ICLR 2024 Papers

We explore how continued pre-training on domain-specific corpora influences large language models, revealing that training on the raw corpora endows the model with domain knowledge, but drastically hurts its prompting ability for question answering. Taken inspiration from human learning via reading comprehension--practice after reading improves the ability to answer questions based on the learned knowledge--we propose a simple method for transforming raw corpora into reading comprehension texts. Each raw text is enriched with a series of tasks related to its content. Our method, highly scalable and applicable to any pre-training corpora, consistently enhances performance across various tasks in three different domains: biomedicine, finance, and law. Notably, our 7B language model achieves competitive performance with domain-specific models of much larger scales, such as BloombergGPT-50B. Furthermore, we demonstrate that domain-specific reading comprehension texts can improve the model's performance even on general benchmarks, showing the potential to develop a general model across even more domains. Our model, code, and data are available at https://github.com/microsoft/LMOps.

This paper considers a ubiquitous problem underlying several applications of DPMs, i.e., optimizing the parameters of DPMs when the objective is a differentiable metric defined on the generated contents. Since the sampling procedure of DPMs involves recursive calls to the denoising UNet, naive gradient backpropagation requires storing the intermediate states of all iterations, resulting in extremely high memory consumption. To overcome this issue, we propose a novel method AdjointDPM, which first generates new samples from diffusion models by solving the corresponding probability-flow ODEs. It then uses the adjoint sensitivity method to backpropagate the gradients of the loss to the models' parameters (including conditioning signals, network weights, and initial noises) by solving another augmented ODE. To reduce numerical errors in both the forward generation and gradient backpropagation processes, we further reparameterize the probability-flow ODE and augmented ODE as simple non-stiff ODEs using exponential integration. AdjointDPM can effectively compute the gradients of all types of parameters in DPMs, including the network weights, conditioning text prompts, and noisy states. Finally, we demonstrate the effectiveness of AdjointDPM on several interesting tasks: guided generation via modifying sampling trajectories, finetuning DPM weights for stylization, and converting visual effects into text embeddings.

Recently, Graph Contrastive Learning (GCL) has achieved significantly superior performance in self-supervised graph representation learning. However, the existing GCL technique has inherent smooth characteristics because of its low-pass GNN encoder and objective based on homophily assumption, which poses a challenge when applying it to heterophilic graphs. In supervised learning tasks, spectral GNNs with polynomial approximation excel in both homophilic and heterophilic settings by adaptively fitting graph filters of arbitrary shapes. Yet, their applications in unsupervised learning are rarely explored. Based on the above analysis, a natural question arises: Can we incorporate the excellent properties of spectral polynomial filters into graph contrastive learning? In this paper, we address the question by studying the necessity of introducing high-pass information for heterophily from a spectral perspective. We propose PolyGCL, a GCL pipeline that utilizes polynomial filters to achieve contrastive learning between the low-pass and high-pass views. Specifically, PolyGCL utilizes polynomials with learnable filter functions to generate different spectral views and an objective that incorporates high-pass information through a linear combination. We theoretically prove that PolyGCL outperforms previous GCL paradigms when applied to graphs with varying levels of homophily. We conduct extensive experiments on both synthetic and real-world datasets, which demonstrate the promising performance of PolyGCL on homophilic and heterophilic graphs.

Large language models have shown remarkable aptitude in code generation, but still struggle to perform complex tasks. Self-repair---in which the model debugs and repairs its own code---has recently become a popular way to boost performance in these settings. However, despite its increasing popularity, existing studies of self-repair have been limited in scope; in many settings, its efficacy thus remains poorly understood. In this paper, we analyze Code Llama, GPT-3.5 and GPT-4's ability to perform self-repair on problems taken from HumanEval and APPS. We find that when the cost of carrying out repair is taken into account, performance gains are often modest, vary a lot between subsets of the data, and are sometimes not present at all. We hypothesize that this is because self-repair is bottlenecked by the model's ability to provide feedback on its own code; using a stronger model to artificially boost the quality of the feedback, we observe substantially larger performance gains. Similarly, a small-scale study in which we provide GPT-4 with feedback from human participants suggests that even for the strongest models, self-repair still lags far behind what can be achieved with human-level debugging.

This paper presents DreamLLM, a learning framework that first achieves versatile Multimodal Large Language Models (MLLMs) empowered with frequently overlooked synergy between multimodal comprehension and creation. DreamLLM operates on two fundamental principles. The first focuses on the generative modeling of both language and image posteriors by direct sampling in the raw multimodal space. This approach circumvents the limitations and information loss inherent to external feature extractors like CLIP, and a more thorough multimodal understanding is obtained. Second, DreamLLM fosters the generation of raw, interleaved documents, modeling both text and image contents, along with unstructured layouts. This allows DreamLLM to learn all conditional, marginal, and joint multimodal distributions effectively. As a result, DreamLLM is the first MLLM capable of generating free-form interleaved content. Comprehensive experiments highlight DreamLLM's superior performance as a zero-shot multimodal generalist, reaping from the enhanced learning synergy. Project page: https://dreamllm.github.io.

Recent test-time adaptation methods heavily rely on nuanced adjustments of batch normalization (BN) parameters. However, one critical assumption often goes overlooked: that of independently and identically distributed (i.i.d.) test batches with respect to unknown labels. This oversight leads to skewed BN statistics and undermines the reliability of the model under non-i.i.d. scenarios. To tackle this challenge, this paper presents a novel method termed '$\textbf{Un-Mix}$ing $\textbf{T}$est-Time $\textbf{N}$ormalization $\textbf{S}$tatistics' (UnMix-TNS). Our method re-calibrates the statistics for each instance within a test batch by $\textit{mixing}$ it with multiple distinct statistics components, thus inherently simulating the i.i.d. scenario. The core of this method hinges on a distinctive online $\textit{unmixing}$ procedure that continuously updates these statistics components by incorporating the most similar instances from new test batches. Remarkably generic in its design, UnMix-TNS seamlessly integrates with a wide range of leading test-time adaptation methods and pre-trained architectures equipped with BN layers. Empirical evaluations corroborate the robustness of UnMix-TNS under varied scenarios—ranging from single to continual and mixed domain shifts, particularly excelling with temporally correlated test data and corrupted non-i.i.d. real-world streams. This adaptability is maintained even with very small batch sizes or single instances. Our results highlight UnMix-TNS's capacity to markedly enhance stability and performance across various benchmarks. Our code is publicly available at https://github.com/devavratTomar/unmixtns.

In the past several years, the last-iterate convergence of the Stochastic Gradient Descent (SGD) algorithm has triggered people's interest due to its good performance in practice but lack of theoretical understanding. For Lipschitz convex functions, different works have established the optimal $O(\log(1/\delta)\log T/\sqrt{T})$ or $O(\sqrt{\log(1/\delta)/T})$ high-probability convergence rates for the final iterate, where $T$ is the time horizon and $\delta$ is the failure probability. However, to prove these bounds, all the existing works are either limited to compact domains or require almost surely bounded noises. It is natural to ask whether the last iterate of SGD can still guarantee the optimal convergence rate but without these two restrictive assumptions. Besides this important question, there are still lots of theoretical problems lacking an answer. For example, compared with the last-iterate convergence of SGD for non-smooth problems, only few results for smooth optimization have yet been developed. Additionally, the existing results are all limited to a non-composite objective and the standard Euclidean norm. It still remains unclear whether the last-iterate convergence can be provably extended to wider composite optimization and non-Euclidean norms. In this work, to address the issues mentioned above, we revisit the last-iterate convergence of stochastic gradient methods and provide the first unified way to prove the convergence rates both in expectation and in high probability to accommodate general domains, composite objectives, non-Euclidean norms, Lipschitz conditions, smoothness, and (strong) convexity simultaneously.

Neural networks can be significantly compressed by pruning, yielding sparse models with reduced storage and computational demands while preserving predictive performance. Model soups (Wortsman et al., 2022) enhance generalization and out-of-distribution (OOD) performance by averaging the parameters of multiple models into a single one, without increasing inference time. However, achieving both sparsity and parameter averaging is challenging as averaging arbitrary sparse models reduces the overall sparsity due to differing sparse connectivities. This work addresses these challenges by demonstrating that exploring a single retraining phase of Iterative Magnitude Pruning (IMP) with varied hyperparameter configurations such as batch ordering or weight decay yields models suitable for averaging, sharing identical sparse connectivity by design. Averaging these models significantly enhances generalization and OOD performance over their individual counterparts. Building on this, we introduce Sparse Model Soups (SMS), a novel method for merging sparse models by initiating each prune-retrain cycle with the averaged model from the previous phase. SMS preserves sparsity, exploits sparse network benefits, is modular and fully parallelizable, and substantially improves IMP's performance. We further demonstrate that SMS can be adapted to enhance state-of-the-art pruning-during-training approaches.

Recurrent neural networks (RNNs) in the brain and \emph{in silico} excel at solving tasks with intricate temporal dependencies. Long timescales required for solving such tasks can arise from properties of individual neurons (single-neuron timescale, $\tau$, e.g., membrane time constant in biological neurons) or recurrent interactions among them (network-mediated timescale, $\tau_\textrm{\small{net}}$). However, the contribution of each mechanism for optimally solving memory-dependent tasks remains poorly understood. Here, we train RNNs to solve $N$-parity and $N$-delayed match-to-sample tasks with increasing memory requirements controlled by $N$, by simultaneously optimizing recurrent weights and $\tau$s. We find that RNNs develop longer timescales with increasing $N$, but depending on the learning objective, they use different mechanisms. Two distinct curricula define learning objectives: sequential learning of a single-$N$ (single-head) or simultaneous learning of multiple $N$s (multi-head). Single-head networks increase their $\tau$ with $N$ and can solve large-$N$ tasks, but suffer from catastrophic forgetting. However, multi-head networks, which are explicitly required to hold multiple concurrent memories, keep $\tau$ constant and develop longer timescales through recurrent connectivity. We show that the multi-head curriculum increases training speed and stability to perturbations, and allows generalization to tasks beyond the training set. This curriculum also significantly improves training GRUs and LSTMs for large-$N$ tasks. Our results suggest that adapting timescales to task requirements via recurrent interactions allows learning more complex objectives and improves the RNN's performance.

Extending the context window of large language models (LLMs) is getting popular recently, while the solution of augmenting LLMs with retrieval has existed for years. The natural questions are: i) Retrieval-augmentation versus long context window, which one is better for downstream tasks? ii) Can both methods be combined to get the best of both worlds? In this work, we answer these questions by studying both solutions using two state-of-the-art pretrained LLMs, i.e., a proprietary 43B GPT and Llama2-70B. Perhaps surprisingly, we find that LLM with 4K context window using simple retrieval-augmentation at generation can achieve comparable performance to finetuned LLM with 16K context window via positional interpolation on long context tasks, while taking much less computation. More importantly, we demonstrate that retrieval can significantly improve the performance of LLMs regardless of their extended context window sizes. Our best model, retrieval-augmented Llama2-70B with 32K context window, outperforms GPT-3.5-turbo-16k and Davinci003 in terms of average score on nine long context tasks including question answering, query-based summarization, and in-context few-shot learning tasks. It also outperforms its non-retrieval Llama2-70B-32k baseline by a margin, while being much faster at generation. Our study provides general insights on the choice of retrieval-augmentation versus long context extension of LLM for practitioners.

We propose a simple approach for memory-efficient adaptation of pretrained language models. Our approach uses an iterative algorithm to decompose each pretrained matrix into a high-precision low-rank component and a memory-efficient quantized component. During finetuning, the quantized component remains fixed and only the low-rank component is updated. We present an integer linear programming formulation of the quantization component which enables dynamic configuration of quantization parameters (e.g., bit-width, block size) for each matrix given an overall target memory budget. We further explore a data-aware version of the algorithm which uses an approximation of the Fisher information matrix to weight the reconstruction objective during matrix decomposition. Experiments on finetuning RoBERTa and LLaMA-2 (7B and 70B) demonstrate that our low-rank plus quantized matrix decomposition approach (LQ-LoRA) outperforms strong QLoRA and GPTQ-LoRA baselines and enables aggressive quantization to sub-3 bits with only minor performance degradations. When finetuned on a language modeling calibration dataset, LQ-LoRA can also be used for model compression; in this setting our 2.75-bit LLaMA-2-70B model (which has 2.85 bits on average when including the low-rank components and requires 27GB of GPU memory) performs respectably compared to the 16-bit baseline.

Spiking Neural Networks (SNNs) have received widespread attention in academic communities due to their superior spatio-temporal processing capabilities and energy-efficient characteristics. With further in-depth application in various fields, the vulnerability of SNNs under adversarial attack has become a focus of concern. In this paper, we draw inspiration from two mainstream learning algorithms of SNNs and observe that SNN models reserve both rate and temporal information. To better understand the capabilities of these two types of information, we conduct a quantitative analysis separately for each. In addition, we note that the retention degree of temporal information is related to the parameters and input settings of spiking neurons. Building on these insights, we propose a hybrid adversarial attack based on rate and temporal information (HART), which allows for dynamic adjustment of the rate and temporal attributes. Experimental results demonstrate that compared to previous works, HART attack can achieve significant superiority under different attack scenarios, data types, network architecture, time-steps, and model hyper-parameters. These findings call for further exploration into how both types of information can be effectively utilized to enhance the reliability of SNNs. Code is available at [https://github.com/hzc1208/HART_Attack](https://github.com/hzc1208/HART_Attack).

Climate and weather prediction traditionally relies on complex numerical simulations of atmospheric physics. Deep learning approaches, such as transformers, have recently challenged the simulation paradigm with complex network forecasts. However, they often act as data-driven black-box models that neglect the underlying physics and lack uncertainty quantification. We address these limitations with ClimODE, a spatiotemporal continuous-time process that implements a key principle of advection from statistical mechanics, namely, weather changes due to a spatial movement of quantities over time. ClimODE models precise weather evolution with value-conserving dynamics, learning global weather transport as a neural flow, which also enables estimating the uncertainty in predictions. Our approach outperforms existing data-driven methods in global and regional forecasting with an order of magnitude smaller parameterization, establishing a new state of the art.

We introduce a new model for multivariate probabilistic time series prediction, designed to flexibly address a range of tasks including forecasting, interpolation, and their combinations. Building on copula theory, we propose a simplified objective for the recently-introduced transformer-based attentional copulas (TACTiS), wherein the number of distributional parameters now scales linearly with the number of variables instead of factorially. The new objective requires the introduction of a training curriculum, which goes hand-in-hand with necessary changes to the original architecture. We show that the resulting model has significantly better training dynamics and achieves state-of-the-art performance across diverse real-world forecasting tasks, while maintaining the flexibility of prior work, such as seamless handling of unaligned and unevenly-sampled time series. Code is made available at https://github.com/ServiceNow/TACTiS.

The goal of reinforcement learning (RL) is to find a policy that maximizes the expected cumulative return. It has been shown that this objective can be represented as an optimization problem of state-action visitation distribution under linear constraints. The dual problem of this formulation, which we refer to as *dual RL*, is unconstrained and easier to optimize. In this work, we first cast several state-of-the-art offline RL and offline imitation learning (IL) algorithms as instances of dual RL approaches with shared structures. Such unification allows us to identify the root cause of the shortcomings of prior methods. For offline IL, our analysis shows that prior methods are based on a restrictive coverage assumption that greatly limits their performance in practice. To fix this limitation, we propose a new discriminator-free method ReCOIL that learns to imitate from arbitrary off-policy data to obtain near-expert performance. For offline RL, our analysis frames a recent offline RL method XQL in the dual framework, and we further propose a new method $f$-DVL that provides alternative choices to the Gumbel regression loss that fixes the known training instability issue of XQL. The performance improvements by both of our proposed methods, ReCOIL and $f$-DVL, in IL and RL are validated on an extensive suite of simulated robot locomotion and manipulation tasks.

Motion trajectories offer reliable references for physics-based motion learning but suffer from sparsity, particularly in regions that lack sufficient data coverage. To address this challenge, we introduce a self-supervised, structured representation and generation method that extracts spatial-temporal relationships in periodic or quasi-periodic motions. The motion dynamics in a continuously parameterized latent space enable our method to enhance the interpolation and generalization capabilities of motion learning algorithms. The motion learning controller, informed by the motion parameterization, operates online tracking of a wide range of motions, including targets unseen during training. With a fallback mechanism, the controller dynamically adapts its tracking strategy and automatically resorts to safe action execution when a potentially risky target is proposed. By leveraging the identified spatial-temporal structure, our work opens new possibilities for future advancements in general motion representation and learning algorithms.

Conventional Time Series Classification (TSC) methods are often black boxes that obscure inherent interpretation of their decision-making processes. In this work, we leverage Multiple Instance Learning (MIL) to overcome this issue, and propose a new framework called MILLET: Multiple Instance Learning for Locally Explainable Time series classification. We apply MILLET to existing deep learning TSC models and show how they become inherently interpretable without compromising (and in some cases, even improving) predictive performance. We evaluate MILLET on 85 UCR TSC datasets and also present a novel synthetic dataset that is specially designed to facilitate interpretability evaluation. On these datasets, we show MILLET produces sparse explanations quickly that are of higher quality than other well-known interpretability methods. To the best of our knowledge, our work with MILLET is the first to develop general MIL methods for TSC and apply them to an extensive variety of domains.

Large language models (LLMs) frequently hallucinate on abstractive summarization tasks such as document-based question-answering, meeting summarization, and clinical report generation, even though all necessary information is included in context. However, optimizing to make LLMs hallucinate less is challenging, as hallucination is hard to efficiently, cheaply, and reliably evaluate at each optimization step. In this work, we show that reducing hallucination on a _synthetic task_ can also reduce hallucination on real-world downstream tasks. Our method, SynTra, first designs a synthetic task where hallucinations are easy to elicit and measure. It next optimizes the LLM's system message via prefix tuning on the synthetic task, then uses the system message on realistic, hard-to-optimize tasks. Across three realistic abstractive summarization tasks, we reduce hallucination for two 13B-parameter LLMs using supervision signal from only a synthetic retrieval task. We also find that optimizing the system message rather than the model weights can be critical; fine-tuning the entire model on the synthetic task can counterintuitively _increase_ hallucination. Overall, SynTra demonstrates that the extra flexibility of working with synthetic data can help mitigate undesired behaviors in practice.

In the field of algorithmic fairness, significant attention has been put on group fairness criteria, such as Demographic Parity and Equalized Odds. Nevertheless, these objectives, measured as global averages, have raised concerns about persistent local disparities between sensitive groups. In this work, we address the problem of local fairness, which ensures that the predictor is unbiased not only in terms of expectations over the whole population, but also within any subregion of the feature space, unknown at training time. To enforce this objective, we introduce ROAD, a novel approach that leverages the Distributionally Robust Optimization (DRO) framework within a fair adversarial learning objective, where an adversary tries to infer the sensitive attribute from the predictions. Using an instance-level re-weighting strategy, ROAD is designed to prioritize inputs that are likely to be locally unfair, i.e. where the adversary faces the least difficulty in reconstructing the sensitive attribute. Numerical experiments demonstrate the effectiveness of our method: it achieves Pareto dominance with respect to local fairness and accuracy for a given global fairness level across three standard datasets, and also enhances fairness generalization under distribution shift.