Transformers Pretrained on Procedural Data Contain Modular Structures for Algorithmic Reasoning

Pretraining on large, semantically rich datasets is key for developing language models. Surprisingly, recent studies have shown that even synthetic data, generated procedurally through simple semantic-free algorithms, can yield some of the same benefits as natural language pretraining. It is unclear what specific capabilities such simple synthetic data instils in a model, where these capabilities reside in the architecture, and how they manifest within its weights. In this short paper, we identify several beneficial forms of procedural data, together with specific algorithmic reasoning skills that improve in small transformers. Our core finding is that different procedural rules instil distinct but complementary inductive structures in the model. With extensive ablations and partial-transfer experiments, we discover that these structures reside in different parts of the model. Attention layers often carry the most transferable information, but some pretraining rules impart useful structure to MLP blocks instead. Most interestingly, the structures induced by multiple rules can be composed to jointly reinforce multiple capabilities. These results suggest an exciting possibility of disentangling the acquisition of knowledge from reasoning in language models, with the goal of improving their robustness and data efficiency.

Leaner Transformers: More Heads, Less Depth

Transformers have reshaped machine learning by utilizing attention mechanisms to capture complex patterns in large datasets, leading to significant improvements in performance. This success has contributed to the belief that "bigger means better", leading to ever-increasing model sizes. This paper challenge this ideology by showing that many existing transformers might be unnecessarily oversized. We discover a theoretical principle that redefines the role of multi-head attention. An important benefit of the multiple heads is in improving the conditioning of the attention block. We exploit this theoretical insight and redesign popular architectures with an increased number of heads. The improvement in the conditioning proves so significant in practice that model depth can be decreased, reducing the parameter count by up to 30-50% while maintaining accuracy. We obtain consistent benefits across a variety of transformer-based architectures of various scales, on tasks in computer vision (ImageNet-1k) as well as language and sequence modeling (GLUE benchmark, TinyStories, and the Long-Range Arena benchmark).

AugGen: Synthetic Augmentation Can Improve Discriminative Models

The increasing dependence on large-scale datasets in machine learning introduces significant privacy and ethical challenges. Synthetic data generation offers a promising solution; however, most current methods rely on external datasets or pre-trained models, which add complexity and escalate resource demands. In this work, we introduce a novel self-contained synthetic augmentation technique that strategically samples from a conditional generative model trained exclusively on the target dataset. This approach eliminates the need for auxiliary data sources. Applied to face recognition datasets, our method achieves 1--12\% performance improvements on the IJB-C and IJB-B benchmarks. It outperforms models trained solely on real data and exceeds the performance of state-of-the-art synthetic data generation baselines. Notably, these enhancements often surpass those achieved through architectural improvements, underscoring the significant impact of synthetic augmentation in data-scarce environments. These findings demonstrate that carefully integrated synthetic data not only addresses privacy and resource constraints but also substantially boosts model performance. Project page https://parsa-ra.github.io/auggen

Do We Always Need the Simplicity Bias? Looking for Optimal Inductive Biases in the Wild

Neural architectures tend to fit their data with relatively simple functions. This "simplicity bias" is widely regarded as key to their success. This paper explores the limits of this principle. Building on recent findings that the simplicity bias stems from ReLU activations [96], we introduce a method to meta-learn new activation functions and inductive biases better suited to specific tasks. Findings: We identify multiple tasks where the simplicity bias is inadequate and ReLUs suboptimal. In these cases, we learn new activation functions that perform better by inducing a prior of higher complexity. Interestingly, these cases correspond to domains where neural networks have historically struggled: tabular data, regression tasks, cases of shortcut learning, and algorithmic grokking tasks. In comparison, the simplicity bias induced by ReLUs proves adequate on image tasks where the best learned activations are nearly identical to ReLUs and GeLUs. Implications: Contrary to popular belief, the simplicity bias of ReLU networks is not universally useful. It is near-optimal for image classification, but other inductive biases are sometimes preferable. We showed that activation functions can control these inductive biases, but future tailored architectures might provide further benefits. Advances are still needed to characterize a model's inductive biases beyond "complexity", and their adequacy with the data.

OOD-Chameleon: Is Algorithm Selection for OOD Generalization Learnable?

Out-of-distribution (OOD) generalization is challenging because distribution shifts come in many forms. A multitude of learning algorithms exist and each can improve performance in specific OOD situations. We posit that much of the challenge of OOD generalization lies in choosing the right algorithm for the right dataset. However, such algorithm selection is often elusive under complex real-world shifts. In this work, we formalize the task of algorithm selection for OOD generalization and investigate whether it could be approached by learning. We propose a solution, dubbed OOD-Chameleon that treats the task as a supervised classification over candidate algorithms. We construct a dataset of datasets to learn from, which represents diverse types, magnitudes and combinations of shifts (covariate shift, label shift, spurious correlations). We train the model to predict the relative performance of algorithms given a dataset's characteristics. This enables a priori selection of the best learning strategy, i.e. without training various models as needed with traditional model selection. Our experiments show that the adaptive selection outperforms any individual algorithm and simple selection heuristics, on unseen datasets of controllable and realistic image data. Inspecting the model shows that it learns non-trivial data/algorithms interactions, and reveals the conditions for any one algorithm to surpass another. This opens new avenues for (1) enhancing OOD generalization with existing algorithms instead of designing new ones, and (2) gaining insights into the applicability of existing algorithms with respect to datasets' properties.

Scalable Ensemble Diversification for OOD Generalization and Detection

Training a diverse ensemble of models has several practical applications such as providing candidates for model selection with better out-of-distribution (OOD) generalization, and enabling the detection of OOD samples via Bayesian principles. An existing approach to diverse ensemble training encourages the models to disagree on provided OOD samples. However, the approach is computationally expensive and it requires well-separated ID and OOD examples, such that it has only been demonstrated in small-scale settings. $\textbf{Method.}$ This work presents a method for Scalable Ensemble Diversification (SED) applicable to large-scale settings (e.g. ImageNet) that does not require OOD samples. Instead, SED identifies hard training samples on the fly and encourages the ensemble members to disagree on these. To improve scaling, we show how to avoid the expensive computations in existing methods of exhaustive pairwise disagreements across models. $\textbf{Results.}$ We evaluate the benefits of diversification with experiments on ImageNet. First, for OOD generalization, we observe large benefits from the diversification in multiple settings including output-space (classical) ensembles and weight-space ensembles (model soups). Second, for OOD detection, we turn the diversity of ensemble hypotheses into a novel uncertainty score estimator that surpasses a large number of OOD detection baselines. Code is available here: https://github.com/AlexanderRubinstein/diverse-universe-public.

Synergy and Diversity in CLIP: Enhancing Performance Through Adaptive Backbone Ensembling

Contrastive Language-Image Pretraining (CLIP) stands out as a prominent method for image representation learning. Various architectures, from vision transformers (ViTs) to convolutional networks (ResNets) have been trained with CLIP to serve as general solutions to diverse vision tasks. This paper explores the differences across various CLIP-trained vision backbones. Despite using the same data and training objective, we find that these architectures have notably different representations, different classification performance across datasets, and different robustness properties to certain types of image perturbations. Our findings indicate a remarkable possible synergy across backbones by leveraging their respective strengths. In principle, classification accuracy could be improved by over 40 percentage with an informed selection of the optimal backbone per test example.Using this insight, we develop a straightforward yet powerful approach to adaptively ensemble multiple backbones. The approach uses as few as one labeled example per class to tune the adaptive combination of backbones. On a large collection of datasets, the method achieves a remarkable increase in accuracy of up to 39.1% over the best single backbone, well beyond traditional ensembles

CulturePark: Boosting Cross-cultural Understanding in Large Language Models

Cultural bias is pervasive in many large language models (LLMs), largely due to the deficiency of data representative of different cultures. Typically, cultural datasets and benchmarks are constructed either by extracting subsets of existing datasets or by aggregating from platforms such as Wikipedia and social media. However, these approaches are highly dependent on real-world data and human annotations, making them costly and difficult to scale. Inspired by cognitive theories on social communication, this paper introduces CulturePark, an LLM-powered multi-agent communication framework for cultural data collection. CulturePark simulates cross-cultural human communication with LLM-based agents playing roles in different cultures. It generates high-quality cross-cultural dialogues encapsulating human beliefs, norms, and customs. Using CulturePark, we generated 41,000 cultural samples to fine-tune eight culture-specific LLMs. We evaluated these models across three downstream tasks: content moderation, cultural alignment, and cultural education. Results show that for content moderation, our GPT-3.5-based models either match or outperform GPT-4 on datasets. Regarding cultural alignment, our models surpass GPT-4 on Hofstede's VSM 13 framework. Furthermore, for cultural education of human participants, our models demonstrate superior outcomes in both learning efficacy and user experience compared to GPT-4. CulturePark proves an important step in addressing cultural bias and advancing the democratization of AI, highlighting the critical role of culturally inclusive data in model training.

Neural Redshift: Random Networks are not Random Functions

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from gradient-free methods nor the simplicity bias recently observed in untrained networks. This paper seeks other sources of generalization in NNs. Findings. To understand the inductive biases provided by architectures independently from GD, we examine untrained, random-weight networks. Even simple MLPs show strong inductive biases: uniform sampling in weight space yields a very biased distribution of functions in terms of complexity. But unlike common wisdom, NNs do not have an inherent "simplicity bias". This property depends on components such as ReLUs, residual connections, and layer normalizations. Alternative architectures can be built with a bias for any level of complexity. Transformers also inherit all these properties from their building blocks. Implications. We provide a fresh explanation for the success of deep learning independent from gradient-based training. It points at promising avenues for controlling the solutions implemented by trained models.

Zero-shot Retrieval: Augmenting Pre-trained Models with Search Engines

Large pre-trained models can dramatically reduce the amount of task-specific data required to solve a problem, but they often fail to capture domain-specific nuances out of the box. The Web likely contains the information necessary to excel on any specific application, but identifying the right data a priori is challenging. This paper shows how to leverage recent advances in NLP and multi-modal learning to augment a pre-trained model with search engine retrieval. We propose to retrieve useful data from the Web at test time based on test cases that the model is uncertain about. Different from existing retrieval-augmented approaches, we then update the model to address this underlying uncertainty. We demonstrate substantial improvements in zero-shot performance, e.g. a remarkable increase of 15 percentage points in accuracy on the Stanford Cars and Flowers datasets. We also present extensive experiments that explore the impact of noisy retrieval and different learning strategies.