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 Large Language Model


What can Large Language Models do in chemistry? A comprehensive benchmark on eight tasks

Neural Information Processing Systems

Large Language Models (LLMs) with strong abilities in natural language processing tasks have emerged and have been applied in various kinds of areas such as science, finance and software engineering. However, the capability of LLMs to advance the field of chemistry remains unclear. In this paper, rather than pursuing state-of-the-art performance, we aim to evaluate capabilities of LLMs in a wide range of tasks across the chemistry domain. We identify three key chemistry-related capabilities including understanding, reasoning and explaining to explore in LLMs and establish a benchmark containing eight chemistry tasks. Our analysis draws on widely recognized datasets facilitating a broad exploration of the capacities of LLMs within the context of practical chemistry.


Grounded Decoding: Guiding Text Generation with Grounded Models for Embodied Agents

Neural Information Processing Systems

Recent progress in large language models (LLMs) has demonstrated the ability to learn and leverage Internet-scale knowledge through pre-training with autoregressive models. Unfortunately, applying such models to settings with embodied agents, such as robots, is challenging due to their lack of experience with the physical world, inability to parse non-language observations, and ignorance of rewards or safety constraints that robots may require. On the other hand, language-conditioned robotic policies that learn from interaction data can provide the necessary grounding that allows the agent to be correctly situated in the real world, but such policies are limited by the lack of high-level semantic understanding due to the limited breadth of the interaction data available for training them. Thus, if we want to make use of the semantic knowledge in a language model while still situating it in an embodied setting, we must construct an action sequence that is both likely according to the language model and also realizable according to grounded models of the environment. We frame this as a problem similar to probabilistic filtering: decode a sequence that both has high probability under the language model and high probability under a set of grounded model objectives.


To Repeat or Not To Repeat: Insights from Scaling LLM under Token-Crisis

Neural Information Processing Systems

Recent research has highlighted the importance of dataset size in scaling language models. However, large language models (LLMs) are notoriously token-hungry during pre-training, and high-quality text data on the web is likely to be approaching its scaling limit for LLMs. To further enhance LLMs, a straightforward approach is to repeat the pre-training data for additional epochs. In this study, we empirically investigate three key aspects under this approach. First, we explore the consequences of repeating pre-training data, revealing that the model is susceptible to overfitting, leading to multi-epoch degradation.


Towards Optimal Caching and Model Selection for Large Model Inference

Neural Information Processing Systems

Large Language Models (LLMs) and other large foundation models have achieved impressive results, but their size exacerbates existing resource consumption and latency challenges. In particular, the large-scale deployment of these models is hindered by the significant resource requirements during inference. In this paper, we study two approaches for mitigating these challenges: employing a cache to store previous queries and learning a model selector to choose from an ensemble of models for query processing.Theoretically, we provide an optimal algorithm for jointly optimizing both approaches to reduce the inference cost in both offline and online tabular settings. By combining a caching algorithm, namely Greedy Dual Size with Frequency (GDSF) or Least Expected Cost (LEC), with a model selector, we achieve optimal rates in both offline and online settings. Empirically, simulations show that our caching and model selection algorithm greatly improves over the baselines, with up to 50\times improvement over the baseline when the ratio between the maximum cost and minimum cost is 100 .


Text-to-Image Diffusion Models are Zero Shot Classifiers

Neural Information Processing Systems

The excellent generative capabilities of text-to-image diffusion models suggest they learn informative representations of image-text data.However, what knowledge their representations capture is not fully understood, and they have not been thoroughly explored on downstream tasks.We investigate diffusion models by proposing a method for evaluating them as zero-shot classifiers.The key idea is using a diffusion model's ability to denoise a noised image given a text description of a label as a proxy for that label's likelihood.We apply our method to Stable Diffusion and Imagen, using it to probe fine-grained aspects of the models' knowledge and comparing them with CLIP's zero-shot abilities. They perform competitively with CLIP on a wide range of zero-shot image classification datasets. Additionally, they achieve state-of-the-art results on shape/texture bias tests and can successfully perform attribute binding while CLIP cannot.Although generative pre-training is prevalent in NLP, visual foundation models often use other methods such as contrastive learning. Based on our findings, we argue that generative pre-training should be explored as a compelling alternative for vision and vision-language problems.


Cappy: Outperforming and Boosting Large Multi-Task LMs with a Small Scorer

Neural Information Processing Systems

Large language models (LLMs) such as T0, FLAN, and OPT-IML excel in multi-tasking under a unified instruction-following paradigm, where they also exhibit remarkable generalization abilities to unseen tasks. Furthermore, adapting these models to downstream applications, particularly complex tasks, is often unfeasible due to the extensive hardware requirements for finetuning, even when utilizing parameter-efficient approaches such as prompt tuning. Additionally, the most powerful multi-task LLMs, such as OPT-IML-175B and FLAN-PaLM-540B, are not publicly accessible, severely limiting their customization potential. To address these challenges, we introduce a pretrained small scorer, \textit{Cappy}, designed to enhance the performance and efficiency of multi-task LLMs. With merely 360 million parameters, Cappy functions either independently on classification tasks or serve as an auxiliary component for LLMs, boosting their performance.


Revisiting Out-of-distribution Robustness in NLP: Benchmarks, Analysis, and LLMs Evaluations

Neural Information Processing Systems

We find that the distribution shift settings in previous studies commonly lack adequate challenges, hindering the accurate evaluation of OOD robustness. To address these issues, we propose a benchmark construction protocol that ensures clear differentiation and challenging distribution shifts. Based on BOSS, we conduct a series of experiments on pretrained language models for analysis and evaluation of OOD robustness. First, for vanilla fine-tuning, we examine the relationship between in-distribution (ID) and OOD performance. We identify three typical types that unveil the inner learningmechanism, which could potentially facilitate the forecasting of OOD robustness, correlating with the advancements on ID datasets.


AdaPlanner: Adaptive Planning from Feedback with Language Models

Neural Information Processing Systems

Large language models (LLMs) have recently demonstrated the potential in acting as autonomous agents for sequential decision-making tasks. However, most existing methods either take actions greedily without planning or rely on static plans that are not adaptable to environmental feedback. Consequently, the sequential decision-making performance of LLM agents degenerates with problem complexity and plan horizons increase. We propose a closed-loop approach, AdaPlanner, which allows the LLM agent to refine its self-generated plan adaptively in response to environmental feedback. To mitigate hallucination, we develop a code-style LLM prompt structure that facilitates plan generation across a variety of tasks, environments, and agent capabilities. Furthermore, we propose a skill discovery mechanism that leverages successful plans as few-shot exemplars, enabling the agent to plan and refine with fewer task demonstrations.


Joint Prompt Optimization of Stacked LLMs using Variational Inference

Neural Information Processing Systems

Large language models (LLMs) can be seen as atomic units of computation mapping sequences to a distribution over sequences. Thus, they can be seen as stochastic language layers in a language network, where the learnable parameters are the natural language prompts at each layer. By stacking two such layers and feeding the output of one layer to the next, we obtain a Deep Language Network (DLN). We first show how to effectively perform prompt optimization for a 1-Layer language network (DLN-1). Then, we present an extension that applies to 2-layer DLNs (DLN-2), where two prompts must be learned.


Black-box Backdoor Defense via Zero-shot Image Purification

Neural Information Processing Systems

Backdoor attacks inject poisoned samples into the training data, resulting in the misclassification of the poisoned input during a model's deployment. Defending against such attacks is challenging, especially for real-world black-box models where only query access is permitted. In this paper, we propose a novel defense framework against backdoor attacks through Zero-shot Image Purification (ZIP). Our framework can be applied to poisoned models without requiring internal information about the model or any prior knowledge of the clean/poisoned samples. Our defense framework involves two steps.