledge inefficient and problematic. In response, Data-Free Knowledge Distillation (DFKD) methods have emerged as direct solutions. However, simply adopting models derived from DFKD for real-world applications suffers significant performance degradation, due to the discrepancy between teachers' training data and real-world scenarios (student domain). The degradation stems from the portions of teachers' knowledge that are not applicable to the student domain. They are specific to the teacher domain and would undermine students' performance. Hence, selectively transferring teachers' appropriate knowledge becomes the primary challenge in DFKD. In this work, we propose a simple but effective method AuG-KD. It utilizes an uncertainty-guided and sample-specific anchor to align student-domain data with the teacher domain and leverages a generative method to progressively trade off the learning process between OOD knowledge distillation and domain-specific information learning via mixup learning. Extensive experiments in 3 datasets and 8 settings demonstrate the stability and superiority of our approach.

Generative Large Language Models (LLMs) have achieved remarkable advancements in various NLP tasks. However, these advances have not been reflected in the translation task, especially those with moderate model sizes (i.e., 7B or 13B parameters), which still lag behind conventional supervised encoder-decoder translation models. Previous studies have attempted to improve the translation capabilities of these LLMs, but their gains have been limited. In this study, we propose a novel fine-tuning approach for LLMs that is specifically designed for the translation task, eliminating the need for the abundant parallel data that traditional translation models usually depend on. Our approach consists of two fine-tuning stages: initial fine-tuning on monolingual data followed by subsequent fine-tuning on a small set of high-quality parallel data. We introduce the LLM developed through this strategy as **A**dvanced **L**anguage **M**odel-based tr**A**nslator (**ALMA**). Based on LLaMA-2 as our underlying model, our results show that the model can achieve an average improvement of more than 12 BLEU and 12 COMET over its zero-shot performance across 10 translation directions from the WMT'21 (2 directions) and WMT'22 (8 directions) test datasets. The performance is significantly better than all prior work and even superior to the NLLB-54B model \citep{nllb} and GPT-3.5-text-davinci-003, with only 7B or 13B parameters. This method establishes the foundation for a novel training paradigm in machine translation.

Weakly supervised learning aims to construct effective predictive models from imperfectly labeled data. The recent trend of weakly supervised learning has focused on how to learn an accurate classifier from completely unlabeled data, given little supervised information such as class priors. In this paper, we consider a newly proposed weakly supervised learning problem called multi-class classification from multiple unlabeled datasets, where only multiple sets of unlabeled data and their class priors (i.e., the proportions of each class) are provided for training the classifier. To solve this problem, we first propose a classifier-consistent method (CCM) based on a probability transition matrix. However, CCM cannot guarantee risk consistency and lacks of purified supervision information during training. Therefore, we further propose a risk-consistent method (RCM) that progressively purifies supervision information during training by importance weighting. We provide comprehensive theoretical analyses for our methods to demonstrate the statistical consistency. Experimental results on multiple benchmark datasets and various prior matrices demonstrate the superiority of our proposed methods.

Transformer-based machine translation models currently dominate the field of model-based program translation. However, these models fail to provide interpretative support for the generated program translations. Moreover, researchers frequently invest substantial time and computational resources in retraining models, yet the improvement in translation accuracy is quite limited. To address these issues, we introduce a novel approach, $k\text{NN-ECD}$, which combines $k$-nearest-neighbor search with a key-value error correction datastore to overwrite the wrong translations of TransCoder-ST. This provides a decision-making basis for interpreting the corrected translations. Building upon this, we further propose $k\text{NN-ECS}_{m}$, a methodology that employs a distributed structure with $m$ sub-datastores connected in series, utilizing $m$ diverse experts for multi-round error correction. Additionally, we put forward a unified name rule, encouraging the datastore to focus more on code logic and structure rather than diverse rare identifiers. Our experimental results show that our approach improves the translation accuracy from 68.9\% to 89.9\% of TransCoder-ST (for translation from Java to Python). This error correction method augments program translation, overcoming the inherent limitations of Transformer-based code translation models, such as resource-intensive retraining requirements and uninterpretable outcomes.

Scientific knowledge is predominantly stored in books and scientific journals, often in the form of PDFs. However, the PDF format leads to a loss of semantic information, particularly for mathematical expressions. We propose Nougat (Neural Optical Understanding for Academic Documents), a Visual Transformer model that performs an Optical Character Recognition (OCR) task for processing scientific documents into a markup language, and demonstrate the effectiveness of our model on a new dataset of scientific documents. The proposed approach offers a promising solution to enhance the accessibility of scientific knowledge in the digital age, by bridging the gap between human- readable documents and machine-readable text. We release the models and code to accelerate future work on scientific text recognition.