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Miscellaneous Aspects of Machine Learning/Everything Else

Mark Mazumder, Colby Banbury, Xiaozhe Yao, Bojan Karlaš, William Gaviria Rojas, Sudnya Diamos, Greg Diamos, Lynn He, Alicia Parrish, Hannah Rose Kirk 等

Machine learning research has long focused on models rather than datasets, and prominent datasets are used for common ML tasks without regard to the breadth, difficulty, and faithfulness of the underlying problems. Neglecting the fundamental importance of data has given rise to inaccuracy, bias, and fragility in real-world applications, and research is hindered by saturation across existing dataset benchmarks. In response, we present DataPerf, a community-led benchmark suite for evaluating ML datasets and data-centric algorithms. We aim to foster innovation in data-centric AI through competition, comparability, and reproducibility. We enable the ML community to iterate on datasets, instead of just architectures, and we provide an open, online platform with multiple rounds of challenges to support this iterative development. The first iteration of DataPerf contains five benchmarks covering a wide spectrum of data-centric techniques, tasks, and modalities in vision, speech, acquisition, debugging, and diffusion prompting, and we support hosting new contributed benchmarks from the community. The benchmarks, online evaluation platform, and baseline implementations are open source, and the MLCommons Association will maintain DataPerf to ensure long-term benefits to academia and industry.

Applications/Everything Else

Ye Yuan, Can (Sam) Chen, Zixuan Liu, Willie Neiswanger, Xue (Steve) Liu

Offline model-based optimization aims to find a design that maximizes a property of interest using only an offline dataset, with applications in robot, protein, and molecule design, among others. A prevalent approach is gradient ascent, where a proxy model is trained on the offline dataset and then used to optimize the design. This method suffers from an out-of-distribution issue, where the proxy is not accurate for unseen designs. To mitigate this issue, we explore using a pseudo-labeler to generate valuable data for fine-tuning the proxy. Specifically, we propose $\textit{\textbf{I}mportance-aware \textbf{C}o-\textbf{T}eaching for Offline Model-based Optimization}~(\textbf{ICT})$. This method maintains three symmetric proxies with their mean ensemble as the final proxy, and comprises two steps. The first step is $\textit{pseudo-label-driven co-teaching}$. In this step, one proxy is iteratively selected as the pseudo-labeler for designs near the current optimization point, generating pseudo-labeled data. Subsequently, a co-teaching process identifies small-loss samples as valuable data and exchanges them between the other two proxies for fine-tuning, promoting knowledge transfer. This procedure is repeated three times, with a different proxy chosen as the pseudo-labeler each time, ultimately enhancing the ensemble performance.To further improve accuracy of pseudo-labels, we perform a secondary step of $\textit{meta-learning-based sample reweighting}$,which assigns importance weights to samples in the pseudo-labeled dataset and updates them via meta-learning. ICT achieves state-of-the-art results across multiple design-bench tasks, achieving the best mean rank $3.1$ and median rank $2$ among $15$ methods.Our source code can be accessed here.

Deep Learning/Everything Else

Tim Dettmers, Artidoro Pagnoni, Ari Holtzman, Luke Zettlemoyer

We present QLoRA, an efficient finetuning approach that reduces memory usage enough to finetune a 65B parameter model on a single 48GB GPU while preserving full 16-bit finetuning task performance. QLoRA backpropagates gradients through a frozen, 4-bit quantized pretrained language model into Low Rank Adapters~(LoRA). Our best model family, which we name Guanaco, outperforms all previous openly released models on the Vicuna benchmark, reaching 99.3% of the performance level of ChatGPT while only requiring 24 hours of finetuning on a single GPU. QLoRA introduces a number of innovations to save memory without sacrificing performance: (a) 4-bit NormalFloat (NF4), a new data type that is information-theoretically optimal for normally distributed weights (b) Double Quantization to reduce the average memory footprint by quantizing the quantization constants, and (c) Paged Optimziers to manage memory spikes. We use QLoRA to finetune more than 1,000 models, providing a detailed analysis of instruction following and chatbot performance across 8 instruction datasets, multiple model types (LLaMA, T5), and model scales that would be infeasible to run with regular finetuning (e.g. 33B and 65B parameter models). Our results show that QLoRA finetuning on a small, high-quality dataset leads to state-of-the-art results, even when using smaller models than the previous SoTA. We provide a detailed analysis of chatbot performance based on both human and GPT-4 evaluations, showing that GPT-4 evaluations are a cheap and reasonable alternative to human evaluation. Furthermore, we find that current chatbot benchmarks are not trustworthy to accurately evaluate the performance levels of chatbots. A lemon-picked analysis demonstrates where Guanaco fails compared to ChatGPT. We release all of our models and code, including CUDA kernels for 4-bit training.

Reinforcement Learning/Everything Else

Arnaud Robert, Ciara Pike-Burke, Aldo Faisal

Hierarchical Reinforcement Learning (HRL) algorithms can perform planning at multiple levels of abstraction. Empirical results have shown that state or temporal abstractions might significantly improve the sample efficiency of algorithms. Yet, we still do not have a complete understanding of the basis of those efficiency gains nor any theoretically grounded design rules. In this paper, we derive a lower bound on the sample complexity for the considered class of goal-conditioned HRL algorithms. The proposed lower bound empowers us to quantify the benefits of hierarchical decomposition and leads to the design of a simple Q-learning-type algorithm that leverages hierarchical decompositions. We empirically validate our theoretical findings by investigating the sample complexity of the proposed hierarchical algorithm on a spectrum of tasks (hierarchical $n$-rooms, Gymnasium's Taxi). The hierarchical $n$-rooms tasks were designed to allow us to dial their complexity over multiple orders of magnitude. Our theory and algorithmic findings provide a step towards answering the foundational question of quantifying the improvement hierarchical decomposition offers over monolithic solutions in reinforcement learning.

Applications/Everything Else

Christopher Rawles, Alice Li, Daniel Rodriguez, Oriana Riva, Timothy Lillicrap

There is a growing interest in device-control systems that can interpret human natural language instructions and execute them on a digital device by directly controlling its user interface. We present a dataset for device-control research, Android in the Wild (AitW), which is orders of magnitude larger than current datasets. The dataset contains human demonstrations of device interactions, including the screens and actions, and corresponding natural language instructions. It consists of 715k episodes spanning 30k unique instructions, four versions of Android (v10–13), and eight device types (Pixel 2 XL to Pixel 6) with varying screen resolutions. It contains multi-step tasks that require semantic understanding of language and visual context. This dataset poses a new challenge: actions available through the user interface must be inferred from their visual appearance, and, instead of simple UI element-based actions, the action space consists of precise gestures (e.g., horizontal scrolls to operate carousel widgets). We organize our dataset to encourage robustness analysis of device-control systems, i.e., how well a system performs in the presence of new task descriptions, new applications, or new platform versions. We develop two agents and report performance across the dataset. The dataset is available at https://github.com/google-research/google-research/tree/master/android_in_the_wild.

Deep Learning/Everything Else

Emile van Krieken, Thiviyan Thanapalasingam, Jakub Tomczak, Frank van Harmelen, Annette Ten Teije

We study the problem of combining neural networks with symbolic reasoning. Recently introduced frameworks for Probabilistic Neurosymbolic Learning (PNL), such as DeepProbLog, perform exponential-time exact inference, limiting the scalability of PNL solutions. We introduce Approximate Neurosymbolic Inference (A-NeSI): a new framework for PNL that uses neural networks for scalable approximate inference. A-NeSI 1) performs approximate inference in polynomial time without changing the semantics of probabilistic logics; 2) is trained using data generated by the background knowledge; 3) can generate symbolic explanations of predictions; and 4) can guarantee the satisfaction of logical constraints at test time, which is vital in safety-critical applications. Our experiments show that A-NeSI is the first end-to-end method to solve three neurosymbolic tasks with exponential combinatorial scaling. Finally, our experiments show that A-NeSI achieves explainability and safety without a penalty in performance.

Reinforcement Learning/Everything Else

Wei Fu, Weihua Du, Jingwei Li, Sunli Chen, Jingzhao Zhang, YI WU

In complex reinforcement learning (RL) problems, policies with similar rewards may have substantially different behaviors. It remains a fundamental challenge to optimize rewards while also discovering as many *diverse* strategies as possible, which can be crucial in many practical applications. Our study examines two design choices for tackling this challenge, i.e., *diversity measure* and *computation framework*. First, we find that with existing diversity measures, visually indistinguishable policies can still yield high diversity scores. To accurately capture the behavioral difference, we propose to incorporate the state-space distance information into the diversity measure. In addition, we examine two common computation frameworks for this problem, i.e., population-based training (PBT) and iterative learning (ITR). We show that although PBT is the precise problem formulation, ITR can achieve comparable diversity scores with higher computation efficiency, leading to improved solution quality in practice. Based on our analysis, we further combine ITR with two tractable realizations of the state-distance-based diversity measures and develop a novel diversity-driven RL algorithm, *State-based Intrinsic-reward Policy Optimization* (SIPO), with provable convergence properties. We empirically examine SIPO across three domains from robot locomotion to multi-agent games. In all of our testing environments, SIPO consistently produces strategically diverse and human-interpretable policies that cannot be discovered by existing baselines.

Applications/Everything Else

Jungtaek Kim, Mingxuan Li, Oliver Hinder, Paul Leu

Nanophotonic structures have versatile applications including solar cells, anti-reflective coatings, electromagnetic interference shielding, optical filters, and light emitting diodes. To design and understand these nanophotonic structures, electrodynamic simulations are essential. These simulations enable us to model electromagnetic fields over time and calculate optical properties. In this work, we introduce frameworks and benchmarks to evaluate nanophotonic structures in the context of parametric structure design problems. The benchmarks are instrumental in assessing the performance of optimization algorithms and identifying an optimal structure based on target optical properties. Moreover, we explore the impact of varying grid sizes in electrodynamic simulations, shedding light on how evaluation fidelity can be strategically leveraged in enhancing structure designs.

Deep Learning/Everything Else

Eric Michaud, Ziming Liu, Uzay Girit, Max Tegmark

We propose the Quantization Model of neural scaling laws, explaining both the observed power law dropoff of loss with model and data size, and also the sudden emergence of new capabilities with scale. We derive this model from what we call the Quantization Hypothesis, where network knowledge and skills are "quantized" into discrete chunks (quanta). We show that when quanta are learned in order of decreasing use frequency, then a power law in use frequencies explains observed power law scaling of loss. We validate this prediction on toy datasets, then study how scaling curves decompose for large language models. Using language model gradients, we automatically decompose model behavior into a diverse set of skills (quanta). We tentatively find that the frequency at which these quanta are used in the training distribution roughly follows a power law corresponding with the empirical scaling exponent for language models, a prediction of our theory.

Miscellaneous Aspects of Machine Learning/Everything Else

Robin Sasse, Aniek Eijpe, Jona Ruthardt, Elias Dubbeldam

Scope of Reproducibility — CartoonX [1] is a novel explanation method for image classifiers. In this reproducibility study, we examine the claims of the original authors of CartoonX that it: (i) extracts relevant piece‐wise smooth parts of the image, resulting in explanations which are more straightforward to interpret for humans; (ii) achieves lower distortion in the model output, using fewer coefficients than other state-of‐the‐art methods; (iii) is model‐agnostic. Finally, we examine how to reduce the runtime.Methodology — The original authors’ open‐sourced implementation has been used to examine (i). We implemented the code to examine (ii), as there was no public code available for this. We tested claim (iii) by performing the same experiments with a Vision Transformer instead of a CNN. To reduce the runtime, we extended the existing implementation with multiple enhanced initialization techniques. All experiments took approximately 38.4 hours on a single NVIDIA Titan RTX.Results — Our results support the claims made by the original authors. (i) We observe that CartoonX produces piece‐wise smooth explanations. Most of the explanations give valuable insights. (ii) Most experiments, that show how CartoonX achieves lower distortion outputs compared to other methods, have been reproduced. In the cases where exact reproducibility has not been achieved, claim (ii) of the author still holds. (iii) The model‐agnosticism claim still holds as the overall quality of the ViT‐based explanations almost matches that of the CNN‐based explanations. Finally, simple heuristical initializations did not improve the runtime.What was easy — The mathematical background and intuition of CartoonX were clearly explained by the original authors. Moreover, the original author’s code was well structured and documented, which made it straightforward to run and extend.What was difficult — Some hyperparameter settings and implementation details needed to reproduce the experiments were not clear or transparent from the original paper or code. This made it difficult to implement and reproduce these experiments.Communication with original authors — We have been in brief communication with the original authors. They were able to address most of our points, providing us with some additional clarifications about the exact implementation and hyperparameter settings.

Optimization/Everything Else

Arun Jambulapati, Jerry Li, Christopher Musco, Kirankumar Shiragur, Aaron Sidford, Kevin Tian

We develop a general framework for finding approximately-optimal preconditioners for solving linear systems. Leveraging this framework we obtain improved runtimes for fundamental preconditioning and linear system solving problems including:Diagonal preconditioning. We give an algorithm which, given positive definite $\mathbf{K} \in \mathbb{R}^{d \times d}$ with $\mathrm{nnz}(\mathbf{K})$ nonzero entries, computes an $\epsilon$-optimal diagonal preconditioner in time $\widetilde{O}(\mathrm{nnz}(\mathbf{K}) \cdot \mathrm{poly}(\kappa^\star,\epsilon^{-1}))$, where $\kappa^\star$ is the optimal condition number of the rescaled matrix.Structured linear systems. We give an algorithm which, given $\mathbf{M} \in \mathbb{R}^{d \times d}$ that is either the pseudoinverse of a graph Laplacian matrix or a constant spectral approximation of one, solves linear systems in $\mathbf{M}$ in $\widetilde{O}(d^2)$ time. Our diagonal preconditioning results improve state-of-the-art runtimes of $\Omega(d^{3.5})$ attained by general-purpose semidefinite programming, and our solvers improve state-of-the-art runtimes of $\Omega(d^{\omega})$ where $\omega > 2.3$ is the current matrix multiplication constant. We attain our results via new algorithms for a class of semidefinite programs (SDPs) we call matrix-dictionary approximation SDPs, which we leverage to solve an associated problem we call matrix-dictionary recovery.

Applications/Everything Else

Di Huang, Ziyuan Nan, Xing Hu, Pengwei Jin, Shaohui Peng, Yuanbo Wen, Rui Zhang, Zidong Du, Qi Guo, Yewen Pu 等

Though LLMs are capable of generating plausible programs, it’s challenging to interact with the LLMs further to revise the program, especially if the user’s specific requirements are different from the initial proposal. In this paper, we introduce ANPL, an interactive programming system that ensures users can always refine the generated code towards their specific programmatic intents via structureddecompositions. Borrowing the paradigm of sketching from program synthesis, an ANPL program consists of a set of input-outputs that it must satisfy, a “sketch” — control/data flow expressed in precise code (e.g. Python), and “holes” — sub-modules to be implemented by the LLM specified with natural language. The user revises an ANPL program by either modifying the sketch, changing the language used to describe the holes, or providing additional input-outputs to a particular hole, turning it into a sub-ANPL program that can be solved recursively. This workflow allows the users to offload programming burdens to the LLM as much as possible while retaining the ability to pinpoint and resolve bugs locally, without exposing the rest of the program to the LLM. We deploy ANPL on the Abstraction and Reasoning Corpus (ARC), a set of unique tasks that are challenging for state-of-the-art AI systems, showing it outperforms baseline programming systems that (a) without the ability to decompose tasks interactively and (b) without the guarantee that the modules can be correctly composed together. Additional evaluations on APPS, HumanEval, and real-world programming tasks have validated that the ANPL framework is applicable to multiple programming domains. We release the ANPL solutions to the ARC tasks as a dataset, providing insights into how humans decompose novel tasks programmatically.

Deep Learning/Everything Else

Albert Sund Aillet, Simon Sondén

The main claim of the paper being reproduced is that the proposed Variational Neural Cellular Automata (VNCA) architecture, composed of a convolutional encoder and a Neural Cellular Automata (NCA)-based decoder, is able to generate high-quality samples.The paper presents two variants of this VNCA decoder: the doubling VNCA variant that is claimed to have a simple latent space, and the non-doubling VNCA variant that is claimed to be optimized for damage recovery and stability over many steps.To reproduce the results, we re-implemented all of the VNCA models and a fully-convolutional baseline in JAX, by using the descriptions given in the paper. We then followed the same experimental setup and hyperparameter choices as in the original paper. All of the models were trained on a TPU v3-8 provided by Kaggle, with a total budget of around 4 TPU hours, not counting unreported experiments.All but one of the figures and results from the original study were possible to reproduce. The obtained Evidence Lower Bound (ELBO) of the doubling VNCA was within $0.3\%$ of the stated and for the non-doubling VNCA the ELBO was within $1.8\%$ and the observed damage recovery was similar. We were however not able to reproduce the t-SNE reduction experiment for the baseline and were therefore not able to show the VNCA decoder having a cleaner t-SNE separation than the baseline.The implementation of the convolutional baseline and most parts of the NCA-based decoder were straightforward to re-implement based on the description provided in the paper.One of the difficulties faced in the reproduction study was obtaining the labels of the binarized MNIST dataset used in the original paper since it officially is provided without labels. This made it unclear how the original paper got the labels for the latent space visualization. Additionally, implementing the pool for the non-doubling version of the VNCA model with a distributed training setup was challenging as it required operations between TPU cores.No communication was made with the original authors.

Deep Learning/Everything Else

Tommaso Martorella, Hector Manuel Ramirez Contreras, Daniel Garcia

Neural networks have become very common in machine learning, and new problems and trends arise as the trade-off between theory, computational tools and real-world problems become more narrow and complex. We decided to retake the influence of the ReLU'(0) on the backpropagation as it has become more common to use lower floating point precisions in the GPUs so that more tasks can run in parallel and make training and inference more efficient. As opposed to what theory suggests, the original authors shown that when using 16- and 32-bit precision, the value of ReLU'(0) may influence the result. In this work we extended some experiments to see how the training and test loss are affected in simple and more complex models.

Applications/Everything Else

Fuqi Jia, Yuhang Dong, Minghao Liu, Pei Huang, Feifei Ma, Jian Zhang

Cylindrical Algebraic Decomposition (CAD) is one of the pillar algorithms of symbolic computation, and its worst-case complexity is double exponential to the number of variables. Researchers found that variable order dramatically affects efficiency and proposed various heuristics. The existing learning-based methods are all supervised learning methods that cannot cope with diverse polynomial sets.This paper proposes two Reinforcement Learning (RL) approaches combined with Graph Neural Networks (GNN) for Suggesting Variable Order (SVO). One is GRL-SVO(UP), a branching heuristic integrated with CAD. The other is GRL-SVO(NUP), a fast heuristic providing a total order directly. We generate a random dataset and collect a real-world dataset from SMT-LIB. The experiments show that our approaches outperform state-of-the-art learning-based heuristics and are competitive with the best expert-based heuristics. Interestingly, our models show a strong generalization ability, working well on various datasets even if they are only trained on a 3-var random dataset. The source code and data are available at https://github.com/dongyuhang22/GRL-SVO.

Deep Learning/Everything Else

Jianhao Zhang, Shihan Ma, Peihong Liu, Jinhui Yuan

Tensor rematerialization allows the training of deep neural networks (DNNs) under limited memory budgets by checkpointing the models and recomputing the evicted tensors as needed. However, the existing tensor rematerialization techniques overlook the memory system in deep learning frameworks and implicitly assume that free memory blocks at different addresses are identical. Under this flawed assumption, discontiguous tensors are evicted, among which some are not used to allocate the new tensor. This leads to severe memory fragmentation and increases the cost of potential rematerializations.To address this issue, we propose to evict tensors within a sliding window to ensure all evictions are contiguous and are immediately used. Furthermore, we proposed cheap tensor partitioning and recomputable in-place to further reduce the rematerialization cost by optimizing the tensor allocation.We named our method Coop as it is a co-optimization of tensor allocation and tensor rematerialization. We evaluated Coop on eight representative DNNs. The experimental results demonstrate that Coop achieves up to $2\times$ memory saving and hugely reduces compute overhead, search latency, and memory fragmentation compared to the state-of-the-art baselines.

Reinforcement Learning/Everything Else

Huiqiao Fu, Kaiqiang Tang, Yuanyang Lu, Yiming Qi, Guizhou Deng, Flood Sung, Chunlin Chen

Imitation learning aims to reproduce expert behaviors without relying on an explicit reward signal. However, real-world demonstrations often present challenges, such as multi-modal, data imbalance, and expensive labeling processes. In this work, we propose a novel semi-supervised imitation learning architecture that learns disentangled behavior representations from imbalanced demonstrations using limited labeled data. Specifically, our method consists of three key components. First, we adapt the concept of semi-supervised generative adversarial networks to the imitation learning context. Second, we employ a learnable latent distribution to align the generated and expert data distributions. Finally, we utilize a regularized information maximization approach in conjunction with an approximate label prior to further improve the semi-supervised learning performance. Experimental results demonstrate the efficiency of our method in learning multi-modal behaviors from imbalanced demonstrations compared to baseline methods.

Deep Learning/Everything Else

Hanlin Chen, Chen Li, Mengqi Guo, Zhiwen Yan, Gim Hee Lee

3D scene segmentation based on neural implicit representation has emerged recently with the advantage of training only on 2D supervision. However, existing approaches still requires expensive per-scene optimization that prohibits generalization to novel scenes during inference. To circumvent this problem, we introduce a \textit{generalizable} 3D segmentation framework based on implicit representation. Specifically, our framework takes in multi-view image features and semantic maps as the inputs instead of only spatial information to avoid overfitting to scene-specific geometric and semantic information. We propose a novel soft voting mechanism to aggregate the 2D semantic information from different views for each 3D point. In addition to the image features, view difference information is also encoded in our framework to predict the voting scores. Intuitively, this allows the semantic information from nearby views to contribute more compared to distant ones. Furthermore, a visibility module is also designed to detect and filter out detrimental information from occluded views. Due to the generalizability of our proposed method, we can synthesize semantic maps or conduct 3D semantic segmentation for novel scenes with solely 2D semantic supervision. Experimental results show that our approach achieves comparable performance with scene-specific approaches. More importantly, our approach can even outperform existing strong supervision-based approaches with only 2D annotations.

Applications/Everything Else

Kexun Zhang, Danqing Wang, Jingtao Xia, William Yang Wang, Lei Li

Large language models (LLMs) excel at implementing code from functionality descriptions but struggle with algorithmic problems that require not only implementation but also identification of the suitable algorithm. Moreover, LLM-generated programs lack guaranteed correctness and require human verification. To address these challenges, we propose ALGO, a framework that synthesizes Algorithmic programs with LLM-Generated Oracles to guide the generation and verify their correctness. ALGO first generates a reference oracle by prompting an LLM to exhaustively enumerate all the combinations of relevant variables. This oracle is then utilized to guide an arbitrary search strategy in exploring the algorithm space and to verify the synthesized algorithms. Our study shows that the LLM-generatedoracles are correct for 88% of the cases. With the oracles as verifiers, ALGO can be integrated with any existing code generation model in a model-agnostic manner to enhance its performance. Experiments show that when equipped with ALGO, we achieve an 8× better one-submission pass rate over the Codex model and a 2.6× better one-submission pass rate over CodeT, the current state-of-the-art model on CodeContests. We can also get 1.3× better pass rate over the ChatGPT Code Interpreter on unseen problems. The problem set we used for testing, the prompts we used, the verifier and solution programs, and the test cases generated by ALGOare available at https://github.com/zkx06111/ALGO.

Probabilistic Methods/Everything Else

Paweł Czyż, Frederic Grabowski, Julia Vogt, Niko Beerenwinkel, Alexander Marx

Mutual information is a general statistical dependency measure which has found applications in representation learning, causality, domain generalization and computational biology. However, mutual information estimators are typically evaluated on simple families of probability distributions, namely multivariate normal distribution and selected distributions with one-dimensional random variables. In this paper, we show how to construct a diverse family of distributions with known ground-truth mutual information and propose a language-independent benchmarking platform for mutual information estimators. We discuss the general applicability and limitations of classical and neural estimators in settings involving high dimensions, sparse interactions, long-tailed distributions, and high mutual information. Finally, we provide guidelines for practitioners on how to select appropriate estimator adapted to the difficulty of problem considered and issues one needs to consider when applying an estimator to a new data set.