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Aug 13

GemNet-OC: Developing Graph Neural Networks for Large and Diverse Molecular Simulation Datasets

Recent years have seen the advent of molecular simulation datasets that are orders of magnitude larger and more diverse. These new datasets differ substantially in four aspects of complexity: 1. Chemical diversity (number of different elements), 2. system size (number of atoms per sample), 3. dataset size (number of data samples), and 4. domain shift (similarity of the training and test set). Despite these large differences, benchmarks on small and narrow datasets remain the predominant method of demonstrating progress in graph neural networks (GNNs) for molecular simulation, likely due to cheaper training compute requirements. This raises the question -- does GNN progress on small and narrow datasets translate to these more complex datasets? This work investigates this question by first developing the GemNet-OC model based on the large Open Catalyst 2020 (OC20) dataset. GemNet-OC outperforms the previous state-of-the-art on OC20 by 16% while reducing training time by a factor of 10. We then compare the impact of 18 model components and hyperparameter choices on performance in multiple datasets. We find that the resulting model would be drastically different depending on the dataset used for making model choices. To isolate the source of this discrepancy we study six subsets of the OC20 dataset that individually test each of the above-mentioned four dataset aspects. We find that results on the OC-2M subset correlate well with the full OC20 dataset while being substantially cheaper to train on. Our findings challenge the common practice of developing GNNs solely on small datasets, but highlight ways of achieving fast development cycles and generalizable results via moderately-sized, representative datasets such as OC-2M and efficient models such as GemNet-OC. Our code and pretrained model weights are open-sourced.

Evaluation data contamination in LLMs: how do we measure it and (when) does it matter?

Hampering the interpretation of benchmark scores, evaluation data contamination has become a growing concern in the evaluation of LLMs, and an active area of research studies its effects. While evaluation data contamination is easily understood intuitively, it is surprisingly difficult to define precisely which samples should be considered contaminated and, consequently, how it impacts benchmark scores. We propose that these questions should be addressed together and that contamination metrics can be assessed based on whether models benefit from the examples they mark contaminated. We propose a novel analysis method called ConTAM, and show with a large scale survey of existing and novel n-gram based contamination metrics across 13 benchmarks and 7 models from 2 different families that ConTAM can be used to better understand evaluation data contamination and its effects. We find that contamination may have a much larger effect than reported in recent LLM releases and benefits models differently at different scales. We also find that considering only the longest contaminated substring provides a better signal than considering a union of all contaminated substrings, and that doing model and benchmark specific threshold analysis greatly increases the specificity of the results. Lastly, we investigate the impact of hyperparameter choices, finding that, among other things, both using larger values of n and disregarding matches that are infrequent in the pre-training data lead to many false negatives. With ConTAM, we provide a method to empirically ground evaluation data contamination metrics in downstream effects. With our exploration, we shed light on how evaluation data contamination can impact LLMs and provide insight into the considerations important when doing contamination analysis. We end our paper by discussing these in more detail and providing concrete suggestions for future work.

Hyperparameters in Reinforcement Learning and How To Tune Them

In order to improve reproducibility, deep reinforcement learning (RL) has been adopting better scientific practices such as standardized evaluation metrics and reporting. However, the process of hyperparameter optimization still varies widely across papers, which makes it challenging to compare RL algorithms fairly. In this paper, we show that hyperparameter choices in RL can significantly affect the agent's final performance and sample efficiency, and that the hyperparameter landscape can strongly depend on the tuning seed which may lead to overfitting. We therefore propose adopting established best practices from AutoML, such as the separation of tuning and testing seeds, as well as principled hyperparameter optimization (HPO) across a broad search space. We support this by comparing multiple state-of-the-art HPO tools on a range of RL algorithms and environments to their hand-tuned counterparts, demonstrating that HPO approaches often have higher performance and lower compute overhead. As a result of our findings, we recommend a set of best practices for the RL community, which should result in stronger empirical results with fewer computational costs, better reproducibility, and thus faster progress. In order to encourage the adoption of these practices, we provide plug-and-play implementations of the tuning algorithms used in this paper at https://github.com/facebookresearch/how-to-autorl.

Free Lunch: Robust Cross-Lingual Transfer via Model Checkpoint Averaging

Massively multilingual language models have displayed strong performance in zero-shot (ZS-XLT) and few-shot (FS-XLT) cross-lingual transfer setups, where models fine-tuned on task data in a source language are transferred without any or with only a few annotated instances to the target language(s). However, current work typically overestimates model performance as fine-tuned models are frequently evaluated at model checkpoints that generalize best to validation instances in the target languages. This effectively violates the main assumptions of "true" ZS-XLT and FS-XLT. Such XLT setups require robust methods that do not depend on labeled target language data for validation and model selection. In this work, aiming to improve the robustness of "true" ZS-XLT and FS-XLT, we propose a simple and effective method that averages different checkpoints (i.e., model snapshots) during task fine-tuning. We conduct exhaustive ZS-XLT and FS-XLT experiments across higher-level semantic tasks (NLI, extractive QA) and lower-level token classification tasks (NER, POS). The results indicate that averaging model checkpoints yields systematic and consistent performance gains across diverse target languages in all tasks. Importantly, it simultaneously substantially desensitizes XLT to varying hyperparameter choices in the absence of target language validation. We also show that checkpoint averaging benefits performance when further combined with run averaging (i.e., averaging the parameters of models fine-tuned over independent runs).

EXAdam: The Power of Adaptive Cross-Moments

This paper introduces EXAdam (EXtended Adam), a novel optimization algorithm that builds upon the widely-used Adam optimizer. EXAdam incorporates three key enhancements: (1) new debiasing terms for improved moment estimation, (2) a gradient-based acceleration mechanism for increased responsiveness to the current loss landscape, and (3) a dynamic step size formula that allows for continuous growth of the learning rate throughout training. These innovations work synergistically to address limitations of the original Adam algorithm, potentially offering improved convergence properties, enhanced ability to escape saddle points, and greater robustness to hyperparameter choices. I provide a theoretical analysis of EXAdam's components and their interactions, highlighting the algorithm's potential advantages in navigating complex optimization landscapes. Empirical evaluations demonstrate EXAdam's superiority over Adam, achieving 48.07% faster convergence and yielding improvements of 4.6%, 4.13%, and 2.39% in training, validation, and testing accuracies, respectively, when applied to a CNN trained on the CIFAR-10 dataset. While these results are promising, further empirical validation across diverse tasks is essential to fully gauge EXAdam's efficacy. Nevertheless, EXAdam represents a significant advancement in adaptive optimization techniques, with promising implications for a wide range of machine learning applications. This work aims to contribute to the ongoing development of more efficient, adaptive, and universally applicable optimization methods in the field of machine learning and artificial intelligence.

Magnitude Invariant Parametrizations Improve Hypernetwork Learning

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

IMAGINATOR: Pre-Trained Image+Text Joint Embeddings using Word-Level Grounding of Images

Word embeddings, i.e., semantically meaningful vector representation of words, are largely influenced by the distributional hypothesis "You shall know a word by the company it keeps" (Harris, 1954), whereas modern prediction-based neural network embeddings rely on design choices and hyperparameter optimization. Word embeddings like Word2Vec, GloVe etc. well capture the contextuality and real-world analogies but contemporary convolution-based image embeddings such as VGGNet, AlexNet, etc. do not capture contextual knowledge. The popular king-queen analogy does not hold true for most commonly used vision embeddings. In this paper, we introduce a pre-trained joint embedding (JE), named IMAGINATOR, trained on 21K distinct image objects level from 1M image+text pairs. JE is a way to encode multimodal data into a vector space where the text modality serves as the ground-ing key, which the complementary modality (in this case, the image) is anchored with. IMAGINATOR encapsulates three individual representations: (i) object-object co-location, (ii) word-object co-location, and (iii) word-object correlation. These three ways capture complementary aspects of the two modalities which are further combined to obtain the final JEs. Generated JEs are intrinsically evaluated to assess how well they capture the contextuality and real-world analogies. We also evaluate pre-trained IMAGINATOR JEs on three downstream tasks: (i) image captioning, (ii) Image2Tweet, and (iii) text-based image retrieval. IMAGINATOR establishes a new standard on the aforementioned down-stream tasks by outperforming the current SoTA on all the selected tasks. IMAGINATOR will be made publicly available. The codes are available at https://github.com/varunakk/IMAGINATOR

How far away are truly hyperparameter-free learning algorithms?

Despite major advances in methodology, hyperparameter tuning remains a crucial (and expensive) part of the development of machine learning systems. Even ignoring architectural choices, deep neural networks have a large number of optimization and regularization hyperparameters that need to be tuned carefully per workload in order to obtain the best results. In a perfect world, training algorithms would not require workload-specific hyperparameter tuning, but would instead have default settings that performed well across many workloads. Recently, there has been a growing literature on optimization methods which attempt to reduce the number of hyperparameters -- particularly the learning rate and its accompanying schedule. Given these developments, how far away is the dream of neural network training algorithms that completely obviate the need for painful tuning? In this paper, we evaluate the potential of learning-rate-free methods as components of hyperparameter-free methods. We freeze their (non-learning rate) hyperparameters to default values, and score their performance using the recently-proposed AlgoPerf: Training Algorithms benchmark. We found that literature-supplied default settings performed poorly on the benchmark, so we performed a search for hyperparameter configurations that performed well across all workloads simultaneously. The best AlgoPerf-calibrated learning-rate-free methods had much improved performance but still lagged slightly behind a similarly calibrated NadamW baseline in overall benchmark score. Our results suggest that there is still much room for improvement for learning-rate-free methods, and that testing against a strong, workload-agnostic baseline is important to improve hyperparameter reduction techniques.

Revisiting Design Choices in Offline Model-Based Reinforcement Learning

Offline reinforcement learning enables agents to leverage large pre-collected datasets of environment transitions to learn control policies, circumventing the need for potentially expensive or unsafe online data collection. Significant progress has been made recently in offline model-based reinforcement learning, approaches which leverage a learned dynamics model. This typically involves constructing a probabilistic model, and using the model uncertainty to penalize rewards where there is insufficient data, solving for a pessimistic MDP that lower bounds the true MDP. Existing methods, however, exhibit a breakdown between theory and practice, whereby pessimistic return ought to be bounded by the total variation distance of the model from the true dynamics, but is instead implemented through a penalty based on estimated model uncertainty. This has spawned a variety of uncertainty heuristics, with little to no comparison between differing approaches. In this paper, we compare these heuristics, and design novel protocols to investigate their interaction with other hyperparameters, such as the number of models, or imaginary rollout horizon. Using these insights, we show that selecting these key hyperparameters using Bayesian Optimization produces superior configurations that are vastly different to those currently used in existing hand-tuned state-of-the-art methods, and result in drastically stronger performance.

ShineOn: Illuminating Design Choices for Practical Video-based Virtual Clothing Try-on

Virtual try-on has garnered interest as a neural rendering benchmark task to evaluate complex object transfer and scene composition. Recent works in virtual clothing try-on feature a plethora of possible architectural and data representation choices. However, they present little clarity on quantifying the isolated visual effect of each choice, nor do they specify the hyperparameter details that are key to experimental reproduction. Our work, ShineOn, approaches the try-on task from a bottom-up approach and aims to shine light on the visual and quantitative effects of each experiment. We build a series of scientific experiments to isolate effective design choices in video synthesis for virtual clothing try-on. Specifically, we investigate the effect of different pose annotations, self-attention layer placement, and activation functions on the quantitative and qualitative performance of video virtual try-on. We find that DensePose annotations not only enhance face details but also decrease memory usage and training time. Next, we find that attention layers improve face and neck quality. Finally, we show that GELU and ReLU activation functions are the most effective in our experiments despite the appeal of newer activations such as Swish and Sine. We will release a well-organized code base, hyperparameters, and model checkpoints to support the reproducibility of our results. We expect our extensive experiments and code to greatly inform future design choices in video virtual try-on. Our code may be accessed at https://github.com/andrewjong/ShineOn-Virtual-Tryon.

DeepArchitect: Automatically Designing and Training Deep Architectures

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

Improve Machine Learning carbon footprint using Nvidia GPU and Mixed Precision training for classification models -- Part I

This is the 1st part of the dissertation for my master degree and compares the power consumption using the default floating point (32bit) and Nvidia mixed precision (16bit and 32bit) while training a classification ML model. A custom PC with specific hardware was built to perform the experiments, and different ML hyper-parameters, such as batch size, neurons, and epochs, were chosen to build Deep Neural Networks (DNN). Additionally, various software was used during the experiments to collect the power consumption data in Watts from the Graphics Processing Unit (GPU), Central Processing Unit (CPU), Random Access Memory (RAM) and manually from a wattmeter connected to the wall. A benchmarking test with default hyper parameter values for the DNN was used as a reference, while the experiments used a combination of different settings. The results were recorded in Excel, and descriptive statistics were chosen to calculate the mean between the groups and compare them using graphs and tables. The outcome was positive when using mixed precision combined with specific hyper-parameters. Compared to the benchmarking, the optimisation for the classification reduced the power consumption between 7 and 11 Watts. Similarly, the carbon footprint is reduced because the calculation uses the same power consumption data. Still, a consideration is required when configuring hyper-parameters because it can negatively affect hardware performance. However, this research required inferential statistics, specifically ANOVA and T-test, to compare the relationship between the means. Furthermore, tests indicated no statistical significance of the relationship between the benchmarking and experiments. However, a more extensive implementation with a cluster of GPUs can increase the sample size significantly, as it is an essential factor and can change the outcome of the statistical analysis.

Self-Tuning Networks: Bilevel Optimization of Hyperparameters using Structured Best-Response Functions

Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact best-response for a shallow linear network with L2-regularized Jacobian can be represented by a similar gating mechanism. We fit this model using a gradient-based hyperparameter optimization algorithm which alternates between approximating the best-response around the current hyperparameters and optimizing the hyperparameters using the approximate best-response function. Unlike other gradient-based approaches, we do not require differentiating the training loss with respect to the hyperparameters, allowing us to tune discrete hyperparameters, data augmentation hyperparameters, and dropout probabilities. Because the hyperparameters are adapted online, our approach discovers hyperparameter schedules that can outperform fixed hyperparameter values. Empirically, our approach outperforms competing hyperparameter optimization methods on large-scale deep learning problems. We call our networks, which update their own hyperparameters online during training, Self-Tuning Networks (STNs).

The Hitchhiker's Guide to Human Alignment with *PO

With the growing utilization of large language models (LLMs) across domains, alignment towards human preferences has become one of the most critical aspects of training models. At the forefront of state-of-the-art human alignment methods are preference optimization methods (*PO). However, prior research has often concentrated on identifying the best-performing method, typically involving a grid search over hyperparameters, which can be impractical for general practitioners. In this paper, we aim to identify the algorithm that, while being performant, is simultaneously more robust to varying hyperparameters, thereby increasing the likelihood of achieving better results. We focus on a realistic out-of-distribution (OOD) scenario that mirrors real-world applications of human alignment, offering practical insights into the strengths and weaknesses of these methods. Furthermore, to better understand the shortcomings of generations from the different methods, we analyze the model generations through the lens of KL divergence of the SFT model and the response length statistics. Our analysis reveals that the widely adopted DPO method consistently produces lengthy responses of inferior quality that are very close to the SFT responses. Motivated by these findings, we propose an embarrassingly simple extension to the DPO algorithm, LN-DPO, resulting in more concise responses without sacrificing quality compared to the policy obtained by vanilla DPO.

Sample complexity of data-driven tuning of model hyperparameters in neural networks with structured parameter-dependent dual function

Modern machine learning algorithms, especially deep learning based techniques, typically involve careful hyperparameter tuning to achieve the best performance. Despite the surge of intense interest in practical techniques like Bayesian optimization and random search based approaches to automating this laborious and compute intensive task, the fundamental learning theoretic complexity of tuning hyperparameters for deep neural networks is poorly understood. Inspired by this glaring gap, we initiate the formal study of hyperparameter tuning complexity in deep learning through a recently introduced data driven setting. We assume that we have a series of deep learning tasks, and we have to tune hyperparameters to do well on average over the distribution of tasks. A major difficulty is that the utility function as a function of the hyperparameter is very volatile and furthermore, it is given implicitly by an optimization problem over the model parameters. To tackle this challenge, we introduce a new technique to characterize the discontinuities and oscillations of the utility function on any fixed problem instance as we vary the hyperparameter; our analysis relies on subtle concepts including tools from differential/algebraic geometry and constrained optimization. This can be used to show that the learning theoretic complexity of the corresponding family of utility functions is bounded. We instantiate our results and provide sample complexity bounds for concrete applications tuning a hyperparameter that interpolates neural activation functions and setting the kernel parameter in graph neural networks.

Hyperparameters in Continual Learning: a Reality Check

Various algorithms for continual learning (CL) have been designed with the goal of effectively alleviating the trade-off between stability and plasticity during the CL process. To achieve this goal, tuning appropriate hyperparameters for each algorithm is essential. As an evaluation protocol, it has been common practice to train a CL algorithm using diverse hyperparameter values on a CL scenario constructed with a benchmark dataset. Subsequently, the best performance attained with the optimal hyperparameter value serves as the criterion for evaluating the CL algorithm. In this paper, we contend that this evaluation protocol is not only impractical but also incapable of effectively assessing the CL capability of a CL algorithm. Returning to the fundamental principles of model evaluation in machine learning, we propose an evaluation protocol that involves Hyperparameter Tuning and Evaluation phases. Those phases consist of different datasets but share the same CL scenario. In the Hyperparameter Tuning phase, each algorithm is iteratively trained with different hyperparameter values to find the optimal hyperparameter values. Subsequently, in the Evaluation phase, the optimal hyperparameter values is directly applied for training each algorithm, and their performance in the Evaluation phase serves as the criterion for evaluating them. Through experiments on CIFAR-100 and ImageNet-100 based on the proposed protocol in class-incremental learning, we not only observed that the existing evaluation method fail to properly assess the CL capability of each algorithm but also observe that some recently proposed state-of-the-art algorithms, which reported superior performance, actually exhibit inferior performance compared to the previous algorithm.

Survey of Active Learning Hyperparameters: Insights from a Large-Scale Experimental Grid

Annotating data is a time-consuming and costly task, but it is inherently required for supervised machine learning. Active Learning (AL) is an established method that minimizes human labeling effort by iteratively selecting the most informative unlabeled samples for expert annotation, thereby improving the overall classification performance. Even though AL has been known for decades, AL is still rarely used in real-world applications. As indicated in the two community web surveys among the NLP community about AL, two main reasons continue to hold practitioners back from using AL: first, the complexity of setting AL up, and second, a lack of trust in its effectiveness. We hypothesize that both reasons share the same culprit: the large hyperparameter space of AL. This mostly unexplored hyperparameter space often leads to misleading and irreproducible AL experiment results. In this study, we first compiled a large hyperparameter grid of over 4.6 million hyperparameter combinations, second, recorded the performance of all combinations in the so-far biggest conducted AL study, and third, analyzed the impact of each hyperparameter in the experiment results. In the end, we give recommendations about the influence of each hyperparameter, demonstrate the surprising influence of the concrete AL strategy implementation, and outline an experimental study design for reproducible AL experiments with minimal computational effort, thus contributing to more reproducible and trustworthy AL research in the future.

A Three-regime Model of Network Pruning

Recent work has highlighted the complex influence training hyperparameters, e.g., the number of training epochs, can have on the prunability of machine learning models. Perhaps surprisingly, a systematic approach to predict precisely how adjusting a specific hyperparameter will affect prunability remains elusive. To address this gap, we introduce a phenomenological model grounded in the statistical mechanics of learning. Our approach uses temperature-like and load-like parameters to model the impact of neural network (NN) training hyperparameters on pruning performance. A key empirical result we identify is a sharp transition phenomenon: depending on the value of a load-like parameter in the pruned model, increasing the value of a temperature-like parameter in the pre-pruned model may either enhance or impair subsequent pruning performance. Based on this transition, we build a three-regime model by taxonomizing the global structure of the pruned NN loss landscape. Our model reveals that the dichotomous effect of high temperature is associated with transitions between distinct types of global structures in the post-pruned model. Based on our results, we present three case-studies: 1) determining whether to increase or decrease a hyperparameter for improved pruning; 2) selecting the best model to prune from a family of models; and 3) tuning the hyperparameter of the Sharpness Aware Minimization method for better pruning performance.

Predictable Scale: Part I -- Optimal Hyperparameter Scaling Law in Large Language Model Pretraining

The impressive capabilities of Large Language Models (LLMs) across diverse tasks are now well-established, yet their effective deployment necessitates careful hyperparameter optimization. Through extensive empirical studies involving grid searches across diverse configurations, we discover universal scaling laws governing these hyperparameters: optimal learning rate follows a power-law relationship with both model parameters and data sizes, while optimal batch size scales primarily with data sizes. Our analysis reveals a convex optimization landscape for hyperparameters under fixed models and data size conditions. This convexity implies an optimal hyperparameter plateau. We contribute a universal, plug-and-play optimal hyperparameter tool for the community. Its estimated values on the test set are merely 0.07\% away from the globally optimal LLM performance found via an exhaustive search. These laws demonstrate remarkable robustness across variations in model sparsity, training data distribution, and model shape. To our best known, this is the first work that unifies different model shapes and structures, such as Mixture-of-Experts models and dense transformers, as well as establishes optimal hyperparameter scaling laws across diverse data distributions. This exhaustive optimization process demands substantial computational resources, utilizing nearly one million NVIDIA H800 GPU hours to train 3,700 LLMs of varying sizes and hyperparameters from scratch and consuming approximately 100 trillion tokens in total. To facilitate reproducibility and further research, we will progressively release all loss measurements and model checkpoints through our designated repository https://step-law.github.io/

SpecDec++: Boosting Speculative Decoding via Adaptive Candidate Lengths

Speculative decoding reduces the inference latency of a target large language model via utilizing a smaller and faster draft model. Its performance depends on a hyperparameter K -- the candidate length, i.e., the number of candidate tokens for the target model to verify in each round. However, previous methods often use simple heuristics to choose K, which may result in sub-optimal performance. We study the choice of the candidate length K and formulate it as a Markov Decision Process. We theoretically show that the optimal policy of this Markov decision process takes the form of a threshold policy, i.e., the current speculation should stop and be verified when the probability of getting a rejection exceeds a threshold value. Motivated by this theory, we propose SpecDec++, an enhanced version of speculative decoding that adaptively determines the candidate length on the fly. We augment the draft model with a trained acceptance prediction head to predict the conditional acceptance probability of the candidate tokens. SpecDec++ will stop the current speculation when the predicted probability that at least one token gets rejected exceeds a threshold. We implement SpecDec++ and apply it to the llama-2-chat 7B & 70B model pair. Our adaptive method achieves a 2.04x speedup on the Alpaca dataset (an additional 7.2% improvement over the baseline speculative decoding). On the GSM8K and HumanEval datasets, our method achieves a 2.26x speedup (9.4% improvement) and 2.23x speedup (11.1% improvement), respectively.

Parallel Bayesian Optimization of Agent-based Transportation Simulation

MATSim (Multi-Agent Transport Simulation Toolkit) is an open source large-scale agent-based transportation planning project applied to various areas like road transport, public transport, freight transport, regional evacuation, etc. BEAM (Behavior, Energy, Autonomy, and Mobility) framework extends MATSim to enable powerful and scalable analysis of urban transportation systems. The agents from the BEAM simulation exhibit 'mode choice' behavior based on multinomial logit model. In our study, we consider eight mode choices viz. bike, car, walk, ride hail, driving to transit, walking to transit, ride hail to transit, and ride hail pooling. The 'alternative specific constants' for each mode choice are critical hyperparameters in a configuration file related to a particular scenario under experimentation. We use the 'Urbansim-10k' BEAM scenario (with 10,000 population size) for all our experiments. Since these hyperparameters affect the simulation in complex ways, manual calibration methods are time consuming. We present a parallel Bayesian optimization method with early stopping rule to achieve fast convergence for the given multi-in-multi-out problem to its optimal configurations. Our model is based on an open source HpBandSter package. This approach combines hierarchy of several 1D Kernel Density Estimators (KDE) with a cheap evaluator (Hyperband, a single multidimensional KDE). Our model has also incorporated extrapolation based early stopping rule. With our model, we could achieve a 25% L1 norm for a large-scale BEAM simulation in fully autonomous manner. To the best of our knowledge, our work is the first of its kind applied to large-scale multi-agent transportation simulations. This work can be useful for surrogate modeling of scenarios with very large populations.

The Impact of Hyperparameters on Large Language Model Inference Performance: An Evaluation of vLLM and HuggingFace Pipelines

The recent surge of open-source large language models (LLMs) enables developers to create AI-based solutions while maintaining control over aspects such as privacy and compliance, thereby providing governance and ownership of the model deployment process. To utilize these LLMs, inference engines are needed. These engines load the model's weights onto available resources, such as GPUs, and process queries to generate responses. The speed of inference, or performance, of the LLM, is critical for real-time applications, as it computes millions or billions of floating point operations per inference. Recently, advanced inference engines such as vLLM have emerged, incorporating novel mechanisms such as efficient memory management to achieve state-of-the-art performance. In this paper, we analyze the performance, particularly the throughput (tokens generated per unit of time), of 20 LLMs using two inference libraries: vLLM and HuggingFace's pipelines. We investigate how various hyperparameters, which developers must configure, influence inference performance. Our results reveal that throughput landscapes are irregular, with distinct peaks, highlighting the importance of hyperparameter optimization to achieve maximum performance. We also show that applying hyperparameter optimization when upgrading or downgrading the GPU model used for inference can improve throughput from HuggingFace pipelines by an average of 9.16% and 13.7%, respectively.

Predicting Users' Value Changes by the Friends' Influence from Social Media Usage

Basic human values represent a set of values such as security, independence, success, kindness, and pleasure, which we deem important to our lives. Each of us holds different values with different degrees of significance. Existing studies show that values of a person can be identified from their social network usage. However, the value priority of a person may change over time due to different factors such as life experiences, influence, social structure and technology. Existing studies do not conduct any analysis regarding the change of users' value from the social influence, i.e., group persuasion, form the social media usage. In our research, first, we predict users' value score by the influence of friends from their social media usage. We propose a Bounded Confidence Model (BCM) based value dynamics model from 275 different ego networks in Facebook that predicts how social influence may persuade a person to change their value over time. Then, to predict better, we use particle swarm optimization based hyperparameter tuning technique. We observe that these optimized hyperparameters produce accurate future value score. We also run our approach with different machine learning based methods and find support vector regression (SVR) outperforms other regressor models. By using SVR with the best hyperparameters of BCM model, we find the lowest Mean Squared Error (MSE) score 0.00347.

Optimized Conformal Selection: Powerful Selective Inference After Conformity Score Optimization

Model selection/optimization in conformal inference is challenging, since it may break the exchangeability between labeled and unlabeled data. We study this problem in the context of conformal selection, which uses conformal p-values to select ``interesting'' instances with large unobserved labels from a pool of unlabeled data, while controlling the FDR in finite sample. For validity, existing solutions require the model choice to be independent of the data used to construct the p-values and calibrate the selection set. However, when presented with many model choices and limited labeled data, it is desirable to (i) select the best model in a data-driven manner, and (ii) mitigate power loss due to sample splitting. This paper presents OptCS, a general framework that allows valid statistical testing (selection) after flexible data-driven model optimization. We introduce general conditions under which OptCS constructs valid conformal p-values despite substantial data reuse and handles complex p-value dependencies to maintain finite-sample FDR control via a novel multiple testing procedure. We instantiate this general recipe to propose three FDR-controlling procedures, each optimizing the models differently: (i) selecting the most powerful one among multiple pre-trained candidate models, (ii) using all data for model fitting without sample splitting, and (iii) combining full-sample model fitting and selection. We demonstrate the efficacy of our methods via simulation studies and real applications in drug discovery and alignment of large language models in radiology report generation.

sharpDARTS: Faster and More Accurate Differentiable Architecture Search

Neural Architecture Search (NAS) has been a source of dramatic improvements in neural network design, with recent results meeting or exceeding the performance of hand-tuned architectures. However, our understanding of how to represent the search space for neural net architectures and how to search that space efficiently are both still in their infancy. We have performed an in-depth analysis to identify limitations in a widely used search space and a recent architecture search method, Differentiable Architecture Search (DARTS). These findings led us to introduce novel network blocks with a more general, balanced, and consistent design; a better-optimized Cosine Power Annealing learning rate schedule; and other improvements. Our resulting sharpDARTS search is 50% faster with a 20-30% relative improvement in final model error on CIFAR-10 when compared to DARTS. Our best single model run has 1.93% (1.98+/-0.07) validation error on CIFAR-10 and 5.5% error (5.8+/-0.3) on the recently released CIFAR-10.1 test set. To our knowledge, both are state of the art for models of similar size. This model also generalizes competitively to ImageNet at 25.1% top-1 (7.8% top-5) error. We found improvements for existing search spaces but does DARTS generalize to new domains? We propose Differentiable Hyperparameter Grid Search and the HyperCuboid search space, which are representations designed to leverage DARTS for more general parameter optimization. Here we find that DARTS fails to generalize when compared against a human's one shot choice of models. We look back to the DARTS and sharpDARTS search spaces to understand why, and an ablation study reveals an unusual generalization gap. We finally propose Max-W regularization to solve this problem, which proves significantly better than the handmade design. Code will be made available.

DEL: Context-Aware Dynamic Exit Layer for Efficient Self-Speculative Decoding

Speculative Decoding (SD) is a widely used approach to accelerate the inference of large language models (LLMs) without reducing generation quality. It operates by first using a compact model to draft multiple tokens efficiently, followed by parallel verification using the target LLM. This approach leads to faster inference compared to auto-regressive decoding. While there are multiple approaches to create a draft model, one promising approach is to use early-exit methods. These methods draft candidate tokens by using a subset of layers of the primary model and applying the remaining layers for verification, allowing a single model to handle both drafting and verification. While this technique reduces memory usage and computational cost, its performance relies on the choice of the exit layer for drafting and the number of tokens drafted (speculation length) in each SD round. Prior works use hyperparameter exploration to statically select these values. However, our evaluations show that these hyperparameter values are task-specific, and even within a task they are dependent on the current sequence context. We introduce DEL, a plug-and-play method that adaptively selects the exit layer and speculation length during inference. DEL dynamically tracks the token acceptance rate if the tokens are drafted at each layer of an LLM and uses that knowledge to heuristically select the optimal exit layer and speculation length. Our experiments across a broad range of models and downstream tasks show that DEL achieves overall speedups of 2.16timessim2.50times over vanilla auto-regressive decoding and improves upon the state-of-the-art SD methods by up to 0.27times.

Breast Cancer Diagnosis Using Machine Learning Techniques

Breast cancer is one of the most threatening diseases in women's life; thus, the early and accurate diagnosis plays a key role in reducing the risk of death in a patient's life. Mammography stands as the reference technique for breast cancer screening; nevertheless, many countries still lack access to mammograms due to economic, social, and cultural issues. Latest advances in computational tools, infrared cameras and devices for bio-impedance quantification, have given a chance to emerge other reference techniques like thermography, infrared thermography, electrical impedance tomography and biomarkers found in blood tests, therefore being faster, reliable and cheaper than other methods. In the last two decades, the techniques mentioned above have been considered as parallel and extended approaches for breast cancer diagnosis, as well many authors concluded that false positives and false negatives rates are significantly reduced. Moreover, when a screening method works together with a computational technique, it generates a "computer-aided diagnosis" system. The present work aims to review the last breakthroughs about the three techniques mentioned earlier, suggested machine learning techniques to breast cancer diagnosis, thus, describing the benefits of some methods in relation with other ones, such as, logistic regression, decision trees, random forest, deep and convolutional neural networks. With this, we studied several hyperparameters optimization approaches with parzen tree optimizers to improve the performance of baseline models. An exploratory data analysis for each database and a benchmark of convolutional neural networks for the database of thermal images are presented. The benchmark process, reviews image classification techniques with convolutional neural networks, like, Resnet50, NasNetmobile, InceptionResnet and Xception.

OpenBezoar: Small, Cost-Effective and Open Models Trained on Mixes of Instruction Data

Instruction fine-tuning pretrained LLMs for diverse downstream tasks has demonstrated remarkable success and has captured the interest of both academics and practitioners. To ensure such fine-tuned LLMs align with human preferences, techniques such as RLHF and DPO have emerged. At the same time, there is increasing interest in smaller parameter counts for models. In this work, using OpenLLaMA 3Bv2 as a base model, we describe the recipe used to fine-tune the OpenBezoar family of models. In this recipe: We first generate synthetic instruction fine-tuning data using an open and commercially non-restrictive instruction fine-tuned variant of the Falcon-40B model under three schemes based on: LaMini-LM, WizardLM/Evol-Instruct (with databricks-dolly-15k as a seed dataset) and Orca (with the Flan Collection as a seed dataset), then filter these generations using GPT-4 as a human proxy. We then perform cost-effective QLoRA-based supervised fine-tuning sequentially with each scheme. The resulting checkpoint is further fine-tuned with a subset of the HH-RLHF dataset to minimize distribution shift prior to using the DPO loss to obtain the final checkpoint. Evaluation is done with the LM Eval Harness tasks/metrics as well as on MT-Bench using the "LLM-as-a-judge" framework with Claude 2.1, with the finding that the final checkpoint, "OpenBezoar-HH-RLHF-DPO", demonstrates superior performance over many models at the 3B parameter scale, even outperforming the top model in one of the categories on the Huggingface Open LLM Leaderboard. We release "OpenBezoar-SFT", "OpenBezoar-HH-RLHF-SFT", "OpenBezoar-HH-RLHF-DPO" checkpoints, alongside our generated datasets on HuggingFace at https://huggingface.co/collections/SurgeGlobal/open-bezoar-6620a24923e12127e9e2b9cc and our codebase at https://bitbucket.org/paladinanalytics/workspace/projects/OP.

ArchGym: An Open-Source Gymnasium for Machine Learning Assisted Architecture Design

Machine learning is a prevalent approach to tame the complexity of design space exploration for domain-specific architectures. Using ML for design space exploration poses challenges. First, it's not straightforward to identify the suitable algorithm from an increasing pool of ML methods. Second, assessing the trade-offs between performance and sample efficiency across these methods is inconclusive. Finally, lack of a holistic framework for fair, reproducible, and objective comparison across these methods hinders progress of adopting ML-aided architecture design space exploration and impedes creating repeatable artifacts. To mitigate these challenges, we introduce ArchGym, an open-source gym and easy-to-extend framework that connects diverse search algorithms to architecture simulators. To demonstrate utility, we evaluate ArchGym across multiple vanilla and domain-specific search algorithms in designing custom memory controller, deep neural network accelerators, and custom SoC for AR/VR workloads, encompassing over 21K experiments. Results suggest that with unlimited samples, ML algorithms are equally favorable to meet user-defined target specification if hyperparameters are tuned; no solution is necessarily better than another (e.g., reinforcement learning vs. Bayesian methods). We coin the term hyperparameter lottery to describe the chance for a search algorithm to find an optimal design provided meticulously selected hyperparameters. The ease of data collection and aggregation in ArchGym facilitates research in ML-aided architecture design space exploration. As a case study, we show this advantage by developing a proxy cost model with an RMSE of 0.61% that offers a 2,000-fold reduction in simulation time. Code and data for ArchGym is available at https://bit.ly/ArchGym.

From Graphs to Hypergraphs: Hypergraph Projection and its Remediation

We study the implications of the modeling choice to use a graph, instead of a hypergraph, to represent real-world interconnected systems whose constituent relationships are of higher order by nature. Such a modeling choice typically involves an underlying projection process that maps the original hypergraph onto a graph, and is common in graph-based analysis. While hypergraph projection can potentially lead to loss of higher-order relations, there exists very limited studies on the consequences of doing so, as well as its remediation. This work fills this gap by doing two things: (1) we develop analysis based on graph and set theory, showing two ubiquitous patterns of hyperedges that are root to structural information loss in all hypergraph projections; we also quantify the combinatorial impossibility of recovering the lost higher-order structures if no extra help is provided; (2) we still seek to recover the lost higher-order structures in hypergraph projection, and in light of (1)'s findings we propose to relax the problem into a learning-based setting. Under this setting, we develop a learning-based hypergraph reconstruction method based on an important statistic of hyperedge distributions that we find. Our reconstruction method is evaluated on 8 real-world datasets under different settings, and exhibits consistently good performance. We also demonstrate benefits of the reconstructed hypergraphs via use cases of protein rankings and link predictions.

A Brief Review of Hypernetworks in Deep Learning

Hypernetworks, or hypernets in short, are neural networks that generate weights for another neural network, known as the target network. They have emerged as a powerful deep learning technique that allows for greater flexibility, adaptability, dynamism, faster training, information sharing, and model compression etc. Hypernets have shown promising results in a variety of deep learning problems, including continual learning, causal inference, transfer learning, weight pruning, uncertainty quantification, zero-shot learning, natural language processing, and reinforcement learning etc. Despite their success across different problem settings, currently, there is no review available to inform the researchers about the developments and to help in utilizing hypernets. To fill this gap, we review the progress in hypernets. We present an illustrative example to train deep neural networks using hypernets and propose categorizing hypernets based on five design criteria as inputs, outputs, variability of inputs and outputs, and architecture of hypernets. We also review applications of hypernets across different deep learning problem settings, followed by a discussion of general scenarios where hypernets can be effectively employed. Finally, we discuss the challenges and future directions that remain under-explored in the field of hypernets. We believe that hypernetworks have the potential to revolutionize the field of deep learning. They offer a new way to design and train neural networks, and they have the potential to improve the performance of deep learning models on a variety of tasks. Through this review, we aim to inspire further advancements in deep learning through hypernetworks.

Scalable Parameter and Memory Efficient Pretraining for LLM: Recent Algorithmic Advances and Benchmarking

Fueled by their remarkable ability to tackle diverse tasks across multiple domains, large language models (LLMs) have grown at an unprecedented rate, with some recent models containing trillions of parameters. This growth is accompanied by substantial computational challenges, particularly regarding the memory and compute resources required for training and fine-tuning. Numerous approaches have been explored to address these issues, such as LoRA. While these methods are effective for fine-tuning, their application to pre-training is significantly more challenging due to the need to learn vast datasets. Motivated by this issue, we aim to address the following questions: Can parameter- or memory-efficient methods enhance pre-training efficiency while achieving performance comparable to full-model training? How can the performance gap be narrowed? To this end, the contributions of this work are the following. (1) We begin by conducting a comprehensive survey that summarizes state-of-the-art methods for efficient pre-training. (2) We perform a benchmark evaluation of several representative memory efficient pre-training approaches to comprehensively evaluate their performance across model sizes. We observe that with a proper choice of optimizer and hyperparameters, full-rank training delivers the best performance, as expected. We also notice that incorporating high-rank updates in low-rank approaches is the key to improving their performance. (3) Finally, we propose two practical techniques, namely weight refactorization and momentum reset, to enhance the performance of efficient pre-training methods. We observe that applying these techniques to the low-rank method (on a 1B model) can achieve a lower perplexity than popular memory efficient algorithms such as GaLore and Fira, while simultaneously using about 25% less memory.

FlexiBERT: Are Current Transformer Architectures too Homogeneous and Rigid?

The existence of a plethora of language models makes the problem of selecting the best one for a custom task challenging. Most state-of-the-art methods leverage transformer-based models (e.g., BERT) or their variants. Training such models and exploring their hyperparameter space, however, is computationally expensive. Prior work proposes several neural architecture search (NAS) methods that employ performance predictors (e.g., surrogate models) to address this issue; however, analysis has been limited to homogeneous models that use fixed dimensionality throughout the network. This leads to sub-optimal architectures. To address this limitation, we propose a suite of heterogeneous and flexible models, namely FlexiBERT, that have varied encoder layers with a diverse set of possible operations and different hidden dimensions. For better-posed surrogate modeling in this expanded design space, we propose a new graph-similarity-based embedding scheme. We also propose a novel NAS policy, called BOSHNAS, that leverages this new scheme, Bayesian modeling, and second-order optimization, to quickly train and use a neural surrogate model to converge to the optimal architecture. A comprehensive set of experiments shows that the proposed policy, when applied to the FlexiBERT design space, pushes the performance frontier upwards compared to traditional models. FlexiBERT-Mini, one of our proposed models, has 3% fewer parameters than BERT-Mini and achieves 8.9% higher GLUE score. A FlexiBERT model with equivalent performance as the best homogeneous model achieves 2.6x smaller size. FlexiBERT-Large, another proposed model, achieves state-of-the-art results, outperforming the baseline models by at least 5.7% on the GLUE benchmark.

A Practical Approach to Novel Class Discovery in Tabular Data

The problem of Novel Class Discovery (NCD) consists in extracting knowledge from a labeled set of known classes to accurately partition an unlabeled set of novel classes. While NCD has recently received a lot of attention from the community, it is often solved on computer vision problems and under unrealistic conditions. In particular, the number of novel classes is usually assumed to be known in advance, and their labels are sometimes used to tune hyperparameters. Methods that rely on these assumptions are not applicable in real-world scenarios. In this work, we focus on solving NCD in tabular data when no prior knowledge of the novel classes is available. To this end, we propose to tune the hyperparameters of NCD methods by adapting the k-fold cross-validation process and hiding some of the known classes in each fold. Since we have found that methods with too many hyperparameters are likely to overfit these hidden classes, we define a simple deep NCD model. This method is composed of only the essential elements necessary for the NCD problem and performs impressively well under realistic conditions. Furthermore, we find that the latent space of this method can be used to reliably estimate the number of novel classes. Additionally, we adapt two unsupervised clustering algorithms (k-means and Spectral Clustering) to leverage the knowledge of the known classes. Extensive experiments are conducted on 7 tabular datasets and demonstrate the effectiveness of the proposed method and hyperparameter tuning process, and show that the NCD problem can be solved without relying on knowledge from the novel classes.

Exploring Public Attention in the Circular Economy through Topic Modelling with Twin Hyperparameter Optimisation

To advance the circular economy (CE), it is crucial to gain insights into the evolution of public attention, cognitive pathways of the masses concerning circular products, and to identify primary concerns. To achieve this, we collected data from diverse platforms, including Twitter, Reddit, and The Guardian, and utilised three topic models to analyse the data. Given the performance of topic modelling may vary depending on hyperparameter settings, this research proposed a novel framework that integrates twin (single and multi-objective) hyperparameter optimisation for the CE. We conducted systematic experiments to ensure that topic models are set with appropriate hyperparameters under different constraints, providing valuable insights into the correlations between CE and public attention. In summary, our optimised model reveals that public remains concerned about the economic impacts of sustainability and circular practices, particularly regarding recyclable materials and environmentally sustainable technologies. The analysis shows that the CE has attracted significant attention on The Guardian, especially in topics related to sustainable development and environmental protection technologies, while discussions are comparatively less active on Twitter. These insights highlight the need for policymakers to implement targeted education programs, create incentives for businesses to adopt CE principles, and enforce more stringent waste management policies alongside improved recycling processes.

PyGlove: Symbolic Programming for Automated Machine Learning

Neural networks are sensitive to hyper-parameter and architecture choices. Automated Machine Learning (AutoML) is a promising paradigm for automating these choices. Current ML software libraries, however, are quite limited in handling the dynamic interactions among the components of AutoML. For example, efficientNAS algorithms, such as ENAS and DARTS, typically require an implementation coupling between the search space and search algorithm, the two key components in AutoML. Furthermore, implementing a complex search flow, such as searching architectures within a loop of searching hardware configurations, is difficult. To summarize, changing the search space, search algorithm, or search flow in current ML libraries usually requires a significant change in the program logic. In this paper, we introduce a new way of programming AutoML based on symbolic programming. Under this paradigm, ML programs are mutable, thus can be manipulated easily by another program. As a result, AutoML can be reformulated as an automated process of symbolic manipulation. With this formulation, we decouple the triangle of the search algorithm, the search space and the child program. This decoupling makes it easy to change the search space and search algorithm (without and with weight sharing), as well as to add search capabilities to existing code and implement complex search flows. We then introduce PyGlove, a new Python library that implements this paradigm. Through case studies on ImageNet and NAS-Bench-101, we show that with PyGlove users can easily convert a static program into a search space, quickly iterate on the search spaces and search algorithms, and craft complex search flows to achieve better results.

Rich Feature Construction for the Optimization-Generalization Dilemma

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

RankMe: Assessing the downstream performance of pretrained self-supervised representations by their rank

Joint-Embedding Self Supervised Learning (JE-SSL) has seen a rapid development, with the emergence of many method variations but only few principled guidelines that would help practitioners to successfully deploy them. The main reason for that pitfall comes from JE-SSL's core principle of not employing any input reconstruction therefore lacking visual cues of unsuccessful training. Adding non informative loss values to that, it becomes difficult to deploy SSL on a new dataset for which no labels can help to judge the quality of the learned representation. In this study, we develop a simple unsupervised criterion that is indicative of the quality of the learned JE-SSL representations: their effective rank. Albeit simple and computationally friendly, this method -- coined RankMe -- allows one to assess the performance of JE-SSL representations, even on different downstream datasets, without requiring any labels. A further benefit of RankMe is that it does not have any training or hyper-parameters to tune. Through thorough empirical experiments involving hundreds of training episodes, we demonstrate how RankMe can be used for hyperparameter selection with nearly no reduction in final performance compared to the current selection method that involve a dataset's labels. We hope that RankMe will facilitate the deployment of JE-SSL towards domains that do not have the opportunity to rely on labels for representations' quality assessment.

Power Scheduler: A Batch Size and Token Number Agnostic Learning Rate Scheduler

Finding the optimal learning rate for language model pretraining is a challenging task. This is not only because there is a complicated correlation between learning rate, batch size, number of training tokens, model size, and other hyperparameters but also because it is prohibitively expensive to perform a hyperparameter search for large language models with Billions or Trillions of parameters. Recent studies propose using small proxy models and small corpus to perform hyperparameter searches and transposing the optimal parameters to large models and large corpus. While the zero-shot transferability is theoretically and empirically proven for model size related hyperparameters, like depth and width, the zero-shot transfer from small corpus to large corpus is underexplored. In this paper, we study the correlation between optimal learning rate, batch size, and number of training tokens for the recently proposed WSD scheduler. After thousands of small experiments, we found a power-law relationship between variables and demonstrated its transferability across model sizes. Based on the observation, we propose a new learning rate scheduler, Power scheduler, that is agnostic about the number of training tokens and batch size. The experiment shows that combining the Power scheduler with Maximum Update Parameterization (muP) can consistently achieve impressive performance with one set of hyperparameters regardless of the number of training tokens, batch size, model size, and even model architecture. Our 3B dense and MoE models trained with the Power scheduler achieve comparable performance as state-of-the-art small language models. We open-source these pretrained models at https://ibm.biz/BdKhLa.

Measuring the Intrinsic Dimension of Objective Landscapes

Many recently trained neural networks employ large numbers of parameters to achieve good performance. One may intuitively use the number of parameters required as a rough gauge of the difficulty of a problem. But how accurate are such notions? How many parameters are really needed? In this paper we attempt to answer this question by training networks not in their native parameter space, but instead in a smaller, randomly oriented subspace. We slowly increase the dimension of this subspace, note at which dimension solutions first appear, and define this to be the intrinsic dimension of the objective landscape. The approach is simple to implement, computationally tractable, and produces several suggestive conclusions. Many problems have smaller intrinsic dimensions than one might suspect, and the intrinsic dimension for a given dataset varies little across a family of models with vastly different sizes. This latter result has the profound implication that once a parameter space is large enough to solve a problem, extra parameters serve directly to increase the dimensionality of the solution manifold. Intrinsic dimension allows some quantitative comparison of problem difficulty across supervised, reinforcement, and other types of learning where we conclude, for example, that solving the inverted pendulum problem is 100 times easier than classifying digits from MNIST, and playing Atari Pong from pixels is about as hard as classifying CIFAR-10. In addition to providing new cartography of the objective landscapes wandered by parameterized models, the method is a simple technique for constructively obtaining an upper bound on the minimum description length of a solution. A byproduct of this construction is a simple approach for compressing networks, in some cases by more than 100 times.

Learning to Relax: Setting Solver Parameters Across a Sequence of Linear System Instances

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

A Study of Bayesian Neural Network Surrogates for Bayesian Optimization

Bayesian optimization is a highly efficient approach to optimizing objective functions which are expensive to query. These objectives are typically represented by Gaussian process (GP) surrogate models which are easy to optimize and support exact inference. While standard GP surrogates have been well-established in Bayesian optimization, Bayesian neural networks (BNNs) have recently become practical function approximators, with many benefits over standard GPs such as the ability to naturally handle non-stationarity and learn representations for high-dimensional data. In this paper, we study BNNs as alternatives to standard GP surrogates for optimization. We consider a variety of approximate inference procedures for finite-width BNNs, including high-quality Hamiltonian Monte Carlo, low-cost stochastic MCMC, and heuristics such as deep ensembles. We also consider infinite-width BNNs and partially stochastic models such as deep kernel learning. We evaluate this collection of surrogate models on diverse problems with varying dimensionality, number of objectives, non-stationarity, and discrete and continuous inputs. We find: (i) the ranking of methods is highly problem dependent, suggesting the need for tailored inductive biases; (ii) HMC is the most successful approximate inference procedure for fully stochastic BNNs; (iii) full stochasticity may be unnecessary as deep kernel learning is relatively competitive; (iv) infinite-width BNNs are particularly promising, especially in high dimensions.

Optimizing Distributed Training on Frontier for Large Language Models

Large language models (LLMs) have demonstrated remarkable success as foundational models, benefiting various downstream applications through fine-tuning. Recent studies on loss scaling have demonstrated the superior performance of larger LLMs compared to their smaller counterparts. Nevertheless, training LLMs with billions of parameters poses significant challenges and requires considerable computational resources. For example, training a one trillion parameter GPT-style model on 20 trillion tokens requires a staggering 120 million exaflops of computation. This research explores efficient distributed training strategies to extract this computation from Frontier, the world's first exascale supercomputer dedicated to open science. We enable and investigate various model and data parallel training techniques, such as tensor parallelism, pipeline parallelism, and sharded data parallelism, to facilitate training a trillion-parameter model on Frontier. We empirically assess these techniques and their associated parameters to determine their impact on memory footprint, communication latency, and GPU's computational efficiency. We analyze the complex interplay among these techniques and find a strategy to combine them to achieve high throughput through hyperparameter tuning. We have identified efficient strategies for training large LLMs of varying sizes through empirical analysis and hyperparameter tuning. For 22 Billion, 175 Billion, and 1 Trillion parameters, we achieved GPU throughputs of 38.38%, 36.14%, and 31.96%, respectively. For the training of the 175 Billion parameter model and the 1 Trillion parameter model, we achieved 100% weak scaling efficiency on 1024 and 3072 MI250X GPUs, respectively. We also achieved strong scaling efficiencies of 89% and 87% for these two models.

A Flexible Parametric Modelling Framework for Survival Analysis

We introduce a general, flexible, parametric survival modelling framework which encompasses key shapes of hazard function (constant, increasing, decreasing, up-then-down, down-then-up), various common survival distributions (log-logistic, Burr type XII, Weibull, Gompertz), and includes defective distributions (i.e., cure models). This generality is achieved using four basic distributional parameters: two scale-type parameters and two shape parameters. Generalising to covariate dependence, the scale-type regression components correspond to accelerated failure time (AFT) and proportional hazards (PH) models. Therefore, this general formulation unifies the most popular survival models which allows us to consider the practical value of possible modelling choices for survival data. Furthermore, in line with our proposed flexible baseline distribution, we advocate the use of multi-parameter regression in which more than one distributional parameter depends on covariates - rather than the usual convention of having a single covariate-dependent (scale) parameter. While many choices are available, we suggest introducing covariates through just one or other of the two scale parameters, which covers AFT and PH models, in combination with a `power' shape parameter, which allows for more complex non-AFT/non-PH effects, while the other shape parameter remains covariate-independent, and handles automatic selection of the baseline distribution. We explore inferential issues in simulations, both with and without a covariate, with particular focus on evidence concerning the need, or otherwise, to include both AFT and PH parameters. We illustrate the efficacy of our modelling framework by investigating differences between treatment groups using data from a lung cancer study and a melanoma study. Censoring is accommodated throughout.

Flexora: Flexible Low Rank Adaptation for Large Language Models

Large Language Models (LLMs) are driving advancements in artificial intelligence by increasing the scale of model parameters, which has significantly enhanced generalization ability and unlocked new capabilities in practice. However, their performance in specific downstream tasks is usually hindered by their knowledge boundaries on these tasks. Thus, fine-tuning techniques, especially the widely used Low-Rank Adaptation (LoRA) method, have been introduced to expand the boundaries on these tasks, whereas LoRA would underperform on certain tasks owing to its potential overfitting on these tasks. To overcome this overfitting and improve the performance of LoRA, we propose the flexible low rank adaptation (Flexora) method to automatically and flexibly select the most important layers needing to be fine-tuned to achieve the best performance on different downstream tasks. Specifically, Flexora firstly frames this layer selection problem as a well-defined hyperparameter optimization (HPO) problem, then addresses it using the unrolled differentiation (UD) method, and finally selects the most useful layers based on the optimized hyperparameters. Our extensive experiments on many pretrained models and natural language tasks show that Flexora is able to consistently improve over the existing baselines, indicating the effectiveness of our Flexora in practice. We additionally provide insightful theoretical results and many ablation studies to deliver a comprehensive understanding of our Flexora.

Model Evaluation, Model Selection, and Algorithm Selection in Machine Learning

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for each of these three subtasks and discusses the main advantages and disadvantages of each technique with references to theoretical and empirical studies. Further, recommendations are given to encourage best yet feasible practices in research and applications of machine learning. Common methods such as the holdout method for model evaluation and selection are covered, which are not recommended when working with small datasets. Different flavors of the bootstrap technique are introduced for estimating the uncertainty of performance estimates, as an alternative to confidence intervals via normal approximation if bootstrapping is computationally feasible. Common cross-validation techniques such as leave-one-out cross-validation and k-fold cross-validation are reviewed, the bias-variance trade-off for choosing k is discussed, and practical tips for the optimal choice of k are given based on empirical evidence. Different statistical tests for algorithm comparisons are presented, and strategies for dealing with multiple comparisons such as omnibus tests and multiple-comparison corrections are discussed. Finally, alternative methods for algorithm selection, such as the combined F-test 5x2 cross-validation and nested cross-validation, are recommended for comparing machine learning algorithms when datasets are small.

OpenELM: An Efficient Language Model Family with Open-source Training and Inference Framework

The reproducibility and transparency of large language models are crucial for advancing open research, ensuring the trustworthiness of results, and enabling investigations into data and model biases, as well as potential risks. To this end, we release OpenELM, a state-of-the-art open language model. OpenELM uses a layer-wise scaling strategy to efficiently allocate parameters within each layer of the transformer model, leading to enhanced accuracy. For example, with a parameter budget of approximately one billion parameters, OpenELM exhibits a 2.36% improvement in accuracy compared to OLMo while requiring 2times fewer pre-training tokens. Diverging from prior practices that only provide model weights and inference code, and pre-train on private datasets, our release includes the complete framework for training and evaluation of the language model on publicly available datasets, including training logs, multiple checkpoints, and pre-training configurations. We also release code to convert models to MLX library for inference and fine-tuning on Apple devices. This comprehensive release aims to empower and strengthen the open research community, paving the way for future open research endeavors. Our source code along with pre-trained model weights and training recipes is available at https://github.com/apple/corenet. Additionally, \model models can be found on HuggingFace at: https://huggingface.co/apple/OpenELM.

GPT Takes the Bar Exam

Nearly all jurisdictions in the United States require a professional license exam, commonly referred to as "the Bar Exam," as a precondition for law practice. To even sit for the exam, most jurisdictions require that an applicant completes at least seven years of post-secondary education, including three years at an accredited law school. In addition, most test-takers also undergo weeks to months of further, exam-specific preparation. Despite this significant investment of time and capital, approximately one in five test-takers still score under the rate required to pass the exam on their first try. In the face of a complex task that requires such depth of knowledge, what, then, should we expect of the state of the art in "AI?" In this research, we document our experimental evaluation of the performance of OpenAI's `text-davinci-003` model, often-referred to as GPT-3.5, on the multistate multiple choice (MBE) section of the exam. While we find no benefit in fine-tuning over GPT-3.5's zero-shot performance at the scale of our training data, we do find that hyperparameter optimization and prompt engineering positively impacted GPT-3.5's zero-shot performance. For best prompt and parameters, GPT-3.5 achieves a headline correct rate of 50.3% on a complete NCBE MBE practice exam, significantly in excess of the 25% baseline guessing rate, and performs at a passing rate for both Evidence and Torts. GPT-3.5's ranking of responses is also highly-correlated with correctness; its top two and top three choices are correct 71% and 88% of the time, respectively, indicating very strong non-entailment performance. While our ability to interpret these results is limited by nascent scientific understanding of LLMs and the proprietary nature of GPT, we believe that these results strongly suggest that an LLM will pass the MBE component of the Bar Exam in the near future.

FedHyper: A Universal and Robust Learning Rate Scheduler for Federated Learning with Hypergradient Descent

The theoretical landscape of federated learning (FL) undergoes rapid evolution, but its practical application encounters a series of intricate challenges, and hyperparameter optimization is one of these critical challenges. Amongst the diverse adjustments in hyperparameters, the adaptation of the learning rate emerges as a crucial component, holding the promise of significantly enhancing the efficacy of FL systems. In response to this critical need, this paper presents FedHyper, a novel hypergradient-based learning rate adaptation algorithm specifically designed for FL. FedHyper serves as a universal learning rate scheduler that can adapt both global and local rates as the training progresses. In addition, FedHyper not only showcases unparalleled robustness to a spectrum of initial learning rate configurations but also significantly alleviates the necessity for laborious empirical learning rate adjustments. We provide a comprehensive theoretical analysis of FedHyper's convergence rate and conduct extensive experiments on vision and language benchmark datasets. The results demonstrate that FEDHYPER consistently converges 1.1-3x faster than FedAvg and the competing baselines while achieving superior final accuracy. Moreover, FedHyper catalyzes a remarkable surge in accuracy, augmenting it by up to 15% compared to FedAvg under suboptimal initial learning rate settings.

Understanding the Impact of Post-Training Quantization on Large Language Models

Large language models (LLMs) are rapidly increasing in size, with the number of parameters becoming a key factor in the success of many commercial models, such as ChatGPT, Claude, and Bard. Even the recently released publicly accessible models for commercial usage, such as Falcon and Llama2, come equipped with billions of parameters. This significant increase in the number of parameters makes deployment and operation very costly. The remarkable progress in the field of quantization for large neural networks in general and LLMs in particular, has made these models more accessible by enabling them to be deployed on consumer-grade GPUs. Quantized models generally demonstrate comparable performance levels to their unquantized base counterparts. Nonetheless, there exists a notable gap in our comprehensive understanding of how these quantized models respond to hyperparameters, such as temperature, max new tokens, and topk, particularly for next word prediction. The present analysis reveals that nf4 and fp4 are equally proficient 4-bit quantization techniques, characterized by similar attributes such as inference speed, memory consumption, and the quality of generated content. the study identifies nf4 as displaying greater resilience to temperature variations in the case of the llama2 series of models at lower temperature, while fp4 and fp4-dq proves to be a more suitable choice for falcon series of models. It is noteworthy that, in general, 4-bit quantized models of varying sizes exhibit higher sensitivity to temperature in the range of 0.5 to 0.8, unlike their unquantized counterparts. Additionally, int8 quantization is associated with significantly slower inference speeds, whereas unquantized bfloat16 models consistently yield the fastest inference speeds across models of all sizes.

MMHCL: Multi-Modal Hypergraph Contrastive Learning for Recommendation

The burgeoning presence of multimodal content-sharing platforms propels the development of personalized recommender systems. Previous works usually suffer from data sparsity and cold-start problems, and may fail to adequately explore semantic user-product associations from multimodal data. To address these issues, we propose a novel Multi-Modal Hypergraph Contrastive Learning (MMHCL) framework for user recommendation. For a comprehensive information exploration from user-product relations, we construct two hypergraphs, i.e. a user-to-user (u2u) hypergraph and an item-to-item (i2i) hypergraph, to mine shared preferences among users and intricate multimodal semantic resemblance among items, respectively. This process yields denser second-order semantics that are fused with first-order user-item interaction as complementary to alleviate the data sparsity issue. Then, we design a contrastive feature enhancement paradigm by applying synergistic contrastive learning. By maximizing/minimizing the mutual information between second-order (e.g. shared preference pattern for users) and first-order (information of selected items for users) embeddings of the same/different users and items, the feature distinguishability can be effectively enhanced. Compared with using sparse primary user-item interaction only, our MMHCL obtains denser second-order hypergraphs and excavates more abundant shared attributes to explore the user-product associations, which to a certain extent alleviates the problems of data sparsity and cold-start. Extensive experiments have comprehensively demonstrated the effectiveness of our method. Our code is publicly available at: https://github.com/Xu107/MMHCL.

Deep Learning and genetic algorithms for cosmological Bayesian inference speed-up

In this paper, we present a novel approach to accelerate the Bayesian inference process, focusing specifically on the nested sampling algorithms. Bayesian inference plays a crucial role in cosmological parameter estimation, providing a robust framework for extracting theoretical insights from observational data. However, its computational demands can be substantial, primarily due to the need for numerous likelihood function evaluations. Our proposed method utilizes the power of deep learning, employing feedforward neural networks to approximate the likelihood function dynamically during the Bayesian inference process. Unlike traditional approaches, our method trains neural networks on-the-fly using the current set of live points as training data, without the need for pre-training. This flexibility enables adaptation to various theoretical models and datasets. We perform simple hyperparameter optimization using genetic algorithms to suggest initial neural network architectures for learning each likelihood function. Once sufficient accuracy is achieved, the neural network replaces the original likelihood function. The implementation integrates with nested sampling algorithms and has been thoroughly evaluated using both simple cosmological dark energy models and diverse observational datasets. Additionally, we explore the potential of genetic algorithms for generating initial live points within nested sampling inference, opening up new avenues for enhancing the efficiency and effectiveness of Bayesian inference methods.

UltraFeedback: Boosting Language Models with High-quality Feedback

Reinforcement learning from human feedback (RLHF) has become a pivot technique in aligning large language models (LLMs) with human preferences. In RLHF practice, preference data plays a crucial role in bridging human proclivity and LLMs. However, the scarcity of diverse, naturalistic datasets of human preferences on LLM outputs at scale poses a great challenge to RLHF as well as feedback learning research within the open-source community. Current preference datasets, either proprietary or limited in size and prompt variety, result in limited RLHF adoption in open-source models and hinder further exploration. In this study, we propose ULTRAFEEDBACK, a large-scale, high-quality, and diversified preference dataset designed to overcome these limitations and foster RLHF development. To create ULTRAFEEDBACK, we compile a diverse array of instructions and models from multiple sources to produce comparative data. We meticulously devise annotation instructions and employ GPT-4 to offer detailed feedback in both numerical and textual forms. ULTRAFEEDBACK establishes a reproducible and expandable preference data construction pipeline, serving as a solid foundation for future RLHF and feedback learning research. Utilizing ULTRAFEEDBACK, we train various models to demonstrate its effectiveness, including the reward model UltraRM, chat language model UltraLM-13B-PPO, and critique model UltraCM. Experimental results indicate that our models outperform existing open-source models, achieving top performance across multiple benchmarks. Our data and models are available at https://github.com/thunlp/UltraFeedback.

Intrinsic Dimensionality Explains the Effectiveness of Language Model Fine-Tuning

Although pretrained language models can be fine-tuned to produce state-of-the-art results for a very wide range of language understanding tasks, the dynamics of this process are not well understood, especially in the low data regime. Why can we use relatively vanilla gradient descent algorithms (e.g., without strong regularization) to tune a model with hundreds of millions of parameters on datasets with only hundreds or thousands of labeled examples? In this paper, we argue that analyzing fine-tuning through the lens of intrinsic dimension provides us with empirical and theoretical intuitions to explain this remarkable phenomenon. We empirically show that common pre-trained models have a very low intrinsic dimension; in other words, there exists a low dimension reparameterization that is as effective for fine-tuning as the full parameter space. For example, by optimizing only 200 trainable parameters randomly projected back into the full space, we can tune a RoBERTa model to achieve 90\% of the full parameter performance levels on MRPC. Furthermore, we empirically show that pre-training implicitly minimizes intrinsic dimension and, perhaps surprisingly, larger models tend to have lower intrinsic dimension after a fixed number of pre-training updates, at least in part explaining their extreme effectiveness. Lastly, we connect intrinsic dimensionality with low dimensional task representations and compression based generalization bounds to provide intrinsic-dimension-based generalization bounds that are independent of the full parameter count.

On the Existence of Simpler Machine Learning Models

It is almost always easier to find an accurate-but-complex model than an accurate-yet-simple model. Finding optimal, sparse, accurate models of various forms (linear models with integer coefficients, decision sets, rule lists, decision trees) is generally NP-hard. We often do not know whether the search for a simpler model will be worthwhile, and thus we do not go to the trouble of searching for one. In this work, we ask an important practical question: can accurate-yet-simple models be proven to exist, or shown likely to exist, before explicitly searching for them? We hypothesize that there is an important reason that simple-yet-accurate models often do exist. This hypothesis is that the size of the Rashomon set is often large, where the Rashomon set is the set of almost-equally-accurate models from a function class. If the Rashomon set is large, it contains numerous accurate models, and perhaps at least one of them is the simple model we desire. In this work, we formally present the Rashomon ratio as a new gauge of simplicity for a learning problem, depending on a function class and a data set. The Rashomon ratio is the ratio of the volume of the set of accurate models to the volume of the hypothesis space, and it is different from standard complexity measures from statistical learning theory. Insight from studying the Rashomon ratio provides an easy way to check whether a simpler model might exist for a problem before finding it, namely whether several different machine learning methods achieve similar performance on the data. In that sense, the Rashomon ratio is a powerful tool for understanding why and when an accurate-yet-simple model might exist. If, as we hypothesize in this work, many real-world data sets admit large Rashomon sets, the implications are vast: it means that simple or interpretable models may often be used for high-stakes decisions without losing accuracy.

LoGAH: Predicting 774-Million-Parameter Transformers using Graph HyperNetworks with 1/100 Parameters

A good initialization of deep learning models is essential since it can help them converge better and faster. However, pretraining large models is unaffordable for many researchers, which makes a desired prediction for initial parameters more necessary nowadays. Graph HyperNetworks (GHNs), one approach to predicting model parameters, have recently shown strong performance in initializing large vision models. Unfortunately, predicting parameters of very wide networks relies on copying small chunks of parameters multiple times and requires an extremely large number of parameters to support full prediction, which greatly hinders its adoption in practice. To address this limitation, we propose LoGAH (Low-rank GrAph Hypernetworks), a GHN with a low-rank parameter decoder that expands to significantly wider networks without requiring as excessive increase of parameters as in previous attempts. LoGAH allows us to predict the parameters of 774-million large neural networks in a memory-efficient manner. We show that vision and language models (i.e., ViT and GPT-2) initialized with LoGAH achieve better performance than those initialized randomly or using existing hypernetworks. Furthermore, we show promising transfer learning results w.r.t. training LoGAH on small datasets and using the predicted parameters to initialize for larger tasks. We provide the codes in https://github.com/Blackzxy/LoGAH .

BARS: Towards Open Benchmarking for Recommender Systems

The past two decades have witnessed the rapid development of personalized recommendation techniques. Despite significant progress made in both research and practice of recommender systems, to date, there is a lack of a widely-recognized benchmarking standard in this field. Many existing studies perform model evaluations and comparisons in an ad-hoc manner, for example, by employing their own private data splits or using different experimental settings. Such conventions not only increase the difficulty in reproducing existing studies, but also lead to inconsistent experimental results among them. This largely limits the credibility and practical value of research results in this field. To tackle these issues, we present an initiative project (namely BARS) aiming for open benchmarking for recommender systems. In comparison to some earlier attempts towards this goal, we take a further step by setting up a standardized benchmarking pipeline for reproducible research, which integrates all the details about datasets, source code, hyper-parameter settings, running logs, and evaluation results. The benchmark is designed with comprehensiveness and sustainability in mind. It covers both matching and ranking tasks, and also enables researchers to easily follow and contribute to the research in this field. This project will not only reduce the redundant efforts of researchers to re-implement or re-run existing baselines, but also drive more solid and reproducible research on recommender systems. We would like to call upon everyone to use the BARS benchmark for future evaluation, and contribute to the project through the portal at: https://openbenchmark.github.io/BARS.

kNN-Embed: Locally Smoothed Embedding Mixtures For Multi-interest Candidate Retrieval

Candidate generation is the first stage in recommendation systems, where a light-weight system is used to retrieve potentially relevant items for an input user. These candidate items are then ranked and pruned in later stages of recommender systems using a more complex ranking model. Since candidate generation is the top of the recommendation funnel, it is important to retrieve a high-recall candidate set to feed into downstream ranking models. A common approach for candidate generation is to leverage approximate nearest neighbor (ANN) search from a single dense query embedding; however, this approach this can yield a low-diversity result set with many near duplicates. As users often have multiple interests, candidate retrieval should ideally return a diverse set of candidates reflective of the user's multiple interests. To this end, we introduce kNN-Embed, a general approach to improving diversity in dense ANN-based retrieval. kNN-Embed represents each user as a smoothed mixture over learned item clusters that represent distinct `interests' of the user. By querying each of a user's mixture component in proportion to their mixture weights, we retrieve a high-diversity set of candidates reflecting elements from each of a user's interests. We experimentally compare kNN-Embed to standard ANN candidate retrieval, and show significant improvements in overall recall and improved diversity across three datasets. Accompanying this work, we open source a large Twitter follow-graph dataset, to spur further research in graph-mining and representation learning for recommender systems.

HyperInterval: Hypernetwork approach to training weight interval regions in continual learning

Recently, a new Continual Learning (CL) paradigm was presented to control catastrophic forgetting, called Interval Continual Learning (InterContiNet), which relies on enforcing interval constraints on the neural network parameter space. Unfortunately, InterContiNet training is challenging due to the high dimensionality of the weight space, making intervals difficult to manage. To address this issue, we introduce HyperInterval, a technique that employs interval arithmetic within the embedding space and utilizes a hypernetwork to map these intervals to the target network parameter space. We train interval embeddings for consecutive tasks and train a hypernetwork to transform these embeddings into weights of the target network. An embedding for a given task is trained along with the hypernetwork, preserving the response of the target network for the previous task embeddings. Interval arithmetic works with a more manageable, lower-dimensional embedding space rather than directly preparing intervals in a high-dimensional weight space. Our model allows faster and more efficient training. Furthermore, HyperInterval maintains the guarantee of not forgetting. At the end of training, we can choose one universal embedding to produce a single network dedicated to all tasks. In such a framework, hypernetwork is used only for training and can be seen as a meta-trainer. HyperInterval obtains significantly better results than InterContiNet and gives SOTA results on several benchmarks.

SimulPL: Aligning Human Preferences in Simultaneous Machine Translation

Simultaneous Machine Translation (SiMT) generates translations while receiving streaming source inputs. This requires the SiMT model to learn a read/write policy, deciding when to translate and when to wait for more source input. Numerous linguistic studies indicate that audiences in SiMT scenarios have distinct preferences, such as accurate translations, simpler syntax, and no unnecessary latency. Aligning SiMT models with these human preferences is crucial to improve their performances. However, this issue still remains unexplored. Additionally, preference optimization for SiMT task is also challenging. Existing methods focus solely on optimizing the generated responses, ignoring human preferences related to latency and the optimization of read/write policy during the preference optimization phase. To address these challenges, we propose Simultaneous Preference Learning (SimulPL), a preference learning framework tailored for the SiMT task. In the SimulPL framework, we categorize SiMT human preferences into five aspects: translation quality preference, monotonicity preference, key point preference, simplicity preference, and latency preference. By leveraging the first four preferences, we construct human preference prompts to efficiently guide GPT-4/4o in generating preference data for the SiMT task. In the preference optimization phase, SimulPL integrates latency preference into the optimization objective and enables SiMT models to improve the read/write policy, thereby aligning with human preferences more effectively. Experimental results indicate that SimulPL exhibits better alignment with human preferences across all latency levels in ZhrightarrowEn, DerightarrowEn and EnrightarrowZh SiMT tasks. Our data and code will be available at https://github.com/EurekaForNLP/SimulPL.

What are the Desired Characteristics of Calibration Sets? Identifying Correlates on Long Form Scientific Summarization

Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE). To address this, recent work has added a calibration step, which exposes a model to its own ranked outputs to improve relevance or, in a separate line of work, contrasts positive and negative sets to improve faithfulness. While effective, much of this work has focused on how to generate and optimize these sets. Less is known about why one setup is more effective than another. In this work, we uncover the underlying characteristics of effective sets. For each training instance, we form a large, diverse pool of candidates and systematically vary the subsets used for calibration fine-tuning. Each selection strategy targets distinct aspects of the sets, such as lexical diversity or the size of the gap between positive and negatives. On three diverse scientific long-form summarization datasets (spanning biomedical, clinical, and chemical domains), we find, among others, that faithfulness calibration is optimal when the negative sets are extractive and more likely to be generated, whereas for relevance calibration, the metric margin between candidates should be maximized and surprise--the disagreement between model and metric defined candidate rankings--minimized. Code to create, select, and optimize calibration sets is available at https://github.com/griff4692/calibrating-summaries

ERASE: Benchmarking Feature Selection Methods for Deep Recommender Systems

Deep Recommender Systems (DRS) are increasingly dependent on a large number of feature fields for more precise recommendations. Effective feature selection methods are consequently becoming critical for further enhancing the accuracy and optimizing storage efficiencies to align with the deployment demands. This research area, particularly in the context of DRS, is nascent and faces three core challenges. Firstly, variant experimental setups across research papers often yield unfair comparisons, obscuring practical insights. Secondly, the existing literature's lack of detailed analysis on selection attributes, based on large-scale datasets and a thorough comparison among selection techniques and DRS backbones, restricts the generalizability of findings and impedes deployment on DRS. Lastly, research often focuses on comparing the peak performance achievable by feature selection methods, an approach that is typically computationally infeasible for identifying the optimal hyperparameters and overlooks evaluating the robustness and stability of these methods. To bridge these gaps, this paper presents ERASE, a comprehensive bEnchmaRk for feAture SElection for DRS. ERASE comprises a thorough evaluation of eleven feature selection methods, covering both traditional and deep learning approaches, across four public datasets, private industrial datasets, and a real-world commercial platform, achieving significant enhancement. Our code is available online for ease of reproduction.

Actions Speak Louder than Words: Trillion-Parameter Sequential Transducers for Generative Recommendations

Large-scale recommendation systems are characterized by their reliance on high cardinality, heterogeneous features and the need to handle tens of billions of user actions on a daily basis. Despite being trained on huge volume of data with thousands of features, most Deep Learning Recommendation Models (DLRMs) in industry fail to scale with compute. Inspired by success achieved by Transformers in language and vision domains, we revisit fundamental design choices in recommendation systems. We reformulate recommendation problems as sequential transduction tasks within a generative modeling framework (``Generative Recommenders''), and propose a new architecture, HSTU, designed for high cardinality, non-stationary streaming recommendation data. HSTU outperforms baselines over synthetic and public datasets by up to 65.8\% in NDCG, and is 5.3x to 15.2x faster than FlashAttention2-based Transformers on 8192 length sequences. HSTU-based Generative Recommenders, with 1.5 trillion parameters, improve metrics in online A/B tests by 12.4\% and have been deployed on multiple surfaces of a large internet platform with billions of users. More importantly, the model quality of Generative Recommenders empirically scales as a power-law of training compute across three orders of magnitude, up to GPT-3/LLaMa-2 scale, which reduces carbon footprint needed for future model developments, and further paves the way for the first foundational models in recommendations.

Can open source large language models be used for tumor documentation in Germany? -- An evaluation on urological doctors' notes

Tumor documentation in Germany is largely done manually, requiring reading patient records and entering data into structured databases. Large language models (LLMs) could potentially enhance this process by improving efficiency and reliability. This evaluation tests eleven different open source LLMs with sizes ranging from 1-70 billion model parameters on three basic tasks of the tumor documentation process: identifying tumor diagnoses, assigning ICD-10 codes, and extracting the date of first diagnosis. For evaluating the LLMs on these tasks, a dataset of annotated text snippets based on anonymized doctors' notes from urology was prepared. Different prompting strategies were used to investigate the effect of the number of examples in few-shot prompting and to explore the capabilities of the LLMs in general. The models Llama 3.1 8B, Mistral 7B, and Mistral NeMo 12 B performed comparably well in the tasks. Models with less extensive training data or having fewer than 7 billion parameters showed notably lower performance, while larger models did not display performance gains. Examples from a different medical domain than urology could also improve the outcome in few-shot prompting, which demonstrates the ability of LLMs to handle tasks needed for tumor documentation. Open source LLMs show a strong potential for automating tumor documentation. Models from 7-12 billion parameters could offer an optimal balance between performance and resource efficiency. With tailored fine-tuning and well-designed prompting, these models might become important tools for clinical documentation in the future. The code for the evaluation is available from https://github.com/stefan-m-lenz/UroLlmEval. We also release the dataset as a new valuable resource that addresses the shortage of authentic and easily accessible benchmarks in German-language medical NLP.

Antidote: Post-fine-tuning Safety Alignment for Large Language Models against Harmful Fine-tuning

Safety aligned Large Language Models (LLMs) are vulnerable to harmful fine-tuning attacks qi2023fine-- a few harmful data mixed in the fine-tuning dataset can break the LLMs's safety alignment. Existing mitigation strategies include alignment stage solutions huang2024vaccine, rosati2024representation and fine-tuning stage solutions huang2024lazy,mukhoti2023fine. However, our evaluation shows that both categories of defenses fail when some specific training hyper-parameters are chosen -- a large learning rate or a large number of training epochs in the fine-tuning stage can easily invalidate the defense, which however, is necessary to guarantee finetune performance. To this end, we propose Antidote, a post-fine-tuning stage solution, which remains \textit{agnostic to the training hyper-parameters in the fine-tuning stage}. Antidote relies on the philosophy that by removing the harmful parameters, the harmful model can be recovered from the harmful behaviors, regardless of how those harmful parameters are formed in the fine-tuning stage. With this philosophy, we introduce a one-shot pruning stage after harmful fine-tuning to remove the harmful weights that are responsible for the generation of harmful content. Despite its embarrassing simplicity, empirical results show that Antidote can reduce harmful score while maintaining accuracy on downstream tasks.Our project page is at https://huangtiansheng.github.io/Antidote_gh_page/

BARS-CTR: Open Benchmarking for Click-Through Rate Prediction

Click-through rate (CTR) prediction is a critical task for many applications, as its accuracy has a direct impact on user experience and platform revenue. In recent years, CTR prediction has been widely studied in both academia and industry, resulting in a wide variety of CTR prediction models. Unfortunately, there is still a lack of standardized benchmarks and uniform evaluation protocols for CTR prediction research. This leads to non-reproducible or even inconsistent experimental results among existing studies, which largely limits the practical value and potential impact of their research. In this work, we aim to perform open benchmarking for CTR prediction and present a rigorous comparison of different models in a reproducible manner. To this end, we ran over 7,000 experiments for more than 12,000 GPU hours in total to re-evaluate 24 existing models on multiple datasets and settings. Surprisingly, our experiments show that with sufficient hyper-parameter search and model tuning, many deep models have smaller differences than expected. The results also reveal that making real progress on the modeling of CTR prediction is indeed a very challenging research task. We believe that our benchmarking work could not only allow researchers to gauge the effectiveness of new models conveniently but also make them fairly compare with the state of the arts. We have publicly released the benchmarking code, evaluation protocols, and hyper-parameter settings of our work to promote reproducible research in this field.

Parameter-Efficient Transfer Learning of Audio Spectrogram Transformers

The common modus operandi of fine-tuning large pre-trained Transformer models entails the adaptation of all their parameters (i.e., full fine-tuning). While achieving striking results on multiple tasks, this approach becomes unfeasible as the model size and the number of downstream tasks increase. In natural language processing and computer vision, parameter-efficient approaches like prompt-tuning and adapters have emerged as solid alternatives by fine-tuning only a small number of extra parameters, without sacrificing performance accuracy. Specifically, adapters, due to their flexibility, have recently garnered significant attention, leading to several variants. For audio classification tasks, the Audio Spectrogram Transformer model shows impressive results. However, surprisingly, how to efficiently adapt it to several downstream tasks has not been tackled before. In this paper, we bridge this gap and present a detailed investigation of common parameter-efficient methods, revealing that adapters consistently outperform the other methods across four benchmarks. This trend is also confirmed in few-shot learning settings and when the total number of trainable parameters increases, demonstrating adapters superior scalability. We finally study the best adapter configuration, as well as the role of residual connections in the learning process. Our code is available at: https://github.com/umbertocappellazzo/PETL AST.