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Dec 16

Evaluating Interpolation and Extrapolation Performance of Neural Retrieval Models

A retrieval model should not only interpolate the training data but also extrapolate well to the queries that are different from the training data. While neural retrieval models have demonstrated impressive performance on ad-hoc search benchmarks, we still know little about how they perform in terms of interpolation and extrapolation. In this paper, we demonstrate the importance of separately evaluating the two capabilities of neural retrieval models. Firstly, we examine existing ad-hoc search benchmarks from the two perspectives. We investigate the distribution of training and test data and find a considerable overlap in query entities, query intent, and relevance labels. This finding implies that the evaluation on these test sets is biased toward interpolation and cannot accurately reflect the extrapolation capacity. Secondly, we propose a novel evaluation protocol to separately evaluate the interpolation and extrapolation performance on existing benchmark datasets. It resamples the training and test data based on query similarity and utilizes the resampled dataset for training and evaluation. Finally, we leverage the proposed evaluation protocol to comprehensively revisit a number of widely-adopted neural retrieval models. Results show models perform differently when moving from interpolation to extrapolation. For example, representation-based retrieval models perform almost as well as interaction-based retrieval models in terms of interpolation but not extrapolation. Therefore, it is necessary to separately evaluate both interpolation and extrapolation performance and the proposed resampling method serves as a simple yet effective evaluation tool for future IR studies.

  • 7 authors
·
Apr 25, 2022

MobileLLM-R1: Exploring the Limits of Sub-Billion Language Model Reasoners with Open Training Recipes

The paradigm shift in large language models (LLMs) from instinctive responses to chain-of-thought (CoT) reasoning has fueled two prevailing assumptions: (1) reasoning capabilities only emerge in sufficiently large models, and (2) such capabilities require training on massive datasets. While the first assumption has already been challenged by recent sub-billion-parameter reasoning models such as Qwen3-0.6B and DeepSeek distilled variants, the second remains largely unquestioned. In this work, we revisit the necessity of scaling to extremely large corpora (>10T tokens) for reasoning emergence. By carefully curating and resampling open-source datasets that we identify as beneficial under our designed metrics, we demonstrate that strong reasoning abilities can emerge with far less data. Specifically, we show that only ~2T tokens of high-quality data are sufficient, and pre-training with 4.2T tokens on the dataset resampled from these ~2T tokens, followed by a established post-training procedure, enables the development of MobileLLM-R1, a series of sub-billion-parameter reasoning models that substantially outperform prior models trained on fully open-sourced data. For example, MobileLLM-R1-950M achieves an AIME score of 15.5, compared to just 0.6 for OLMo-2-1.48B and 0.3 for SmolLM-2-1.7B. Remarkably, despite being trained on only 11.7% of the tokens compared to Qwen3's proprietary 36T-token corpus for pretraining, MobileLLM-R1-950M matches or surpasses Qwen3-0.6B across multiple reasoning benchmarks. To facilitate further research in this direction, we have released the complete training recipe, data sources, data mixing ratio, and model checkpoints, together with the key insights obtained throughout this study.

  • 11 authors
·
Sep 29

FAIR Jupyter: a knowledge graph approach to semantic sharing and granular exploration of a computational notebook reproducibility dataset

The way in which data are shared can affect their utility and reusability. Here, we demonstrate how data that we had previously shared in bulk can be mobilized further through a knowledge graph that allows for much more granular exploration and interrogation. The original dataset is about the computational reproducibility of GitHub-hosted Jupyter notebooks associated with biomedical publications. It contains rich metadata about the publications, associated GitHub repositories and Jupyter notebooks, and the notebooks' reproducibility. We took this dataset, converted it into semantic triples and loaded these into a triple store to create a knowledge graph, FAIR Jupyter, that we made accessible via a web service. This enables granular data exploration and analysis through queries that can be tailored to specific use cases. Such queries may provide details about any of the variables from the original dataset, highlight relationships between them or combine some of the graph's content with materials from corresponding external resources. We provide a collection of example queries addressing a range of use cases in research and education. We also outline how sets of such queries can be used to profile specific content types, either individually or by class. We conclude by discussing how such a semantically enhanced sharing of complex datasets can both enhance their FAIRness, i.e., their findability, accessibility, interoperability, and reusability, and help identify and communicate best practices, particularly with regards to data quality, standardization, automation and reproducibility.

  • 2 authors
·
Apr 19, 2024

Retrieval-Augmented Data Augmentation for Low-Resource Domain Tasks

Despite large successes of recent language models on diverse tasks, they suffer from severe performance degeneration in low-resource settings with limited training data available. Many existing works tackle this problem by generating synthetic data from the training data and then training models on them, recently using Large Language Models (LLMs). However, in low-resource settings, the amount of seed data samples to use for data augmentation is very small, which makes generated samples suboptimal and less diverse. To tackle this challenge, we propose a novel method that augments training data by incorporating a wealth of examples from other datasets, along with the given training data. Specifically, we first retrieve the relevant instances from other datasets, such as their input-output pairs or contexts, based on their similarities with the given seed data, and then prompt LLMs to generate new samples with the contextual information within and across the original and retrieved samples. This approach can ensure that the generated data is not only relevant but also more diverse than what could be achieved using the limited seed data alone. We validate our proposed Retrieval-Augmented Data Augmentation (RADA) framework on multiple datasets under low-resource settings of training and test-time data augmentation scenarios, on which it outperforms existing LLM-powered data augmentation baselines.

  • 4 authors
·
Feb 20, 2024

Learning from Noisy Labels via Self-Taught On-the-Fly Meta Loss Rescaling

Correct labels are indispensable for training effective machine learning models. However, creating high-quality labels is expensive, and even professionally labeled data contains errors and ambiguities. Filtering and denoising can be applied to curate labeled data prior to training, at the cost of additional processing and loss of information. An alternative is on-the-fly sample reweighting during the training process to decrease the negative impact of incorrect or ambiguous labels, but this typically requires clean seed data. In this work we propose unsupervised on-the-fly meta loss rescaling to reweight training samples. Crucially, we rely only on features provided by the model being trained, to learn a rescaling function in real time without knowledge of the true clean data distribution. We achieve this via a novel meta learning setup that samples validation data for the meta update directly from the noisy training corpus by employing the rescaling function being trained. Our proposed method consistently improves performance across various NLP tasks with minimal computational overhead. Further, we are among the first to attempt on-the-fly training data reweighting on the challenging task of dialogue modeling, where noisy and ambiguous labels are common. Our strategy is robust in the face of noisy and clean data, handles class imbalance, and prevents overfitting to noisy labels. Our self-taught loss rescaling improves as the model trains, showing the ability to keep learning from the model's own signals. As training progresses, the impact of correctly labeled data is scaled up, while the impact of wrongly labeled data is suppressed.

  • 9 authors
·
Dec 17, 2024

Preserving Statistical Validity in Adaptive Data Analysis

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

  • 6 authors
·
Nov 10, 2014

DATED: Guidelines for Creating Synthetic Datasets for Engineering Design Applications

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

  • 3 authors
·
May 15, 2023

Diversify and Conquer: Diversity-Centric Data Selection with Iterative Refinement

Finetuning large language models on instruction data is crucial for enhancing pre-trained knowledge and improving instruction-following capabilities. As instruction datasets proliferate, selecting optimal data for effective training becomes increasingly important. This work addresses the question: How can we determine the optimal subset of data for effective training? While existing research often emphasizes local criteria like instance quality for subset selection, we argue that a global approach focused on data diversity is more critical. Our method employs k-means clustering to ensure the selected subset effectively represents the full dataset. We propose an iterative refinement method inspired by active learning techniques to resample instances from clusters, reassessing each cluster's importance and sampling weight in every training iteration. This approach reduces the effect of outliers and automatically filters out clusters containing low-quality data. Through extensive evaluation across natural language reasoning, general world knowledge, code and math reasoning tasks, and by fine-tuning models from various families, we observe consistent improvements, achieving a 7% increase over random selection and a 3.8% improvement over state-of-the-art sampling methods. Our work highlights the significance of diversity-first sampling when finetuning LLMs to enhance performance across a broad array of evaluation tasks. Our code is available at https://github.com/for-ai/iterative-data-selection.

  • 4 authors
·
Sep 17, 2024

Recycling the Web: A Method to Enhance Pre-training Data Quality and Quantity for Language Models

Scaling laws predict that the performance of large language models improves with increasing model size and data size. In practice, pre-training has been relying on massive web crawls, using almost all data sources publicly available on the internet so far. However, this pool of natural data does not grow at the same rate as the compute supply. Furthermore, the availability of high-quality texts is even more limited: data filtering pipelines often remove up to 99% of the initial web scrapes to achieve state-of-the-art. To address the "data wall" of pre-training scaling, our work explores ways to transform and recycle data discarded in existing filtering processes. We propose REWIRE, REcycling the Web with guIded REwrite, a method to enrich low-quality documents so that they could become useful for training. This in turn allows us to increase the representation of synthetic data in the final pre-training set. Experiments at 1B, 3B and 7B scales of the DCLM benchmark show that mixing high-quality raw texts and our rewritten texts lead to 1.0, 1.3 and 2.5 percentage points improvement respectively across 22 diverse tasks, compared to training on only filtered web data. Training on the raw-synthetic data mix is also more effective than having access to 2x web data. Through further analysis, we demonstrate that about 82% of the mixed in texts come from transforming lower-quality documents that would otherwise be discarded. REWIRE also outperforms related approaches of generating synthetic data, including Wikipedia-style paraphrasing, question-answer synthesizing and knowledge extraction. These results suggest that recycling web texts holds the potential for being a simple and effective approach for scaling pre-training data.

  • 7 authors
·
Jun 5

Diverse Data Augmentation with Diffusions for Effective Test-time Prompt Tuning

Benefiting from prompt tuning, recent years have witnessed the promising performance of pre-trained vision-language models, e.g., CLIP, on versatile downstream tasks. In this paper, we focus on a particular setting of learning adaptive prompts on the fly for each test sample from an unseen new domain, which is known as test-time prompt tuning (TPT). Existing TPT methods typically rely on data augmentation and confidence selection. However, conventional data augmentation techniques, e.g., random resized crops, suffers from the lack of data diversity, while entropy-based confidence selection alone is not sufficient to guarantee prediction fidelity. To address these issues, we propose a novel TPT method, named DiffTPT, which leverages pre-trained diffusion models to generate diverse and informative new data. Specifically, we incorporate augmented data by both conventional method and pre-trained stable diffusion to exploit their respective merits, improving the models ability to adapt to unknown new test data. Moreover, to ensure the prediction fidelity of generated data, we introduce a cosine similarity-based filtration technique to select the generated data with higher similarity to the single test sample. Our experiments on test datasets with distribution shifts and unseen categories demonstrate that DiffTPT improves the zero-shot accuracy by an average of 5.13\% compared to the state-of-the-art TPT method. Our code and models will be publicly released.

  • 5 authors
·
Aug 11, 2023

How much is a noisy image worth? Data Scaling Laws for Ambient Diffusion

The quality of generative models depends on the quality of the data they are trained on. Creating large-scale, high-quality datasets is often expensive and sometimes impossible, e.g. in certain scientific applications where there is no access to clean data due to physical or instrumentation constraints. Ambient Diffusion and related frameworks train diffusion models with solely corrupted data (which are usually cheaper to acquire) but ambient models significantly underperform models trained on clean data. We study this phenomenon at scale by training more than 80 models on data with different corruption levels across three datasets ranging from 30,000 to approx 1.3M samples. We show that it is impossible, at these sample sizes, to match the performance of models trained on clean data when only training on noisy data. Yet, a combination of a small set of clean data (e.g.~10% of the total dataset) and a large set of highly noisy data suffices to reach the performance of models trained solely on similar-size datasets of clean data, and in particular to achieve near state-of-the-art performance. We provide theoretical evidence for our findings by developing novel sample complexity bounds for learning from Gaussian Mixtures with heterogeneous variances. Our theoretical model suggests that, for large enough datasets, the effective marginal utility of a noisy sample is exponentially worse than that of a clean sample. Providing a small set of clean samples can significantly reduce the sample size requirements for noisy data, as we also observe in our experiments.

  • 3 authors
·
Nov 4, 2024

Automatic Data Augmentation via Invariance-Constrained Learning

Underlying data structures, such as symmetries or invariances to transformations, are often exploited to improve the solution of learning tasks. However, embedding these properties in models or learning algorithms can be challenging and computationally intensive. Data augmentation, on the other hand, induces these symmetries during training by applying multiple transformations to the input data. Despite its ubiquity, its effectiveness depends on the choices of which transformations to apply, when to do so, and how often. In fact, there is both empirical and theoretical evidence that the indiscriminate use of data augmentation can introduce biases that outweigh its benefits. This work tackles these issues by automatically adapting the data augmentation while solving the learning task. To do so, it formulates data augmentation as an invariance-constrained learning problem and leverages Monte Carlo Markov Chain (MCMC) sampling to solve it. The result is a practical algorithm that not only does away with a priori searches for augmentation distributions, but also dynamically controls if and when data augmentation is applied. Our experiments illustrate the performance of this method, which achieves state-of-the-art results in automatic data augmentation benchmarks for CIFAR datasets. Furthermore, this approach can be used to gather insights on the actual symmetries underlying a learning task.

  • 3 authors
·
Sep 29, 2022

Benchmarks for Pirá 2.0, a Reading Comprehension Dataset about the Ocean, the Brazilian Coast, and Climate Change

Pir\'a is a reading comprehension dataset focused on the ocean, the Brazilian coast, and climate change, built from a collection of scientific abstracts and reports on these topics. This dataset represents a versatile language resource, particularly useful for testing the ability of current machine learning models to acquire expert scientific knowledge. Despite its potential, a detailed set of baselines has not yet been developed for Pir\'a. By creating these baselines, researchers can more easily utilize Pir\'a as a resource for testing machine learning models across a wide range of question answering tasks. In this paper, we define six benchmarks over the Pir\'a dataset, covering closed generative question answering, machine reading comprehension, information retrieval, open question answering, answer triggering, and multiple choice question answering. As part of this effort, we have also produced a curated version of the original dataset, where we fixed a number of grammar issues, repetitions, and other shortcomings. Furthermore, the dataset has been extended in several new directions, so as to face the aforementioned benchmarks: translation of supporting texts from English into Portuguese, classification labels for answerability, automatic paraphrases of questions and answers, and multiple choice candidates. The results described in this paper provide several points of reference for researchers interested in exploring the challenges provided by the Pir\'a dataset.

  • 8 authors
·
Sep 19, 2023

Multi-resolution Networks For Flexible Irregular Time Series Modeling (Multi-FIT)

Missing values, irregularly collected samples, and multi-resolution signals commonly occur in multivariate time series data, making predictive tasks difficult. These challenges are especially prevalent in the healthcare domain, where patients' vital signs and electronic records are collected at different frequencies and have occasionally missing information due to the imperfections in equipment or patient circumstances. Researchers have handled each of these issues differently, often handling missing data through mean value imputation and then using sequence models over the multivariate signals while ignoring the different resolution of signals. We propose a unified model named Multi-resolution Flexible Irregular Time series Network (Multi-FIT). The building block for Multi-FIT is the FIT network. The FIT network creates an informative dense representation at each time step using signal information such as last observed value, time difference since the last observed time stamp and overall mean for the signal. Vertical FIT (FIT-V) is a variant of FIT which also models the relationship between different temporal signals while creating the informative dense representations for the signal. The multi-FIT model uses multiple FIT networks for sets of signals with different resolutions, further facilitating the construction of flexible representations. Our model has three main contributions: a.) it does not impute values but rather creates informative representations to provide flexibility to the model for creating task-specific representations b.) it models the relationship between different signals in the form of support signals c.) it models different resolutions in parallel before merging them for the final prediction task. The FIT, FIT-V and Multi-FIT networks improve upon the state-of-the-art models for three predictive tasks, including the forecasting of patient survival.

  • 7 authors
·
Apr 30, 2019

Rephrasing natural text data with different languages and quality levels for Large Language Model pre-training

Recently published work on rephrasing natural text data for pre-training LLMs has shown promising results when combining the original dataset with the synthetically rephrased data. We build upon previous work by replicating existing results on C4 and extending them with our optimized rephrasing pipeline to the English, German, Italian, and Spanish Oscar subsets of CulturaX. Our pipeline leads to increased performance on standard evaluation benchmarks in both the mono- and multilingual setup. In addition, we provide a detailed study of our pipeline, investigating the choice of the base dataset and LLM for the rephrasing, as well as the relationship between the model size and the performance after pre-training. By exploring data with different perceived quality levels, we show that gains decrease with higher quality. Furthermore, we find the difference in performance between model families to be bigger than between different model sizes. This highlights the necessity for detailed tests before choosing an LLM to rephrase large amounts of data. Moreover, we investigate the effect of pre-training with synthetic data on supervised fine-tuning. Here, we find increasing but inconclusive results that highly depend on the used benchmark. These results (again) highlight the need for better benchmarking setups. In summary, we show that rephrasing multilingual and low-quality data is a very promising direction to extend LLM pre-training data.

  • 12 authors
·
Oct 28, 2024

Improving Feature Stability during Upsampling -- Spectral Artifacts and the Importance of Spatial Context

Pixel-wise predictions are required in a wide variety of tasks such as image restoration, image segmentation, or disparity estimation. Common models involve several stages of data resampling, in which the resolution of feature maps is first reduced to aggregate information and then increased to generate a high-resolution output. Previous works have shown that resampling operations are subject to artifacts such as aliasing. During downsampling, aliases have been shown to compromise the prediction stability of image classifiers. During upsampling, they have been leveraged to detect generated content. Yet, the effect of aliases during upsampling has not yet been discussed w.r.t. the stability and robustness of pixel-wise predictions. While falling under the same term (aliasing), the challenges for correct upsampling in neural networks differ significantly from those during downsampling: when downsampling, some high frequencies can not be correctly represented and have to be removed to avoid aliases. However, when upsampling for pixel-wise predictions, we actually require the model to restore such high frequencies that can not be encoded in lower resolutions. The application of findings from signal processing is therefore a necessary but not a sufficient condition to achieve the desirable output. In contrast, we find that the availability of large spatial context during upsampling allows to provide stable, high-quality pixel-wise predictions, even when fully learning all filter weights.

  • 3 authors
·
Nov 29, 2023

TabEBM: A Tabular Data Augmentation Method with Distinct Class-Specific Energy-Based Models

Data collection is often difficult in critical fields such as medicine, physics, and chemistry. As a result, classification methods usually perform poorly with these small datasets, leading to weak predictive performance. Increasing the training set with additional synthetic data, similar to data augmentation in images, is commonly believed to improve downstream classification performance. However, current tabular generative methods that learn either the joint distribution p(x, y) or the class-conditional distribution p(x mid y) often overfit on small datasets, resulting in poor-quality synthetic data, usually worsening classification performance compared to using real data alone. To solve these challenges, we introduce TabEBM, a novel class-conditional generative method using Energy-Based Models (EBMs). Unlike existing methods that use a shared model to approximate all class-conditional densities, our key innovation is to create distinct EBM generative models for each class, each modelling its class-specific data distribution individually. This approach creates robust energy landscapes, even in ambiguous class distributions. Our experiments show that TabEBM generates synthetic data with higher quality and better statistical fidelity than existing methods. When used for data augmentation, our synthetic data consistently improves the classification performance across diverse datasets of various sizes, especially small ones. Code is available at https://github.com/andreimargeloiu/TabEBM.

  • 4 authors
·
Sep 24, 2024

Extending the WILDS Benchmark for Unsupervised Adaptation

Machine learning systems deployed in the wild are often trained on a source distribution but deployed on a different target distribution. Unlabeled data can be a powerful point of leverage for mitigating these distribution shifts, as it is frequently much more available than labeled data and can often be obtained from distributions beyond the source distribution as well. However, existing distribution shift benchmarks with unlabeled data do not reflect the breadth of scenarios that arise in real-world applications. In this work, we present the WILDS 2.0 update, which extends 8 of the 10 datasets in the WILDS benchmark of distribution shifts to include curated unlabeled data that would be realistically obtainable in deployment. These datasets span a wide range of applications (from histology to wildlife conservation), tasks (classification, regression, and detection), and modalities (photos, satellite images, microscope slides, text, molecular graphs). The update maintains consistency with the original WILDS benchmark by using identical labeled training, validation, and test sets, as well as the evaluation metrics. On these datasets, we systematically benchmark state-of-the-art methods that leverage unlabeled data, including domain-invariant, self-training, and self-supervised methods, and show that their success on WILDS is limited. To facilitate method development and evaluation, we provide an open-source package that automates data loading and contains all of the model architectures and methods used in this paper. Code and leaderboards are available at https://wilds.stanford.edu.

  • 20 authors
·
Dec 9, 2021

Data Selection for Language Models via Importance Resampling

Selecting a suitable training dataset is crucial for both general-domain (e.g., GPT-3) and domain-specific (e.g., Codex) language models (LMs). We formalize this data selection problem as selecting a subset of a large raw unlabeled dataset to match a desired target distribution, given some unlabeled target samples. Due to the large scale and dimensionality of the raw text data, existing methods use simple heuristics to select data that are similar to a high-quality reference corpus (e.g., Wikipedia), or leverage experts to manually curate data. Instead, we extend the classic importance resampling approach used in low-dimensions for LM data selection. Crucially, we work in a reduced feature space to make importance weight estimation tractable over the space of text. To determine an appropriate feature space, we first show that KL reduction, a data metric that measures the proximity between selected data and the target in a feature space, has high correlation with average accuracy on 8 downstream tasks (r=0.89) when computed with simple n-gram features. From this observation, we present Data Selection with Importance Resampling (DSIR), an efficient and scalable algorithm that estimates importance weights in a reduced feature space (e.g., n-gram features in our instantiation) and selects data with importance resampling according to these weights. When training general-domain models (target is Wikipedia + books), DSIR improves over random selection and heuristic filtering baselines by 2--2.5% on the GLUE benchmark. When performing continued pretraining towards a specific domain, DSIR performs comparably to expert curated data across 8 target distributions.

  • 4 authors
·
Feb 6, 2023

Don't Play Favorites: Minority Guidance for Diffusion Models

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating a sufficient number of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves ineffective and time-consuming for the minority generating task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first highlight that Tweedie's denoising formula yields favorable results for majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating high-quality minority samples over existing generative samplers. We showcase that the performance benefit of our framework persists even in demanding real-world scenarios such as medical imaging, further underscoring the practical significance of our work. Code is available at https://github.com/soobin-um/minority-guidance.

  • 3 authors
·
Jan 28, 2023

Inference Scaling scriptsizeFLaws: The Limits of LLM Resampling with Imperfect Verifiers

Recent research has generated hope that inference scaling could allow weaker language models to match or exceed the accuracy of stronger models, such as by repeatedly sampling solutions to a coding problem until it passes unit tests. The central thesis of this paper is that there is no free lunch for inference scaling: indefinite accuracy improvement through resampling can only be realized if the "verifier" (in this case, a set of unit tests) is perfect. When the verifier is imperfect, as it almost always is in domains such as reasoning or coding (for example, unit tests have imperfect coverage), there is a nonzero probability of false positives: incorrect solutions that pass the verifier. Resampling cannot decrease this probability, so it imposes an upper bound to the accuracy of resampling-based inference scaling even with an infinite compute budget. We find that there is a very strong correlation between the model's single-sample accuracy (i.e. accuracy without unit tests) and its false positive rate on coding benchmarks HumanEval and MBPP, whose unit tests have limited coverage. Therefore, no amount of inference scaling of weaker models can enable them to match the single-sample accuracy of a sufficiently strong model (Fig. 1a). When we consider that false positives have a negative utility compared to abstaining from producing a solution, it bends the inference scaling curve further downward. Empirically, we find that the optimal number of samples can be less than 10 under realistic assumptions (Fig. 1b). Finally, we show that beyond accuracy, false positives may have other undesirable qualities, such as poor adherence to coding style conventions.

  • 3 authors
·
Nov 26, 2024

Quality Not Quantity: On the Interaction between Dataset Design and Robustness of CLIP

Web-crawled datasets have enabled remarkable generalization capabilities in recent image-text models such as CLIP (Contrastive Language-Image pre-training) or Flamingo, but little is known about the dataset creation processes. In this work, we introduce a testbed of six publicly available data sources - YFCC, LAION, Conceptual Captions, WIT, RedCaps, Shutterstock - to investigate how pre-training distributions induce robustness in CLIP. We find that the performance of the pre-training data varies substantially across distribution shifts, with no single data source dominating. Moreover, we systematically study the interactions between these data sources and find that combining multiple sources does not necessarily yield better models, but rather dilutes the robustness of the best individual data source. We complement our empirical findings with theoretical insights from a simple setting, where combining the training data also results in diluted robustness. In addition, our theoretical model provides a candidate explanation for the success of the CLIP-based data filtering technique recently employed in the LAION dataset. Overall our results demonstrate that simply gathering a large amount of data from the web is not the most effective way to build a pre-training dataset for robust generalization, necessitating further study into dataset design. Code is available at https://github.com/mlfoundations/clip_quality_not_quantity.

  • 5 authors
·
Aug 10, 2022

Automatic Personalized Impression Generation for PET Reports Using Large Language Models

In this study, we aimed to determine if fine-tuned large language models (LLMs) can generate accurate, personalized impressions for whole-body PET reports. Twelve language models were trained on a corpus of PET reports using the teacher-forcing algorithm, with the report findings as input and the clinical impressions as reference. An extra input token encodes the reading physician's identity, allowing models to learn physician-specific reporting styles. Our corpus comprised 37,370 retrospective PET reports collected from our institution between 2010 and 2022. To identify the best LLM, 30 evaluation metrics were benchmarked against quality scores from two nuclear medicine (NM) physicians, with the most aligned metrics selecting the model for expert evaluation. In a subset of data, model-generated impressions and original clinical impressions were assessed by three NM physicians according to 6 quality dimensions (3-point scale) and an overall utility score (5-point scale). Each physician reviewed 12 of their own reports and 12 reports from other physicians. Bootstrap resampling was used for statistical analysis. Of all evaluation metrics, domain-adapted BARTScore and PEGASUSScore showed the highest Spearman's rank correlations (0.568 and 0.563) with physician preferences. Based on these metrics, the fine-tuned PEGASUS model was selected as the top LLM. When physicians reviewed PEGASUS-generated impressions in their own style, 89% were considered clinically acceptable, with a mean utility score of 4.08 out of 5. Physicians rated these personalized impressions as comparable in overall utility to the impressions dictated by other physicians (4.03, P=0.41). In conclusion, personalized impressions generated by PEGASUS were clinically useful, highlighting its potential to expedite PET reporting.

  • 11 authors
·
Sep 18, 2023

Is linguistically-motivated data augmentation worth it?

Data augmentation, a widely-employed technique for addressing data scarcity, involves generating synthetic data examples which are then used to augment available training data. Researchers have seen surprising success from simple methods, such as random perturbations from natural examples, where models seem to benefit even from data with nonsense words, or data that doesn't conform to the rules of the language. A second line of research produces synthetic data that does in fact follow all linguistic constraints; these methods require some linguistic expertise and are generally more challenging to implement. No previous work has done a systematic, empirical comparison of both linguistically-naive and linguistically-motivated data augmentation strategies, leaving uncertainty about whether the additional time and effort of linguistically-motivated data augmentation work in fact yields better downstream performance. In this work, we conduct a careful and comprehensive comparison of augmentation strategies (both linguistically-naive and linguistically-motivated) for two low-resource languages with different morphological properties, Uspanteko and Arapaho. We evaluate the effectiveness of many different strategies and their combinations across two important sequence-to-sequence tasks for low-resource languages: machine translation and interlinear glossing. We find that linguistically-motivated strategies can have benefits over naive approaches, but only when the new examples they produce are not significantly unlike the training data distribution.

  • 3 authors
·
Jun 4

A Survey on Data Selection for Language Models

A major factor in the recent success of large language models is the use of enormous and ever-growing text datasets for unsupervised pre-training. However, naively training a model on all available data may not be optimal (or feasible), as the quality of available text data can vary. Filtering out data can also decrease the carbon footprint and financial costs of training models by reducing the amount of training required. Data selection methods aim to determine which candidate data points to include in the training dataset and how to appropriately sample from the selected data points. The promise of improved data selection methods has caused the volume of research in the area to rapidly expand. However, because deep learning is mostly driven by empirical evidence and experimentation on large-scale data is expensive, few organizations have the resources for extensive data selection research. Consequently, knowledge of effective data selection practices has become concentrated within a few organizations, many of which do not openly share their findings and methodologies. To narrow this gap in knowledge, we present a comprehensive review of existing literature on data selection methods and related research areas, providing a taxonomy of existing approaches. By describing the current landscape of research, this work aims to accelerate progress in data selection by establishing an entry point for new and established researchers. Additionally, throughout this review we draw attention to noticeable holes in the literature and conclude the paper by proposing promising avenues for future research.

  • 14 authors
·
Feb 26, 2024

Self-Consuming Generative Models with Curated Data Provably Optimize Human Preferences

The rapid progress in generative models has resulted in impressive leaps in generation quality, blurring the lines between synthetic and real data. Web-scale datasets are now prone to the inevitable contamination by synthetic data, directly impacting the training of future generated models. Already, some theoretical results on self-consuming generative models (a.k.a., iterative retraining) have emerged in the literature, showcasing that either model collapse or stability could be possible depending on the fraction of generated data used at each retraining step. However, in practice, synthetic data is often subject to human feedback and curated by users before being used and uploaded online. For instance, many interfaces of popular text-to-image generative models, such as Stable Diffusion or Midjourney, produce several variations of an image for a given query which can eventually be curated by the users. In this paper, we theoretically study the impact of data curation on iterated retraining of generative models and show that it can be seen as an implicit preference optimization mechanism. However, unlike standard preference optimization, the generative model does not have access to the reward function or negative samples needed for pairwise comparisons. Moreover, our study doesn't require access to the density function, only to samples. We prove that, if the data is curated according to a reward model, then the expected reward of the iterative retraining procedure is maximized. We further provide theoretical results on the stability of the retraining loop when using a positive fraction of real data at each step. Finally, we conduct illustrative experiments on both synthetic datasets and on CIFAR10 showing that such a procedure amplifies biases of the reward model.

  • 4 authors
·
Jun 12, 2024

Rethinking Symbolic Regression Datasets and Benchmarks for Scientific Discovery

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

  • 5 authors
·
Jun 21, 2022

MIG: Automatic Data Selection for Instruction Tuning by Maximizing Information Gain in Semantic Space

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

  • 6 authors
·
Apr 18 3

OpenMathInstruct-2: Accelerating AI for Math with Massive Open-Source Instruction Data

Mathematical reasoning continues to be a critical challenge in large language model (LLM) development with significant interest. However, most of the cutting-edge progress in mathematical reasoning with LLMs has become closed-source due to lack of access to training data. This lack of data access limits researchers from understanding the impact of different choices for synthesizing and utilizing the data. With the goal of creating a high-quality finetuning (SFT) dataset for math reasoning, we conduct careful ablation experiments on data synthesis using the recently released Llama3.1 family of models. Our experiments show that: (a) solution format matters, with excessively verbose solutions proving detrimental to SFT performance, (b) data generated by a strong teacher outperforms on-policy data generated by a weak student model, (c) SFT is robust to low-quality solutions, allowing for imprecise data filtering, and (d) question diversity is crucial for achieving data scaling gains. Based on these insights, we create the OpenMathInstruct-2 dataset, which consists of 14M question-solution pairs (approx 600K unique questions), making it nearly eight times larger than the previous largest open-source math reasoning dataset. Finetuning the Llama-3.1-8B-Base using OpenMathInstruct-2 outperforms Llama3.1-8B-Instruct on MATH by an absolute 15.9\% (51.9\% rightarrow 67.8\%). Finally, to accelerate the open-source efforts, we release the code, the finetuned models, and the OpenMathInstruct-2 dataset under a commercially permissive license.

  • 6 authors
·
Oct 2, 2024

MetaShift: A Dataset of Datasets for Evaluating Contextual Distribution Shifts and Training Conflicts

Understanding the performance of machine learning models across diverse data distributions is critically important for reliable applications. Motivated by this, there is a growing focus on curating benchmark datasets that capture distribution shifts. While valuable, the existing benchmarks are limited in that many of them only contain a small number of shifts and they lack systematic annotation about what is different across different shifts. We present MetaShift--a collection of 12,868 sets of natural images across 410 classes--to address this challenge. We leverage the natural heterogeneity of Visual Genome and its annotations to construct MetaShift. The key construction idea is to cluster images using its metadata, which provides context for each image (e.g. "cats with cars" or "cats in bathroom") that represent distinct data distributions. MetaShift has two important benefits: first, it contains orders of magnitude more natural data shifts than previously available. Second, it provides explicit explanations of what is unique about each of its data sets and a distance score that measures the amount of distribution shift between any two of its data sets. We demonstrate the utility of MetaShift in benchmarking several recent proposals for training models to be robust to data shifts. We find that the simple empirical risk minimization performs the best when shifts are moderate and no method had a systematic advantage for large shifts. We also show how MetaShift can help to visualize conflicts between data subsets during model training.

  • 2 authors
·
Feb 14, 2022

Single and Multi-Hop Question-Answering Datasets for Reticular Chemistry with GPT-4-Turbo

The rapid advancement in artificial intelligence and natural language processing has led to the development of large-scale datasets aimed at benchmarking the performance of machine learning models. Herein, we introduce 'RetChemQA,' a comprehensive benchmark dataset designed to evaluate the capabilities of such models in the domain of reticular chemistry. This dataset includes both single-hop and multi-hop question-answer pairs, encompassing approximately 45,000 Q&As for each type. The questions have been extracted from an extensive corpus of literature containing about 2,530 research papers from publishers including NAS, ACS, RSC, Elsevier, and Nature Publishing Group, among others. The dataset has been generated using OpenAI's GPT-4 Turbo, a cutting-edge model known for its exceptional language understanding and generation capabilities. In addition to the Q&A dataset, we also release a dataset of synthesis conditions extracted from the corpus of literature used in this study. The aim of RetChemQA is to provide a robust platform for the development and evaluation of advanced machine learning algorithms, particularly for the reticular chemistry community. The dataset is structured to reflect the complexities and nuances of real-world scientific discourse, thereby enabling nuanced performance assessments across a variety of tasks. The dataset is available at the following link: https://github.com/nakulrampal/RetChemQA

  • 14 authors
·
May 3, 2024

Exploring the Potential of AI-Generated Synthetic Datasets: A Case Study on Telematics Data with ChatGPT

This research delves into the construction and utilization of synthetic datasets, specifically within the telematics sphere, leveraging OpenAI's powerful language model, ChatGPT. Synthetic datasets present an effective solution to challenges pertaining to data privacy, scarcity, and control over variables - characteristics that make them particularly valuable for research pursuits. The utility of these datasets, however, largely depends on their quality, measured through the lenses of diversity, relevance, and coherence. To illustrate this data creation process, a hands-on case study is conducted, focusing on the generation of a synthetic telematics dataset. The experiment involved an iterative guidance of ChatGPT, progressively refining prompts and culminating in the creation of a comprehensive dataset for a hypothetical urban planning scenario in Columbus, Ohio. Upon generation, the synthetic dataset was subjected to an evaluation, focusing on the previously identified quality parameters and employing descriptive statistics and visualization techniques for a thorough analysis. Despite synthetic datasets not serving as perfect replacements for actual world data, their potential in specific use-cases, when executed with precision, is significant. This research underscores the potential of AI models like ChatGPT in enhancing data availability for complex sectors like telematics, thus paving the way for a myriad of new research opportunities.

  • 1 authors
·
Jun 23, 2023

Rephrasing the Web: A Recipe for Compute and Data-Efficient Language Modeling

Large language models are trained on massive scrapes of the web, which are often unstructured, noisy, and poorly phrased. Current scaling laws show that learning from such data requires an abundance of both compute and data, which grows with the size of the model being trained. This is infeasible both because of the large compute costs and duration associated with pre-training, and the impending scarcity of high-quality data on the web. In this work, we propose Web Rephrase Augmented Pre-training (WRAP) that uses an off-the-shelf instruction-tuned model prompted to paraphrase documents on the web in specific styles such as "like Wikipedia" or in "question-answer format" to jointly pre-train LLMs on real and synthetic rephrases. First, we show that using WRAP on the C4 dataset, which is naturally noisy, speeds up pre-training by sim3x. At the same pre-training compute budget, it improves perplexity by more than 10% on average across different subsets of the Pile, and improves zero-shot question answer accuracy across 13 tasks by more than 2%. Second, we investigate the impact of the re-phrasing style on the performance of the model, offering insights into how the composition of the training data can impact the performance of LLMs in OOD settings. Our gains are attributed to the fact that re-phrased synthetic data has higher utility than just real data because it (i) incorporates style diversity that closely reflects downstream evaluation style, and (ii) has higher 'quality' than web-scraped data.

  • 6 authors
·
Jan 29, 2024 7

Enhancing Sample Utilization through Sample Adaptive Augmentation in Semi-Supervised Learning

In semi-supervised learning, unlabeled samples can be utilized through augmentation and consistency regularization. However, we observed certain samples, even undergoing strong augmentation, are still correctly classified with high confidence, resulting in a loss close to zero. It indicates that these samples have been already learned well and do not provide any additional optimization benefits to the model. We refer to these samples as ``naive samples". Unfortunately, existing SSL models overlook the characteristics of naive samples, and they just apply the same learning strategy to all samples. To further optimize the SSL model, we emphasize the importance of giving attention to naive samples and augmenting them in a more diverse manner. Sample adaptive augmentation (SAA) is proposed for this stated purpose and consists of two modules: 1) sample selection module; 2) sample augmentation module. Specifically, the sample selection module picks out {naive samples} based on historical training information at each epoch, then the naive samples will be augmented in a more diverse manner in the sample augmentation module. Thanks to the extreme ease of implementation of the above modules, SAA is advantageous for being simple and lightweight. We add SAA on top of FixMatch and FlexMatch respectively, and experiments demonstrate SAA can significantly improve the models. For example, SAA helped improve the accuracy of FixMatch from 92.50% to 94.76% and that of FlexMatch from 95.01% to 95.31% on CIFAR-10 with 40 labels.

  • 6 authors
·
Sep 7, 2023

Biomed-Enriched: A Biomedical Dataset Enriched with LLMs for Pretraining and Extracting Rare and Hidden Content

We introduce Biomed-Enriched, a biomedical text dataset constructed from PubMed via a two-stage annotation process. In the first stage, a large language model annotates 400K paragraphs from PubMed scientific articles, assigning scores for their type (review, study, clinical case, other), domain (clinical, biomedical, other), and educational quality. The educational quality score (rated 1 to 5) estimates how useful a paragraph is for college-level learning. These annotations are then used to fine-tune a small language model, which propagates the labels across the full PMC-OA corpus. The resulting metadata allows us to extract refined subsets, including 2M clinical case paragraphs with over 450K high-quality ones from articles with commercial-use licenses, and to construct several variants via quality filtering and domain upsampling. Clinical text is typically difficult to access due to privacy constraints, as hospital records cannot be publicly shared. Hence, our dataset provides an alternative large-scale, openly available collection of clinical cases from PubMed, making it a valuable resource for biomedical and clinical NLP. Preliminary continual-pretraining experiments with OLMo2 suggest these curated subsets enable targeted improvements, with clinical upsampling boosting performance by ~5% on MMLU ProfMed and educational quality filtering improving MedQA and MedMCQA by ~1%. Combinations of these techniques led to faster convergence, reaching same performance with a third of training tokens, indicating potential for more efficient and effective biomedical pretraining strategies.

  • 3 authors
·
Jun 25 1

MCTED: A Machine-Learning-Ready Dataset for Digital Elevation Model Generation From Mars Imagery

This work presents a new dataset for the Martian digital elevation model prediction task, ready for machine learning applications called MCTED. The dataset has been generated using a comprehensive pipeline designed to process high-resolution Mars orthoimage and DEM pairs from Day et al., yielding a dataset consisting of 80,898 data samples. The source images are data gathered by the Mars Reconnaissance Orbiter using the CTX instrument, providing a very diverse and comprehensive coverage of the Martian surface. Given the complexity of the processing pipelines used in large-scale DEMs, there are often artefacts and missing data points in the original data, for which we developed tools to solve or mitigate their impact. We divide the processed samples into training and validation splits, ensuring samples in both splits cover no mutual areas to avoid data leakage. Every sample in the dataset is represented by the optical image patch, DEM patch, and two mask patches, indicating values that were originally missing or were altered by us. This allows future users of the dataset to handle altered elevation regions as they please. We provide statistical insights of the generated dataset, including the spatial distribution of samples, the distributions of elevation values, slopes and more. Finally, we train a small U-Net architecture on the MCTED dataset and compare its performance to a monocular depth estimation foundation model, DepthAnythingV2, on the task of elevation prediction. We find that even a very small architecture trained on this dataset specifically, beats a zero-shot performance of a depth estimation foundation model like DepthAnythingV2. We make the dataset and code used for its generation completely open source in public repositories.

ESA-Datalabs ESA Datalabs
·
Sep 9

From Fake to Real: Pretraining on Balanced Synthetic Images to Prevent Spurious Correlations in Image Recognition

Visual recognition models are prone to learning spurious correlations induced by a biased training set where certain conditions B (\eg, Indoors) are over-represented in certain classes Y (\eg, Big Dogs). Synthetic data from off-the-shelf large-scale generative models offers a promising direction to mitigate this issue by augmenting underrepresented subgroups in the real dataset. However, by using a mixed distribution of real and synthetic data, we introduce another source of bias due to distributional differences between synthetic and real data (\eg synthetic artifacts). As we will show, prior work's approach for using synthetic data to resolve the model's bias toward B do not correct the model's bias toward the pair (B, G), where G denotes whether the sample is real or synthetic. Thus, the model could simply learn signals based on the pair (B, G) (\eg, Synthetic Indoors) to make predictions about Y (\eg, Big Dogs). To address this issue, we propose a simple, easy-to-implement, two-step training pipeline that we call From Fake to Real (FFR). The first step of FFR pre-trains a model on balanced synthetic data to learn robust representations across subgroups. In the second step, FFR fine-tunes the model on real data using ERM or common loss-based bias mitigation methods. By training on real and synthetic data separately, FFR does not expose the model to the statistical differences between real and synthetic data and thus avoids the issue of bias toward the pair (B, G). Our experiments show that FFR improves worst group accuracy over the state-of-the-art by up to 20\% over three datasets. Code available: https://github.com/mqraitem/From-Fake-to-Real

  • 3 authors
·
Aug 8, 2023

Mine Your Own vieW: Self-Supervised Learning Through Across-Sample Prediction

State-of-the-art methods for self-supervised learning (SSL) build representations by maximizing the similarity between different transformed "views" of a sample. Without sufficient diversity in the transformations used to create views, however, it can be difficult to overcome nuisance variables in the data and build rich representations. This motivates the use of the dataset itself to find similar, yet distinct, samples to serve as views for one another. In this paper, we introduce Mine Your Own vieW (MYOW), a new approach for self-supervised learning that looks within the dataset to define diverse targets for prediction. The idea behind our approach is to actively mine views, finding samples that are neighbors in the representation space of the network, and then predict, from one sample's latent representation, the representation of a nearby sample. After showing the promise of MYOW on benchmarks used in computer vision, we highlight the power of this idea in a novel application in neuroscience where SSL has yet to be applied. When tested on multi-unit neural recordings, we find that MYOW outperforms other self-supervised approaches in all examples (in some cases by more than 10%), and often surpasses the supervised baseline. With MYOW, we show that it is possible to harness the diversity of the data to build rich views and leverage self-supervision in new domains where augmentations are limited or unknown.

  • 13 authors
·
Feb 19, 2021

Feynman-Kac Correctors in Diffusion: Annealing, Guidance, and Product of Experts

While score-based generative models are the model of choice across diverse domains, there are limited tools available for controlling inference-time behavior in a principled manner, e.g. for composing multiple pretrained models. Existing classifier-free guidance methods use a simple heuristic to mix conditional and unconditional scores to approximately sample from conditional distributions. However, such methods do not approximate the intermediate distributions, necessitating additional 'corrector' steps. In this work, we provide an efficient and principled method for sampling from a sequence of annealed, geometric-averaged, or product distributions derived from pretrained score-based models. We derive a weighted simulation scheme which we call Feynman-Kac Correctors (FKCs) based on the celebrated Feynman-Kac formula by carefully accounting for terms in the appropriate partial differential equations (PDEs). To simulate these PDEs, we propose Sequential Monte Carlo (SMC) resampling algorithms that leverage inference-time scaling to improve sampling quality. We empirically demonstrate the utility of our methods by proposing amortized sampling via inference-time temperature annealing, improving multi-objective molecule generation using pretrained models, and improving classifier-free guidance for text-to-image generation. Our code is available at https://github.com/martaskrt/fkc-diffusion.

  • 9 authors
·
Mar 4 2

Relation Extraction in underexplored biomedical domains: A diversity-optimised sampling and synthetic data generation approach

The sparsity of labelled data is an obstacle to the development of Relation Extraction models and the completion of databases in various biomedical areas. While being of high interest in drug-discovery, the natural-products literature, reporting the identification of potential bioactive compounds from organisms, is a concrete example of such an overlooked topic. To mark the start of this new task, we created the first curated evaluation dataset and extracted literature items from the LOTUS database to build training sets. To this end, we developed a new sampler inspired by diversity metrics in ecology, named Greedy Maximum Entropy sampler, or GME-sampler (https://github.com/idiap/gme-sampler). The strategic optimization of both balance and diversity of the selected items in the evaluation set is important given the resource-intensive nature of manual curation. After quantifying the noise in the training set, in the form of discrepancies between the input abstracts text and the expected output labels, we explored different strategies accordingly. Framing the task as an end-to-end Relation Extraction, we evaluated the performance of standard fine-tuning as a generative task and few-shot learning with open Large Language Models (LLaMA 7B-65B). In addition to their evaluation in few-shot settings, we explore the potential of open Large Language Models (Vicuna-13B) as synthetic data generator and propose a new workflow for this purpose. All evaluated models exhibited substantial improvements when fine-tuned on synthetic abstracts rather than the original noisy data. We provide our best performing (f1-score=59.0) BioGPT-Large model for end-to-end RE of natural-products relationships along with all the generated synthetic data and the evaluation dataset. See more details at https://github.com/idiap/abroad-re.

  • 3 authors
·
Nov 10, 2023

Conditional Data Synthesis Augmentation

Reliable machine learning and statistical analysis rely on diverse, well-distributed training data. However, real-world datasets are often limited in size and exhibit underrepresentation across key subpopulations, leading to biased predictions and reduced performance, particularly in supervised tasks such as classification. To address these challenges, we propose Conditional Data Synthesis Augmentation (CoDSA), a novel framework that leverages generative models, such as diffusion models, to synthesize high-fidelity data for improving model performance across multimodal domains including tabular, textual, and image data. CoDSA generates synthetic samples that faithfully capture the conditional distributions of the original data, with a focus on under-sampled or high-interest regions. Through transfer learning, CoDSA fine-tunes pre-trained generative models to enhance the realism of synthetic data and increase sample density in sparse areas. This process preserves inter-modal relationships, mitigates data imbalance, improves domain adaptation, and boosts generalization. We also introduce a theoretical framework that quantifies the statistical accuracy improvements enabled by CoDSA as a function of synthetic sample volume and targeted region allocation, providing formal guarantees of its effectiveness. Extensive experiments demonstrate that CoDSA consistently outperforms non-adaptive augmentation strategies and state-of-the-art baselines in both supervised and unsupervised settings.

  • 2 authors
·
Apr 9

CSTS: A Benchmark for the Discovery of Correlation Structures in Time Series Clustering

Time series clustering promises to uncover hidden structural patterns in data with applications across healthcare, finance, industrial systems, and other critical domains. However, without validated ground truth information, researchers cannot objectively assess clustering quality or determine whether poor results stem from absent structures in the data, algorithmic limitations, or inappropriate validation methods, raising the question whether clustering is "more art than science" (Guyon et al., 2009). To address these challenges, we introduce CSTS (Correlation Structures in Time Series), a synthetic benchmark for evaluating the discovery of correlation structures in multivariate time series data. CSTS provides a clean benchmark that enables researchers to isolate and identify specific causes of clustering failures by differentiating between correlation structure deterioration and limitations of clustering algorithms and validation methods. Our contributions are: (1) a comprehensive benchmark for correlation structure discovery with distinct correlation structures, systematically varied data conditions, established performance thresholds, and recommended evaluation protocols; (2) empirical validation of correlation structure preservation showing moderate distortion from downsampling and minimal effects from distribution shifts and sparsification; and (3) an extensible data generation framework enabling structure-first clustering evaluation. A case study demonstrates CSTS's practical utility by identifying an algorithm's previously undocumented sensitivity to non-normal distributions, illustrating how the benchmark enables precise diagnosis of methodological limitations. CSTS advances rigorous evaluation standards for correlation-based time series clustering.

  • 4 authors
·
May 20