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Publications
EiG-Search: Generating Edge-Induced Subgraphs for GNN Explanation in Linear Time
The multivariate hypergeometric distribution describes sampling without replacement from a discrete population of elements divided into mult… (see more)iple categories. Addressing a gap in the literature, we tackle the challenge of estimating discrete distributions when both the total population size and the category sizes are unknown. Here, we propose a novel solution using the hypergeometric likelihood to solve this estimation problem, even in the presence of severe under-sampling. Our approach accounts for a data generating process where the ground-truth is a mixture of distributions conditional on a continuous latent variable, as seen in collaborative filtering, using the variational autoencoder framework. Empirical data simulation demonstrates that our method outperforms other likelihood functions used to model count data, both in terms of accuracy of population size estimate and learning an informative latent space. We showcase our method’s versatility through applications in NLP, by inferring and estimating the complexity of latent vocabularies in reading passage excerpts, and in biology, by accurately recovering the true number of gene transcripts from sparse single-cell genomics data.
2024-07-08
Proceedings of the 41st International Conference on Machine Learning (published)
Fine-tuning is a widespread technique that allows practitioners to transfer pre-trained capabilities, as recently showcased by the successfu… (see more)l applications of foundation models. However, fine-tuning reinforcement learning (RL) models remains a challenge. This work conceptualizes one specific cause of poor transfer, accentuated in the RL setting by the interplay between actions and observations: forgetting of pre-trained capabilities. Namely, a model deteriorates on the state subspace of the downstream task not visited in the initial phase of fine-tuning, on which the model behaved well due to pre-training. This way, we lose the anticipated transfer benefits. We identify conditions when this problem occurs, showing that it is common and, in many cases, catastrophic. Through a detailed empirical analysis of the challenging NetHack and Montezuma’s Revenge environments, we show that standard knowledge retention techniques mitigate the problem and thus allow us to take full advantage of the pre-trained capabilities. In particular, in NetHack, we achieve a new state-of-the-art for neural models, improving the previous best score from
2024-07-08
Proceedings of the 41st International Conference on Machine Learning (published)
Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, as in general graphs lack a canonical node … (see more)ordering. This renders PSEs essential tools for empowering modern GNNs, and in particular graph Transformers. However, designing PSEs that work optimally for a variety of graph prediction tasks is a challenging and unsolved problem. Here, we present the graph positional and structural encoder (GPSE), a first-ever attempt to train a graph encoder that captures rich PSE representations for augmenting any GNN. GPSE can effectively learn a common latent representation for multiple PSEs, and is highly transferable. The encoder trained on a particular graph dataset can be used effectively on datasets drawn from significantly different distributions and even modalities. We show that across a wide range of benchmarks, GPSE-enhanced models can significantly improve the performance in certain tasks, while performing on par with those that employ explicitly computed PSEs in other cases. Our results pave the way for the development of large pre-trained models for extracting graph positional and structural information and highlight their potential as a viable alternative to explicitly computed PSEs as well as to existing self-supervised pre-training approaches.
2024-07-08
Proceedings of the 41st International Conference on Machine Learning (published)
We demonstrate that large language models (LLMs) may learn indicators of document usefulness and modulate their updates accordingly. We intr… (see more)oduce random strings ("tags") as indicators of usefulness in a synthetic fine-tuning dataset. Fine-tuning on this dataset leads to **implicit meta-learning (IML)**: in further fine-tuning, the model updates to make more use of text that is tagged as useful. We perform a thorough empirical investigation of this phenomenon, finding (among other things) that (i) it occurs in both pretrained LLMs and those trained from scratch, as well as on a vision task, and (ii) larger models and smaller batch sizes tend to give more IML. We also use probing to examine how IML changes the way models store knowledge in their parameters. Finally, we reflect on what our results might imply about the capabilities, risks, and controllability of future AI systems.
2024-07-08
Proceedings of the 41st International Conference on Machine Learning (published)
We introduce SPARse Fine-grained Contrastive Alignment (SPARC), a simple method for pretraining more fine-grained multimodal representations… (see more) from image-text pairs. Given that multiple image patches often correspond to single words, we propose to learn a grouping of image patches for every token in the caption. To achieve this, we use a sparse similarity metric between image patches and language tokens and compute for each token a language-grouped vision embedding as the weighted average of patches. The token and language-grouped vision embeddings are then contrasted through a fine-grained sequence-wise loss that only depends on individual samples and does not require other batch samples as negatives. This enables more detailed information to be learned in a computationally inexpensive manner. SPARC combines this fine-grained loss with a contrastive loss between global image and text embeddings to learn representations that simultaneously encode global and local information. We thoroughly evaluate our proposed method and show improved performance over competing approaches both on image-level tasks relying on coarse-grained information, e.g. classification, as well as region-level tasks relying on fine-grained information, e.g. retrieval, object detection, and segmentation. Moreover, SPARC improves model faithfulness and captioning in foundational vision-language models.
2024-07-08
Proceedings of the 41st International Conference on Machine Learning (published)
We present a performant, general-purpose gradient-guided nested sampling (GGNS) algorithm, combining the state of the art in differentiable … (see more)programming, Hamiltonian slice sampling, clustering, mode separation, dynamic nested sampling, and parallelization. This unique combination allows GGNS to scale well with dimensionality and perform competitively on a variety of synthetic and real-world problems. We also show the potential of combining nested sampling with generative flow networks to obtain large amounts of high-quality samples from the posterior distribution. This combination leads to faster mode discovery and more accurate estimates of the partition function.
2024-07-08
Proceedings of the 41st International Conference on Machine Learning (published)
Data analytics is essential for extracting valuable insights from data that can assist organizations in making effective decisions. We intro… (see more)duce InsightBench, a benchmark dataset with three key features. First, it consists of 100 datasets representing diverse business use cases such as finance and incident management, each accompanied by a carefully curated set of insights planted in the datasets. Second, unlike existing benchmarks focusing on answering single queries, InsightBench evaluates agents based on their ability to perform end-to-end data analytics, including formulating questions, interpreting answers, and generating a summary of insights and actionable steps. Third, we conducted comprehensive quality assurance to ensure that each dataset in the benchmark had clear goals and included relevant and meaningful questions and analysis. Furthermore, we implement a two-way evaluation mechanism using LLaMA-3 as an effective, open-source evaluator to assess agents' ability to extract insights. We also propose AgentPoirot, our baseline data analysis agent capable of performing end-to-end data analytics. Our evaluation on InsightBench shows that AgentPoirot outperforms existing approaches (such as Pandas Agent) that focus on resolving single queries. We also compare the performance of open- and closed-source LLMs and various evaluation strategies. Overall, this benchmark serves as a testbed to motivate further development in comprehensive automated data analytics.
Data analytics is essential for extracting valuable insights from data that can assist organizations in making effective decisions. We intro… (see more)duce InsightBench, a benchmark dataset with three key features. First, it consists of 100 datasets representing diverse business use cases such as finance and incident management, each accompanied by a carefully curated set of insights planted in the datasets. Second, unlike existing benchmarks focusing on answering single queries, InsightBench evaluates agents based on their ability to perform end-to-end data analytics, including formulating questions, interpreting answers, and generating a summary of insights and actionable steps. Third, we conducted comprehensive quality assurance to ensure that each dataset in the benchmark had clear goals and included relevant and meaningful questions and analysis. Furthermore, we implement a two-way evaluation mechanism using LLaMA-3 as an effective, open-source evaluator to assess agents' ability to extract insights. We also propose AgentPoirot, our baseline data analysis agent capable of performing end-to-end data analytics. Our evaluation on InsightBench shows that AgentPoirot outperforms existing approaches (such as Pandas Agent) that focus on resolving single queries. We also compare the performance of open- and closed-source LLMs and various evaluation strategies. Overall, this benchmark serves as a testbed to motivate further development in comprehensive automated data analytics.
Data analytics is essential for extracting valuable insights from data that can assist organizations in making effective decisions. We intro… (see more)duce InsightBench, a benchmark dataset with three key features. First, it consists of 100 datasets representing diverse business use cases such as finance and incident management, each accompanied by a carefully curated set of insights planted in the datasets. Second, unlike existing benchmarks focusing on answering single queries, InsightBench evaluates agents based on their ability to perform end-to-end data analytics, including formulating questions, interpreting answers, and generating a summary of insights and actionable steps. Third, we conducted comprehensive quality assurance to ensure that each dataset in the benchmark had clear goals and included relevant and meaningful questions and analysis. Furthermore, we implement a two-way evaluation mechanism using LLaMA-3 as an effective, open-source evaluator to assess agents' ability to extract insights. We also propose AgentPoirot, our baseline data analysis agent capable of performing end-to-end data analytics. Our evaluation on InsightBench shows that AgentPoirot outperforms existing approaches (such as Pandas Agent) that focus on resolving single queries. We also compare the performance of open- and closed-source LLMs and various evaluation strategies. Overall, this benchmark serves as a testbed to motivate further development in comprehensive automated data analytics.
