Large language models (LLMs) may exhibit undesirable behaviors. Recent efforts have focused on aligning these models to prevent harmful generation. Despite these efforts, studies have shown that even a well-conducted alignment process can be easily circumvented, whether intentionally or accidentally. Do alignment fine-tuning have robust effects on models, or are merely superficial? In this work, we answer this question through both theoretical and empirical means. Empirically, we demonstrate the elasticity of post-alignment models, i.e., the tendency to revert to the behavior distribution formed during the pre-training phase upon further fine-tuning. Using compression theory, we formally derive that such fine-tuning process disproportionately undermines alignment compared to pre-training, potentially by orders of magnitude. We conduct experimental validations to confirm the presence of elasticity across models of varying types and sizes. Specifically, we find that model performance declines rapidly before reverting to the pre-training distribution, after which the rate of decline drops significantly. We further reveal that elasticity positively correlates with increased model size and the expansion of pre-training data. Our discovery signifies the importance of taming the inherent elasticity of LLMs, thereby overcoming the resistance of LLMs to alignment finetuning.

Large language models (LLMs) are typically fine-tuned on diverse and extensive datasets sourced from various origins to develop a comprehensive range of skills, such as writing, reasoning, chatting, coding, and more. Each skill has unique characteristics, and these datasets are often heterogeneous and imbalanced, making the fine-tuning process highly challenging. Balancing the development of each skill while ensuring the model maintains its overall performance requires sophisticated techniques and careful dataset curation. In this work, we propose a general, model-agnostic, reinforcement learning framework, Mixture-of-Skills (MoS), that learns to optimize data usage automatically during the fine-tuning process. This framework ensures the optimal comprehensive skill development of LLMs by dynamically adjusting the focus on different datasets based on their current learning state. To validate the effectiveness of MoS, we conduct extensive experiments using three diverse LLM backbones on two widely used benchmarks and demonstrate that MoS substantially enhances model performance. Building on the success of MoS, we propose MoSpec, an adaptation for task-specific fine-tuning, which harnesses the utilities of various datasets for a specific purpose. Our work underlines the significance of dataset rebalancing and present MoS as a powerful, general solution for optimizing data usage in the fine-tuning of LLMs for various purposes.

Recent advances in deep learning have enabled the generation of realistic data by training generative models on large datasets of text, images, and audio. While these models have demonstrated exceptional performance in generating novel and plausible data, it remains an open question whether they can effectively accelerate scientific discovery through the data generation and drive significant advancements across various scientific fields. In particular, the discovery of new inorganic materials with promising properties poses a critical challenge, both scientifically and for industrial applications. However, unlike textual or image data, materials, or more specifically crystal structures, consist of multiple types of variables - including lattice vectors, atom positions, and atomic species. This complexity in data give rise to a variety of approaches for representing and generating such data. Consequently, the design choices of generative models for crystal structures remain an open question. In this study, we explore a new type of diffusion model for the generative inverse design of crystal structures, with a backbone based on a Transformer architecture. We demonstrate our models are superior to previous methods in their versatility for generating crystal structures with desired properties. Furthermore, our empirical results suggest that the optimal conditioning methods vary depending on the dataset.

State of the art large language models (LLMs) have shown impressive performance on a variety of benchmark tasks and are increasingly used as components in larger applications, where LLM-based predictions serve as proxies for human judgements or decision. This raises questions about the human-likeness of LLM-derived information, alignment with human intuition, and whether LLMs could possibly be considered (parts of) explanatory models of (aspects of) human cognition or language use. To shed more light on these issues, we here investigate the human-likeness of LLMs' predictions for multiple-choice decision tasks from the perspective of Bayesian statistical modeling. Using human data from a forced-choice experiment on pragmatic language use, we find that LLMs do not capture the variance in the human data at the item-level. We suggest different ways of deriving full distributional predictions from LLMs for aggregate, condition-level data, and find that some, but not all ways of obtaining condition-level predictions yield adequate fits to human data. These results suggests that assessment of LLM performance depends strongly on seemingly subtle choices in methodology, and that LLMs are at best predictors of human behavior at the aggregate, condition-level, for which they are, however, not designed to, or usually used to, make predictions in the first place.

Controllable text generation (CTG) seeks to craft texts adhering to specific attributes, traditionally employing learning-based techniques such as training, fine-tuning, or prefix-tuning with attribute-specific datasets. These approaches, while effective, demand extensive computational and data resources. In contrast, some proposed learning-free alternatives circumvent learning but often yield inferior results, exemplifying the fundamental machine learning trade-off between computational expense and model efficacy. To overcome these limitations, we propose FreeCtrl, a learning-free approach that dynamically adjusts the weights of selected feedforward neural network (FFN) vectors to steer the outputs of large language models (LLMs). FreeCtrl hinges on the principle that the weights of different FFN vectors influence the likelihood of different tokens appearing in the output. By identifying and adaptively adjusting the weights of attribute-related FFN vectors, FreeCtrl can control the output likelihood of attribute keywords in the generated content. Extensive experiments on single- and multi-attribute control reveal that the learning-free FreeCtrl outperforms other learning-free and learning-based methods, successfully resolving the dilemma between learning costs and model performance.

The global cost of drug discovery and development exceeds $200 billion annually. The main results of drug discovery and development are the outcomes of clinical trials, which directly influence the regulatory approval of new drug candidates and ultimately affect patient outcomes. Despite their significance, large-scale, high-quality clinical trial outcome data are not readily available to the public. Suppose a large clinical trial outcome dataset is provided; machine learning researchers can potentially develop accurate prediction models using past trials and outcome labels, which could help prioritize and optimize therapeutic programs, ultimately benefiting patients. This paper introduces Clinical Trial Outcome (CTO) dataset, the largest trial outcome dataset with around 479K clinical trials, aggregating outcomes from multiple sources of weakly supervised labels, minimizing the noise from individual sources, and eliminating the need for human annotation. These sources include large language model (LLM) decisions on trial-related documents, news headline sentiments, stock prices of trial sponsors, trial linkages across phases, and other signals such as patient dropout rates and adverse events. CTO's labels show unprecedented agreement with supervised clinical trial outcome labels from test split of the supervised TOP dataset, with a 91 F1.

Large language models (LLMs) are susceptible to a variety of risks, from non-faithful output to biased and toxic generations. Due to several limiting factors surrounding LLMs (training cost, API access, data availability, etc.), it may not always be feasible to impose direct safety constraints on a deployed model. Therefore, an efficient and reliable alternative is required. To this end, we present our ongoing efforts to create and deploy a library of detectors: compact and easy-to-build classification models that provide labels for various harms. In addition to the detectors themselves, we discuss a wide range of uses for these detector models - from acting as guardrails to enabling effective AI governance. We also deep dive into inherent challenges in their development and discuss future work aimed at making the detectors more reliable and broadening their scope.

The widespread adoption of scalable mobile sensing has led to large amounts of time series data for real-world applications. A fundamental application is multivariate time series forecasting (MTSF), which aims to predict future time series values based on historical observations. Existing MTSF methods suffer from limited parameterization and small-scale training data. Recently, Large language models (LLMs) have been introduced in time series, which achieve promising forecasting performance but incur heavy computational costs. To solve these challenges, we propose TimeCMA, an LLM-empowered framework for time series forecasting with cross-modality alignment. We design a dual-modality encoding module with two branches, where the time series encoding branch extracts relatively low-quality yet pure embeddings of time series through an inverted Transformer. In addition, the LLM-empowered encoding branch wraps the same time series as prompts to obtain high-quality yet entangled prompt embeddings via a Pre-trained LLM. Then, we design a cross-modality alignment module to retrieve high-quality and pure time series embeddings from the prompt embeddings. Moreover, we develop a time series forecasting module to decode the aligned embeddings while capturing dependencies among multiple variables for forecasting. Notably, we tailor the prompt to encode sufficient temporal information into a last token and design the last token embedding storage to reduce computational costs. Extensive experiments on real data offer insight into the accuracy and efficiency of the proposed framework.

The deployment of Large Language Models (LLMs) in real-world applications presents both opportunities and challenges, particularly in multilingual and code-mixed communication settings. This research evaluates the performance of seven leading LLMs in sentiment analysis on a dataset derived from multilingual and code-mixed WhatsApp chats, including Swahili, English and Sheng. Our evaluation includes both quantitative analysis using metrics like F1 score and qualitative assessment of LLMs' explanations for their predictions. We find that, while Mistral-7b and Mixtral-8x7b achieved high F1 scores, they and other LLMs such as GPT-3.5-Turbo, Llama-2-70b, and Gemma-7b struggled with understanding linguistic and contextual nuances, as well as lack of transparency in their decision-making process as observed from their explanations. In contrast, GPT-4 and GPT-4-Turbo excelled in grasping diverse linguistic inputs and managing various contextual information, demonstrating high consistency with human alignment and transparency in their decision-making process. The LLMs however, encountered difficulties in incorporating cultural nuance especially in non-English settings with GPT-4s doing so inconsistently. The findings emphasize the necessity of continuous improvement of LLMs to effectively tackle the challenges of culturally nuanced, low-resource real-world settings and the need for developing evaluation benchmarks for capturing these issues.

Instruction tuning has emerged as a powerful technique, significantly boosting zero-shot performance on unseen tasks. While recent work has explored cross-lingual generalization by applying instruction tuning to multilingual models, previous studies have primarily focused on English, with a limited exploration of non-English tasks. For an in-depth exploration of cross-lingual generalization in instruction tuning, we perform instruction tuning individually for two distinct language meta-datasets. Subsequently, we assess the performance on unseen tasks in a language different from the one used for training. To facilitate this investigation, we introduce a novel non-English meta-dataset named "KORANI" (Korean Natural Instruction), comprising 51 Korean benchmarks. Moreover, we design cross-lingual templates to mitigate discrepancies in language and instruction-format of the template between training and inference within the cross-lingual setting. Our experiments reveal consistent improvements through cross-lingual generalization in both English and Korean, outperforming baseline by average scores of 20.7\% and 13.6\%, respectively. Remarkably, these enhancements are comparable to those achieved by monolingual instruction tuning and even surpass them in some tasks. The result underscores the significance of relevant data acquisition across languages over linguistic congruence with unseen tasks during instruction tuning.