Distribution shift is a common situation in machine learning tasks, where the data used for training a model is different from the data the model is applied to in the real world. This issue arises across multiple technical settings: from standard prediction tasks, to time-series forecasting, and to more recent applications of large language models (LLMs). This mismatch can lead to performance reductions, and can be related to a multiplicity of factors: sampling issues and non-representative data, changes in the environment or policies, or the emergence of previously unseen scenarios. This brief focuses on the definition and detection of distribution shifts in educational settings. We focus on standard prediction problems, where the task is to learn a model that takes in a series of input (predictors) $X=(x_1,x_2,...,x_m)$ and produces an output $Y=f(X)$.

Mixture-of-Experts (MoE) has emerged as a prominent architecture for scaling model size while maintaining computational efficiency. In MoE, each token in the input sequence activates a different subset of experts determined by a routing mechanism. However, the unchosen experts in MoE models do not contribute to the output, potentially leading to underutilization of the model's capacity. In this work, we first conduct exploratory studies to demonstrate that increasing the number of activated experts does not necessarily improve and can even degrade the output quality. Then, we show that output distributions from an MoE model using different routing strategies substantially differ, indicating that different experts do not always act synergistically. Motivated by these findings, we propose Self-Contrast Mixture-of-Experts (SCMoE), a training-free strategy that utilizes unchosen experts in a self-contrast manner during inference. In SCMoE, the next-token probabilities are determined by contrasting the outputs from strong and weak activation using the same MoE model. Our method is conceptually simple and computationally lightweight, as it incurs minimal latency compared to greedy decoding. Experiments on several benchmarks (GSM8K, StrategyQA, MBPP and HumanEval) demonstrate that SCMoE can consistently enhance Mixtral 8x7B's reasoning capability across various domains. For example, it improves the accuracy on GSM8K from 61.79 to 66.94. Moreover, combining SCMoE with self-consistency yields additional gains, increasing major@20 accuracy from 75.59 to 78.31.

Large language models require updates to remain up-to-date or adapt to new domains by fine-tuning them with new documents. One key is memorizing the latest information in a way that the memorized information is extractable with a query prompt. However, LLMs suffer from a phenomenon called "perplexity curse"; despite minimizing document perplexity during fine-tuning, LLMs struggle to extract information through a prompt sentence. In this new knowledge acquisition and extraction, we find a very intriguing fact that LLMs can accurately answer questions about the first sentence, but they struggle to extract information described in the middle or end of the documents used for fine-tuning. Our study suggests that the auto-regressive training causes this issue; each token is prompted by reliance on all previous tokens, which hinders the model from recalling information from training documents by question prompts. To conduct the in-depth study, we publish both synthetic and real datasets, enabling the evaluation of the QA performance w.r.t. the position of the corresponding answer in a document. Our investigation shows that even a large model suffers from the "perplexity curse", but regularization such as denoising auto-regressive loss can enhance the information extraction from diverse positions. These findings will be (i) a key to improving knowledge extraction from LLMs and (ii) new elements to discuss the trade-off between RAG and fine-tuning in adapting LLMs to a new domain.

Dynamic data-driven Digital Twins (DDTs) can enable informed decision-making and provide an optimisation platform for the underlying system. By leveraging principles of Dynamic Data-Driven Applications Systems (DDDAS), DDTs can formulate computational modalities for feedback loops, model updates and decision-making, including autonomous ones. However, understanding autonomous decision-making often requires technical and domain-specific knowledge. This paper explores using large language models (LLMs) to provide an explainability platform for DDTs, generating natural language explanations of the system's decision-making by leveraging domain-specific knowledge bases. A case study from smart agriculture is presented.

This paper presents a novel approach for predicting Power Conversion Efficiency (PCE) of Organic Photovoltaic (OPV) devices, called GLaD: synergizing molecular Graphs and Language Descriptors for enhanced PCE prediction. Due to the lack of high-quality experimental data, we collect a dataset consisting of 500 pairs of OPV donor and acceptor molecules along with their corresponding PCE values, which we utilize as the training data for our predictive model. In this low-data regime, GLaD leverages properties learned from large language models (LLMs) pretrained on extensive scientific literature to enrich molecular structural representations, allowing for a multimodal representation of molecules. GLaD achieves precise predictions of PCE, thereby facilitating the synthesis of new OPV molecules with improved efficiency. Furthermore, GLaD showcases versatility, as it applies to a range of molecular property prediction tasks (BBBP, BACE, ClinTox, and SIDER), not limited to those concerning OPV materials. Especially, GLaD proves valuable for tasks in low-data regimes within the chemical space, as it enriches molecular representations by incorporating molecular property descriptions learned from large-scale pretraining. This capability is significant in real-world scientific endeavors like drug and material discovery, where access to comprehensive data is crucial for informed decision-making and efficient exploration of the chemical space.

This paper describes a rapid feasibility study of using GPT-4, a large language model (LLM), to (semi)automate data extraction in systematic reviews. Despite the recent surge of interest in LLMs there is still a lack of understanding of how to design LLM-based automation tools and how to robustly evaluate their performance. During the 2023 Evidence Synthesis Hackathon we conducted two feasibility studies. Firstly, to automatically extract study characteristics from human clinical, animal, and social science domain studies. We used two studies from each category for prompt-development; and ten for evaluation. Secondly, we used the LLM to predict Participants, Interventions, Controls and Outcomes (PICOs) labelled within 100 abstracts in the EBM-NLP dataset. Overall, results indicated an accuracy of around 80%, with some variability between domains (82% for human clinical, 80% for animal, and 72% for studies of human social sciences). Causal inference methods and study design were the data extraction items with the most errors. In the PICO study, participants and intervention/control showed high accuracy (>80%), outcomes were more challenging. Evaluation was done manually; scoring methods such as BLEU and ROUGE showed limited value. We observed variability in the LLMs predictions and changes in response quality. This paper presents a template for future evaluations of LLMs in the context of data extraction for systematic review automation. Our results show that there might be value in using LLMs, for example as second or third reviewers. However, caution is advised when integrating models such as GPT-4 into tools. Further research on stability and reliability in practical settings is warranted for each type of data that is processed by the LLM.

Recent advancements in large language models (LLMs) have substantially enhanced their mathematical reasoning abilities. However, these models still struggle with complex problems that require multiple reasoning steps, frequently leading to logical or numerical errors. While numerical mistakes can be largely addressed by integrating a code interpreter, identifying logical errors within intermediate steps is more challenging. Moreover, manually annotating these steps for training is not only expensive but also labor-intensive, requiring the expertise of professional annotators. In our study, we introduce an innovative approach that bypasses the need for process annotations (from human or GPTs) by utilizing the Monte Carlo Tree Search (MCTS) framework. This technique automatically generates both the process supervision and the step-level evaluation signals. Our method iteratively trains the policy and value models, leveraging the capabilities of a well-pretrained LLM to progressively enhance its mathematical reasoning skills. Furthermore, we propose an efficient inference strategy--step-level beam search, where the value model is crafted to assist the policy model (i.e., LLM) in navigating more effective reasoning paths, rather than solely relying on prior probabilities. The experimental results on both in-domain and out-of-domain datasets demonstrate that even without GPT-4 or human-annotated process supervision, our AlphaMath framework achieves comparable or superior results to previous state-of-the-art methods.

Recent advancements in large language models (LLMs) have highlighted the risk of misuse, raising concerns about accurately detecting LLM-generated content. A viable solution for the detection problem is to inject imperceptible identifiers into LLMs, known as watermarks. Previous work demonstrates that unbiased watermarks ensure unforgeability and preserve text quality by maintaining the expectation of the LLM output probability distribution. However, previous unbiased watermarking methods are impractical for local deployment because they rely on accesses to white-box LLMs and input prompts during detection. Moreover, these methods fail to provide statistical guarantees for the type II error of watermark detection. This study proposes the Sampling One Then Accepting (STA-1) method, an unbiased watermark that does not require access to LLMs nor prompts during detection and has statistical guarantees for the type II error. Moreover, we propose a novel tradeoff between watermark strength and text quality in unbiased watermarks. We show that in low-entropy scenarios, unbiased watermarks face a tradeoff between watermark strength and the risk of unsatisfactory outputs. Experimental results on low-entropy and high-entropy datasets demonstrate that STA-1 achieves text quality and watermark strength comparable to existing unbiased watermarks, with a low risk of unsatisfactory outputs. Implementation codes for this study are available online.

We introduce a novel framework of LLM agents named AGILE (AGent that Interacts and Learns from Environments) designed to perform complex conversational tasks with users, leveraging LLMs, memory, tools, and interactions with experts. The agent's abilities include not only conversation but also reflection, utilization of tools, and consultation with experts. We formulate the construction of such an LLM agent as a reinforcement learning problem, in which the LLM serves as the policy model. We fine-tune the LLM using labeled data of actions and the PPO algorithm. We focus on question answering and release a dataset for agents called ProductQA, comprising challenging questions in online shopping. Our extensive experiments on ProductQA and MedMCQA show that AGILE agents based on 13B and 7B LLMs trained with PPO can outperform GPT-4 agents. Our ablation study highlights the indispensability of memory, tools, consultation, reflection, and reinforcement learning in achieving the agent's strong performance.

As large language models (LLMs) demonstrate unparalleled performance and generalization ability, LLMs are widely used and integrated into various applications. When it comes to sensitive domains, as commonly described in federated learning scenarios, directly using external LLMs on private data is strictly prohibited by stringent data security and privacy regulations. For local clients, the utilization of LLMs to improve the domain-specific small language models (SLMs), characterized by limited computational resources and domain-specific data, has attracted considerable research attention. By observing that LLMs can empower domain-specific SLMs, existing methods predominantly concentrate on leveraging the public data or LLMs to generate more data to transfer knowledge from LLMs to SLMs. However, due to the discrepancies between LLMs' generated data and clients' domain-specific data, these methods cannot yield substantial improvements in the domain-specific tasks. In this paper, we introduce a Federated Domain-specific Knowledge Transfer (FDKT) framework, which enables domain-specific knowledge transfer from LLMs to SLMs while preserving clients' data privacy. The core insight is to leverage LLMs to augment data based on domain-specific few-shot demonstrations, which are synthesized from private domain data using differential privacy. Such synthetic samples share similar data distribution with clients' private data and allow the server LLM to generate particular knowledge to improve clients' SLMs. The extensive experimental results demonstrate that the proposed FDKT framework consistently and greatly improves SLMs' task performance by around 5\% with a privacy budget of less than 10, compared to local training on private data.