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Deep Learning · Large Language Models

Ming Zhong, Chenxin An, Weizhu Chen, Jiawei Han, Pengcheng He

Large Language Models (LLMs) inherently encode a wealth of knowledge within their parameters through pre-training on extensive corpora. While prior research has delved into operations on these parameters to manipulate the underlying implicit knowledge — encompassing detection, editing, and merging — there remains an ambiguous understanding regarding their transferability across models with varying scales. In this paper, we seek to empirically investigate knowledge transfer from larger to smaller models through a parametric perspective. To achieve this, we employ sensitivity-based techniques to extract and align knowledge-specific parameters between different LLMs. Moreover, the LoRA module is used as the intermediary mechanism for injecting the extracted knowledge into smaller models. Evaluations across four benchmarks validate the efficacy of our proposed method. Our findings highlight the critical factors contributing to the process of parametric knowledge transfer, underscoring the transferability of model parameters across LLMs of different scales. Project website: https://maszhongming.github.io/ParaKnowTransfer.

Social Aspects · Accountability, Transparency and Interpretability

Krzysztof Kacprzyk, Tennison Liu, Mihaela van der Schaar

Transparent machine learning (ML) models are essential for ensuring interpretability and trustworthiness in decision-making systems, particularly in high-stakes domains such as healthcare, finance, and criminal justice. While transparent machine learning models have been proposed for classification and regression, time series forecasting presents some unique challenges for ensuring transparency. In particular, currently used bottom-up approaches that focus on the values of the time series at specific time points (usually regularly spaced) do not provide a holistic understanding of the entire time series. This limits the applicability of ML in many critical areas. To open up these domains for ML, we propose a top-down framework of bi-level transparency, which involves understanding the higher-level trends and the lower-level properties of the predicted time series. Applying this framework, we develop TIMEVIEW, a transparent ML model for time series forecasting based on static features, complemented with an interactive visualization tool. Through a series of experiments, we demonstrate the efficacy and interpretability of our approach, paving the way for more transparent and reliable applications of ML in various domains.

Theory · Game Theory

Ian Gemp, Luke Marris, Georgios Piliouras

We propose the first loss function for approximate Nash equilibria of normal-form games that is amenable to unbiased Monte Carlo estimation. This construction allows us to deploy standard non-convex stochastic optimization techniques for approximating Nash equilibria, resulting in novel algorithms with provable guarantees. We complement our theoretical analysis with experiments demonstrating that stochastic gradient descent can outperform previous state-of-the-art approaches.

Applications · Computer Vision

Peng Wang, Hao Tan, Sai Bi, Yinghao Xu, Fujun Luan, Kalyan Sunkavalli, Wenping Wang, Zexiang Xu, Kai Zhang

We propose a Pose-Free Large Reconstruction Model (PF-LRM) for reconstructing a 3D object from a few unposed images even with little visual overlap, while simultaneously estimating the relative camera poses in ~1.3 seconds on a single A100 GPU. PF-LRM is a highly scalable method utilizing self-attention blocks to exchange information between 3D object tokens and 2D image tokens; we predict a coarse point cloud for each view, and then use a differentiable Perspective-n-Point (PnP) solver to obtain camera poses. When trained on a huge amount of multi-view posed data of ~1M objects, PF-LRM shows strong cross-dataset generalization ability, and outperforms baseline methods by a large margin in terms of pose prediction accuracy and 3D reconstruction quality on various unseen evaluation datasets. We also demonstrate our model's applicability in downstream text/image-to-3D task with fast feed-forward inference. Our project website is at: https://totoro97.github.io/pf-lrm.

Deep Learning · Large Language Models

Tennison Liu, Nicolás Astorga, Nabeel Seedat, Mihaela van der Schaar

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on efficiently balancing exploration and exploitation. While there has been substantial progress in BO methods, striking this balance remains a delicate process. In this light, we present \texttt{LLAMBO}, a novel approach that integrates the capabilities of Large Language Models (LLM) within BO. At a high level, we frame the BO problem in natural language, enabling LLMs to iteratively \emph{propose} and \emph{evaluate} promising solutions conditioned on historical evaluations. More specifically, we explore how combining contextual understanding, few-shot learning proficiency, and domain knowledge of LLMs can improve model-based BO. Our findings illustrate that \texttt{LLAMBO} is effective at zero-shot warmstarting, and enhances surrogate modeling and candidate sampling, especially in the early stages of search when observations are sparse. Our approach is performed in context and does not require LLM finetuning. Additionally, it is modular by design, allowing individual components to be integrated into existing BO frameworks, or function cohesively as an end-to-end method. We empirically validate \texttt{LLAMBO}'s efficacy on the problem of hyperparameter tuning, highlighting strong empirical performance across a range of diverse benchmarks, proprietary, and synthetic tasks.

Optimization

Zijian Liu, Zhengyuan Zhou

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.

Applications · Computer Vision

Chunming He, Kai Li, Yachao Zhang, Yulun Zhang, Chenyu You, zhenhua guo, Xiu Li, Martin Danelljan, Fisher Yu

Camouflaged object detection (COD) is the challenging task of identifying camouflaged objects visually blended into surroundings. Albeit achieving remarkable success, existing COD detectors still struggle to obtain precise results in some challenging cases. To handle this problem, we draw inspiration from the prey-vs-predator game that leads preys to develop better camouflage and predators to acquire more acute vision systems and develop algorithms from both the prey side and the predator side. On the prey side, we propose an adversarial training framework, Camouflageator, which introduces an auxiliary generator to generate more camouflaged objects that are harder for a COD method to detect. Camouflageator trains the generator and detector in an adversarial way such that the enhanced auxiliary generator helps produce a stronger detector. On the predator side, we introduce a novel COD method, called Internal Coherence and Edge Guidance (ICEG), which introduces a camouflaged feature coherence module to excavate the internal coherence of camouflaged objects, striving to obtain more complete segmentation results. Additionally, ICEG proposes a novel edge-guided separated calibration module to remove false predictions to avoid obtaining ambiguous boundaries. Extensive experiments show that ICEG outperforms existing COD detectors and Camouflageator is flexible to improve various COD detectors, including ICEG, which brings state-of-the-art COD performance.

Deep Learning · Graph Neural Networks

Florian Frantzen, Michael Schaub

Triggered by limitations of graph-based deep learning methods in terms of computational expressivity and model flexibility, recent years have seen a surge of interest in computational models that operate on higher-order topological domains such as hypergraphs and simplicial complexes. While the increased expressivity of these models can indeed lead to a better classification performance and a more faithful representation of the underlying system, the computational cost of these higher-order models can increase dramatically. To this end, we here explore a simplicial complex neural network learning architecture based on random walks and fast 1D convolutions (SCRaWl), in which we can adjust the increase in computational cost by varying the length and number of random walks considered while accounting for higher-order relationships. Importantly, due to the random walk-based design, the expressivity of the proposed architecture is provably incomparable to that of existing message-passing simplicial neural networks. We empirically evaluate SCRaWl on real-world datasets and show that it outperforms other simplicial neural networks.

Joey Hong, Anca Dragan, Sergey Levine

Offline reinforcement learning (RL) can in principle synthesize more optimal behavior from a dataset consisting only of suboptimal trials. One way that this can happen is by "stitching" together the best parts of otherwise suboptimal trajectories that overlap on similar states, to create new behaviors where each individual state is in-distribution, but the overall returns are higher. However, in many interesting and complex applications, such as autonomous navigation and dialogue systems, the state is partially observed. Even worse, the state representation is unknown or not easy to define. In such cases, policies and value functions are often conditioned on observation histories instead of states. In these cases, it is not clear if the same kind of "stitching" is feasible at the level of observation histories, since two different trajectories would always have different histories, and thus "similar states" that might lead to effective stitching cannot be leveraged. Theoretically, we show that standard offline RL algorithms conditioned on observation histories suffer from poor sample complexity, in accordance with the above intuition. We then identify sufficient conditions under which offline RL can still be efficient -- intuitively, it needs to learn a compact representation of history comprising only features relevant for action selection. We introduce a bisimulation loss that captures the extent to which this happens, and propose that offline RL can explicitly optimize this loss to aid worst-case sample complexity. Empirically, we show that across a variety of tasks either our proposed loss improves performance, or the value of this loss is already minimized as a consequence of standard offline RL, indicating that it correlates well with good performance.

Arnav Gudibande, Eric Wallace, Charlie Snell, Xinyang Geng, Hao Liu, Pieter Abbeel, Sergey Levine, Dawn Song

An emerging method to cheaply improve a weaker language model is to finetune it on outputs from a stronger model, such as a proprietary system like ChatGPT (e.g., Alpaca, Self-Instruct, and others). In this work, we critically analyze this approach of imitating language models. We first finetune a series of LMs that imitate ChatGPT using varying base model sizes (1.5B--13B), data sources, and imitation data amounts (0.3M--150M tokens). We then evaluate the models using crowd raters and canonical NLP benchmarks. Initially, we were surprised by the output quality of our imitation models---they appear far better at following instructions, and crowd workers rate their outputs as competitive with ChatGPT. However, when conducting more targeted automatic evaluations, we find that imitation models close little to none of the gap from the base LM to ChatGPT on tasks that are not heavily supported in the imitation data. We show that these performance discrepancies may slip past human raters because imitation models are adept at mimicking ChatGPT’s style but not its factuality. Overall, we conclude that while model imitation can be useful for training models to follow instructions and avoid toxic outputs, it falls short its full promise in many ways. In particular, there exists a substantial capabilities gap between open and closed LMs that we find cannot be bridged merely by adding more imitation data. Instead, we find that fine-tuning more capable base LMs has a significantly more substantial effect on closing this gap. In turn, we argue that the higher leverage action for improving open-source models is to tackle the difficult challenge of developing better base LMs, rather than taking the shortcut of imitating proprietary systems.

Po-Chen Ko, Jiayuan Mao, Yilun Du, Shao-Hua Sun, Joshua B Tenenbaum

In this work, we present an approach to construct a video-based robot policy capable of reliably executing diverse tasks across different robots and environments from few video demonstrations without using any action annotations. Our method leverages images as a task-agnostic representation, encoding both the state and action information, and text as a general representation for specifying robot goals. By synthesizing videos that "hallucinate" robot executing actions and in combination with dense correspondences between frames, our approach can infer the closed-formed action to execute to an environment without the need of any explicit action labels. This unique capability allows us to train the policy solely based on RGB videos and deploy learned policies to various robotic tasks. We demonstrate the efficacy of our approach in learning policies on table-top manipulation and navigation tasks. Additionally, we contribute an open-source framework for efficient video modeling, enabling the training of high-fidelity policy models with four GPUs within a single day.

Social Aspects · Privacy-preserving Statistics and Machine Learning

Galen Andrew, Peter Kairouz, Sewoong Oh, Alina Oprea, H. Brendan McMahan, Vinith Suriyakumar

Privacy estimation techniques for differentially private (DP) algorithms are useful for comparing against analytical bounds, or to empirically measure privacy loss in settings where known analytical bounds are not tight. However, existing privacy auditing techniques usually make strong assumptions on the adversary (e.g., knowledge of intermediate model iterates or the training data distribution), are tailored to specific tasks, model architectures, or DP algorithm, and/or require retraining the model many times (typically on the order of thousands). These shortcomings make deploying such techniques at scale difficult in practice, especially in federated settings where model training can take days or weeks. In this work, we present a novel “one-shot” approach that can systematically address these challenges, allowing efficient auditing or estimation of the privacy loss of a model during the same, single training run used to fit model parameters, and without requiring any a priori knowledge about the model architecture, task, or DP algorithm. We show that our method provides provably correct estimates for the privacy loss under the Gaussian mechanism, and we demonstrate its performance on a well-established FL benchmark dataset under several adversarial threat models.

Deep Learning · Generative Models and Autoencoders

Xingchao Liu, Xiwen Zhang, Jianzhu Ma, Jian Peng, Qiang Liu

Diffusion models have revolutionized text-to-image generation with its exceptional quality and creativity. However, its multi-step sampling process is known to be slow, often requiring tens of inference steps to obtain satisfactory results. Previous attempts to improve its sampling speed and reduce computational costs through distillation have been unsuccessful in achieving a functional one-step model.In this paper, we explore a recent method called Rectified Flow, which, thus far, has only been applied to small datasets. The core of Rectified Flow lies in its \emph{reflow} procedure, which straightens the trajectories of probability flows, refines the coupling between noises and images, and facilitates the distillation process with student models. We propose a novel text-conditioned pipeline to turn Stable Diffusion (SD) into an ultra-fast one-step model, in which we find reflow plays a critical role in improving the assignment between noise and images. Leveraging our new pipeline, we create, to the best of our knowledge, the first one-step diffusion-based text-to-image generator with SD-level image quality, achieving an FID (Fréchet Inception Distance) of $23.3$ on MS COCO 2017-5k, surpassing the previous state-of-the-art technique, progressive distillation, by a significant margin ($37.2$ $\rightarrow$ $23.3$ in FID). By utilizing an expanded network with 1.7B parameters, we further improve the FID to $22.4$. We call our one-step models \emph{InstaFlow}. On MS COCO 2014-30k, InstaFlow yields an FID of $13.1$ in just $0.09$ second, the best in $\leq 0.1$ second regime, outperforming the recent StyleGAN-T ($13.9$ in $0.1$ second). Notably, the training of InstaFlow only costs 199 A100 GPU days. Codes and pre-trained models are available at \url{github.com/gnobitab/InstaFlow}.

Miscellaneous Aspects of Machine Learning · Causality

Krzysztof Kacprzyk, Samuel Holt, Jeroen Berrevoets, Zhaozhi Qian, Mihaela van der Schaar

Inferring unbiased treatment effects has received widespread attention in the machine learning community. In recent years, our community has proposed numerous solutions in standard settings, high-dimensional treatment settings, and even longitudinal settings. While very diverse, the solution has mostly relied on neural networks for inference and simultaneous correction of assignment bias. New approaches typically build on top of previous approaches by proposing new (or refined) architectures and learning algorithms. However, the end result—a neural-network-based inference machine—remains unchallenged. In this paper, we introduce a different type of solution in the longitudinal setting: a closed-form ordinary differential equation (ODE). While we still rely on continuous optimization to learn an ODE, the resulting inference machine is no longer a neural network. Doing so yields several advantages such as interpretability, irregular sampling, and a different set of identification assumptions. Above all, we consider the introduction of a completely new type of solution to be our most important contribution as it may spark entirely new innovations in treatment effects in general. We facilitate this by formulating our contribution as a framework that can transform any ODE discovery method into a treatment effects method.

Deep Learning · Large Language Models

Hao Sun, Alihan Hüyük, Mihaela van der Schaar

In this study, we aim to enhance the arithmetic reasoning ability of Large Language Models (LLMs) through zero-shot prompt optimization. We identify a previously overlooked objective of query dependency in such optimization and elucidate two ensuing challenges that impede the successful and economical design of prompt optimization techniques. One primary issue is the absence of an effective method to evaluate prompts during inference when the golden answer is unavailable. Concurrently, learning via interactions with the LLMs to navigate the expansive natural language prompting space proves to be resource-intensive.To address this, we introduce Prompt-OIRL, which harnesses offline inverse reinforcement learning to draw insights from offline prompting demonstration data. Such data exists as by-products when diverse prompts are benchmarked on open-accessible datasets. With Prompt-OIRL, the query-dependent prompt optimization objective is achieved by first learning an offline reward model. This model can evaluate any query-prompt pairs without accessing LLMs. Subsequently, a best-of-N strategy is deployed to recommend the optimal prompt. Our experimental evaluations across various LLM scales and arithmetic reasoning datasets underscore both the efficacy and economic viability of the proposed approach.

Deep Learning · Theory

Margalit Glasgow

In this work, we consider the optimization process of minibatch stochastic gradient descent (SGD) on a 2-layer neural network with data separated by a quadratic ground truth function. We prove that with data drawn from the Boolean hypercube labeled by the quadratic ``XOR'' function $y = -x_ix_j$ , it is possible to train to a population error $o(1)$ with $\Theta(d\text{polylog}(d))$ samples. Our result considers simultaneously training both layers of the two-layer-neural network with ReLU activations via standard minibatch SGD on the logistic loss. To our knowledge, this work is the first to give a sample complexity of for efficiently learning the XOR function on isotropic data on a standard neural network with standard training. Our main technique is showing that the network evolves in two phases: a \em signal-finding \em phase where the network is small and many of the neurons evolve independently to find features, and a \em signal-heavy \em phase, where SGD maintains and balances the features. We leverage the simultaneous training of the layers to show that it is sufficient for only a small fraction of the neurons to learn features, since those neurons will be amplified by the simultaneous growth of their second layer weights.

Applications · Language, Speech and Dialog

Qi Yan, Raihan Seraj, Jiawei He, Lili Meng, Tristan Sylvain

Machine-based prediction of real-world events is garnering attention due to its potential for informed decision-making. Whereas traditional forecasting predominantly hinges on structured data like time-series, recent breakthroughs in language models enable predictions using unstructured text. In particular, (Zou et al., 2022) unveils AutoCast, a new benchmark that employs news articles for answering forecasting queries. Nevertheless, existing methods still trail behind human performance. The cornerstone of accurate forecasting, we argue, lies in identifying a concise, yet rich subset of news snippets from a vast corpus. With this motivation, we introduce AutoCast++, a zero-shot ranking-based context retrieval system, tailored to sift through expansive news document collections for event forecasting. Our approach first re-ranks articles based on zero-shot question-passage relevance, honing in on semantically pertinent news. Following this, the chosen articles are subjected to zero-shot summarization to attain succinct context. Leveraging a pre-trained language model, we conduct both the relevance evaluation and article summarization without needing domain-specific training. Notably, recent articles can sometimes be at odds with preceding ones due to new facts or unanticipated incidents, leading to fluctuating temporal dynamics. To tackle this, our re-ranking mechanism gives preference to more recent articles, and we further regularize the multi-passage representation learning to align with human forecaster responses made on different dates. Empirical results underscore marked improvements across multiple metrics, improving the performance for multiple-choice questions (MCQ) by 48% and true/false (TF) questions by up to 8%. Code is available at https://github.com/BorealisAI/Autocast-plus-plus.

Deep Learning · Large Language Models

Changmao Li, Jeffrey Flanigan

Predicting the future is of great interest across many aspects of human activity. Businesses are interested in future trends, traders are interested in future stock prices, and companies are highly interested in future technological breakthroughs. While there are many automated systems for predicting future numerical data, such as weather, stock prices, and demand for products, there is relatively little work in automatically predicting textual data. Humans are interested in textual data predictions because it is a natural format for our consumption, and experts routinely make predictions in a textual format (Christensen et al., 2004; Tetlock & Gardner, 2015; Frick, 2015). However, there has been relatively little formalization of this general problem in the machine learning or natural language processing communities. To address this gap, we introduce the task of future language modeling: probabilistic modeling of texts in the future based on a temporal history of texts. To our knowledge, our work is the first work to formalize the task of predicting the future in this way. We show that it is indeed possible to build future language models that improve upon strong non-temporal language model baselines, opening the door to working on this important, and widely applicable problem.

Deep Learning · Generative Models and Autoencoders

Joey Bose, Tara Akhound-Sadegh, Guillaume Huguet, Kilian FATRAS, Jarrid Rector-Brooks, Chenghao Liu, Andrei Nica, Maksym Korablyov, Michael Bronstein, Alexander Tong

The computational design of novel protein structures has the potential to impact numerous scientific disciplines greatly. Toward this goal, we introduce \foldflow, a series of novel generative models of increasing modeling power based on the flow-matching paradigm over $3\mathrm{D}$ rigid motions---i.e. the group $\mathrm{SE(3)}$---enabling accurate modeling of protein backbones. We first introduce $\text{FoldFlow-Base}$, a simulation-free approach to learning deterministic continuous-time dynamics and matching invariant target distributions on $\mathrm{SE(3)}$. We next accelerate training by incorporating Riemannian optimal transport to create $\text{FoldFlow-OT}$, leading to the construction of both more simple and stable flows. Finally, we design \foldflowsfm, coupling both Riemannian OT and simulation-free training to learn stochastic continuous-time dynamics over $\mathrm{SE(3)}$. Our family of $\text{FoldFlow}$, generative models offers several key advantages over previous approaches to the generative modeling of proteins: they are more stable and faster to train than diffusion-based approaches, and our models enjoy the ability to map any invariant source distribution to any invariant target distribution over $\mathrm{SE(3)}$. Empirically, we validate $\text{FoldFlow}$, on protein backbone generation of up to $300$ amino acids leading to high-quality designable, diverse, and novel samples.

Deep Learning · Robustness

Yongtao Wu, Fanghui Liu, Carl-Johann Simon-Gabriel, Grigorios Chrysos, Volkan Cevher

Recent developments in neural architecture search (NAS) emphasize the significance of considering robust architectures against malicious data. However, there is a notable absence of benchmark evaluations and theoretical guarantees for searching these robust architectures, especially when adversarial training is considered. In this work, we aim to address these two challenges, making twofold contributions. First, we release a comprehensive data set that encompasses both clean accuracy and robust accuracy for a vast array of adversarially trained networks from the NAS-Bench-201 search space on image datasets. Then, leveraging the neural tangent kernel (NTK) tool from deep learning theory, we establish a generalization theory for searching architecture in terms of clean accuracy and robust accuracy under multi-objective adversarial training. We firmly believe that our benchmark and theoretical insights will significantly benefit the NAS community through reliable reproducibility, efficient assessment, and theoretical foundation, particularly in the pursuit of robust architectures.