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Program synthesis methods aim to automatically generate programs restricted to a language that can explain a given specification of input-output pairs. While purely symbolic approaches suffer from a combinatorial search space, recent methods leverage neural networks to learn distributions over program structures to narrow this search space significantly, enabling more efficient search. However, for challenging problems, it remains difficult to train models to perform program synthesis in one shot, making test-time search essential. Most neural methods lack structured search mechanisms during inference, relying instead on stochastic sampling or gradient updates, which can be inefficient. In this work, we propose the Latent Program Network (LPN), a general algorithm for program induction that learns a distribution over latent programs in a continuous space, enabling efficient search and test-time adaptation. We explore how to train these networks to optimize for test-time computation and demonstrate the use of gradient-based search both during training and at test time. We evaluate LPN on ARC-AGI, a program synthesis benchmark that evaluates performance by generalizing programs to new inputs rather than explaining the underlying specification. We show that LPN can generalize beyond its training distribution and adapt to unseen tasks by utilizing test-time computation, outperforming algorithms without test-time adaptation mechanisms.

Despite the recent observation that large language models (LLMs) can store substantial factual knowledge, there is a limited understanding of the mechanisms of how they acquire factual knowledge through pretraining. This work addresses this gap by studying how LLMs acquire factual knowledge during pretraining. The findings reveal several important insights into the dynamics of factual knowledge acquisition during pretraining. First, counterintuitively, we observe that pretraining on more data shows no significant improvement in the model's capability to acquire and maintain factual knowledge. Next, there is a power-law relationship between training steps and forgetting of memorization and generalization of factual knowledge, and LLMs trained with duplicated training data exhibit faster forgetting. Third, training LLMs with larger batch sizes can enhance the models' robustness to forgetting. Overall, our observations suggest that factual knowledge acquisition in LLM pretraining occurs by progressively increasing the probability of factual knowledge presented in the pretraining data at each step. However, this increase is diluted by subsequent forgetting. Based on this interpretation, we demonstrate that we can provide plausible explanations for recently observed behaviors of LLMs, such as the poor performance of LLMs on long-tail knowledge and the benefits of deduplicating the pretraining corpus.

Despite the remarkable capabilities of modern large language models (LLMs), the mechanisms behind their problem-solving abilities remain elusive. In this work, we aim to better understand how the learning dynamics of LLM finetuning shapes downstream generalization. Our analysis focuses on reasoning tasks, whose problem structure allows us to distinguish between memorization (the exact replication of reasoning steps from the training data) and performance (the correctness of the final solution). We find that a model's generalization behavior can be effectively characterized by a training metric we call pre-memorization train accuracy: the accuracy of model samples on training queries before they begin to copy the exact reasoning steps from the training set. On the dataset level, this metric is able to reliably predict test accuracy, achieving $R^2$ of around or exceeding 0.9 across various models (Llama3 8, Gemma2 9B), datasets (GSM8k, MATH), and training configurations. On a per-example level, this metric is also indicative of whether individual model predictions are robust to perturbations in the training query. By connecting a model's learning behavior to its generalization, pre-memorization train accuracy can guide targeted improvements to training strategies. We focus on data curation as an example, and show that prioritizing examples with low pre-memorization accuracy leads to 1.5-2x improvements in data efficiency compared to i.i.d. data scaling, and outperforms other standard data curation techniques.

Graph Neural Networks (GNNs) have demonstrated strong capabilities in processing structured data. While traditional GNNs typically treat each feature dimension equally during graph convolution, we raise an important question: Is the graph convolution operation equally beneficial for each feature? If not, the convolution operation on certain feature dimensions can possibly lead to harmful effects, even worse than the convolution-free models. In prior studies, to assess the impacts of graph convolution on features, people proposed metrics based on feature homophily to measure feature consistency with the graph topology. However, these metrics have shown unsatisfactory alignment with GNN performance and have not been effectively employed to guide feature selection in GNNs. To address these limitations, we introduce a novel metric, Topological Feature Informativeness (TFI), to distinguish between GNN-favored and GNN-disfavored features, where its effectiveness is validated through both theoretical analysis and empirical observations. Based on TFI, we propose a simple yet effective Graph Feature Selection (GFS) method, which processes GNN-favored and GNN-disfavored features separately, using GNNs and non-GNN models. Compared to original GNNs, GFS significantly improves the extraction of useful topological information from each feature with comparable computational costs. Extensive experiments show that after applying GFS to 8 baseline and state-of-the-art (SOTA) GNN architectures across 10 datasets, 83.75% of the GFS-augmented cases show significant performance boosts. Furthermore, our proposed TFI metric outperforms other feature selection methods. These results validate the effectiveness of both GFS and TFI. Additionally, we demonstrate that GFS's improvements are robust to hyperparameter tuning, highlighting its potential as a universal method for enhancing various GNN architectures.

The emergence of large language models (LLMs) has opened up exciting possibilities for simulating human behavior and cognitive processes, with potential applications in various domains, including marketing research and consumer behavior analysis. However, the validity of utilizing LLMs as stand-ins for human subjects remains uncertain due to glaring divergences that suggest fundamentally different underlying processes at play and the sensitivity of LLM responses to prompt variations. This paper presents a novel approach based on Shapley values from cooperative game theory to interpret LLM behavior and quantify the relative contribution of each prompt component to the model's output. Through two applications - a discrete choice experiment and an investigation of cognitive biases - we demonstrate how the Shapley value method can uncover what we term "token noise" effects, a phenomenon where LLM decisions are disproportionately influenced by tokens providing minimal informative content. This phenomenon raises concerns about the robustness and generalizability of insights obtained from LLMs in the context of human behavior simulation. Our model-agnostic approach extends its utility to proprietary LLMs, providing a valuable tool for practitioners and researchers to strategically optimize prompts and mitigate apparent cognitive biases. Our findings underscore the need for a more nuanced understanding of the factors driving LLM responses before relying on them as substitutes for human subjects in survey settings. We emphasize the importance of researchers reporting results conditioned on specific prompt templates and exercising caution when drawing parallels between human behavior and LLMs.

As large language models (LLMs) have grown in prevalence, particular benchmarks have become essential for the evaluation of these models and for understanding model capabilities. Most commonly, we use test accuracy averaged across multiple subtasks in order to rank models on leaderboards, to determine which model is best for our purposes. In this paper, we investigate the robustness of the accuracy measurement on a widely used multiple choice question answering dataset, MMLU. When shuffling the answer label contents, we find that all explored models decrease in accuracy on MMLU, but not every model is equally sensitive. These findings suggest a possible adjustment to the standard practice of leaderboard testing, where we additionally consider the percentage of examples each model answers correctly by random chance.

As transformer-based language models are trained on increasingly large datasets and with vast numbers of parameters, finding more efficient alternatives to the standard Transformer has become very valuable. While many efficient Transformers and Transformer alternatives have been proposed, none provide theoretical guarantees that they are a suitable replacement for the standard Transformer. This makes it challenging to identify when to use a specific model and what directions to prioritize for further investigation. In this paper, we aim to understand the capabilities and limitations of efficient Transformers, specifically the Sparse Transformer and the Linear Transformer. We focus on their reasoning capability as exhibited by Chain-of-Thought (CoT) prompts and follow previous works to model them as Dynamic Programming (DP) problems. Our results show that while these models are expressive enough to solve general DP tasks, contrary to expectations, they require a model size that scales with the problem size. Nonetheless, we identify a class of DP problems for which these models can be more efficient than the standard Transformer. We confirm our theoretical results through experiments on representative DP tasks, adding to the understanding of efficient Transformers' practical strengths and weaknesses.

Feature attribution methods are popular in interpretable machine learning. These methods compute the attribution of each input feature to represent its importance, but there is no consensus on the definition of "attribution", leading to many competing methods with little systematic evaluation, complicated in particular by the lack of ground truth attribution. To address this, we propose a dataset modification procedure to induce such ground truth. Using this procedure, we evaluate three common methods: saliency maps, rationales, and attentions. We identify several deficiencies and add new perspectives to the growing body of evidence questioning the correctness and reliability of these methods applied on datasets in the wild. We further discuss possible avenues for remedy and recommend new attribution methods to be tested against ground truth before deployment. The code is available at \url{//github.com/YilunZhou/feature-attribution-evaluation}.

Non-convex optimization is ubiquitous in modern machine learning. Researchers devise non-convex objective functions and optimize them using off-the-shelf optimizers such as stochastic gradient descent and its variants, which leverage the local geometry and update iteratively. Even though solving non-convex functions is NP-hard in the worst case, the optimization quality in practice is often not an issue -- optimizers are largely believed to find approximate global minima. Researchers hypothesize a unified explanation for this intriguing phenomenon: most of the local minima of the practically-used objectives are approximately global minima. We rigorously formalize it for concrete instances of machine learning problems.

The dominant sequence transduction models are based on complex recurrent or convolutional neural networks in an encoder-decoder configuration. The best performing models also connect the encoder and decoder through an attention mechanism. We propose a new simple network architecture, the Transformer, based solely on attention mechanisms, dispensing with recurrence and convolutions entirely. Experiments on two machine translation tasks show these models to be superior in quality while being more parallelizable and requiring significantly less time to train. Our model achieves 28.4 BLEU on the WMT 2014 English-to-German translation task, improving over the existing best results, including ensembles by over 2 BLEU. On the WMT 2014 English-to-French translation task, our model establishes a new single-model state-of-the-art BLEU score of 41.8 after training for 3.5 days on eight GPUs, a small fraction of the training costs of the best models from the literature. We show that the Transformer generalizes well to other tasks by applying it successfully to English constituency parsing both with large and limited training data.