Exploring the predictive capabilities of language models in material science is an ongoing interest. This study investigates the application of language model embeddings to enhance material property prediction in materials science. By evaluating various contextual embedding methods and pre-trained models, including Bidirectional Encoder Representations from Transformers (BERT) and Generative Pre-trained Transformers (GPT), we demonstrate that domain-specific models, particularly MatBERT significantly outperform general-purpose models in extracting implicit knowledge from compound names and material properties. Our findings reveal that information-dense embeddings from the third layer of MatBERT, combined with a context-averaging approach, offer the most effective method for capturing material-property relationships from the scientific literature. We also identify a crucial "tokenizer effect," highlighting the importance of specialized text processing techniques that preserve complete compound names while maintaining consistent token counts. These insights underscore the value of domain-specific training and tokenization in materials science applications and offer a promising pathway for accelerating the discovery and development of new materials through AI-driven approaches.
We describe our contribution to the Strict and Strict-Small tracks of the 2nd iteration of the BabyLM Challenge. The shared task is centered around efficient pre-training given data constraints motivated by human development. In response, we study the effect of synthetic story data in language pre-training using TinyStories: a recently introduced dataset of short stories. Initially, we train GPT-Neo models on subsets of TinyStories, while varying the amount of available data. We find that, even with access to less than 100M words, the models are able to generate high-quality, original completions to a given story, and acquire substantial linguistic knowledge. To measure the effect of synthetic story data, we train LTG-BERT encoder models on a combined dataset of: a subset of TinyStories, story completions generated by GPT-Neo, and a subset of the BabyLM dataset. Our experimentation reveals that synthetic data can occasionally offer modest gains, but overall have a negative influence on linguistic understanding. Our work offers an initial study on synthesizing story data in low resource settings and underscores their potential for augmentation in data-constrained language modeling. We publicly release our models and implementation on our GitHub.
Pretrained language models have shown strong effectiveness in code-related tasks, such as code retrieval, code generation, code summarization, and code completion tasks. In this paper, we propose COde assistaNt viA retrieval-augmeNted language model (CONAN), which aims to build a code assistant by mimicking the knowledge-seeking behaviors of humans during coding. Specifically, it consists of a code structure aware retriever (CONAN-R) and a dual-view code representation-based retrieval-augmented generation model (CONAN-G). CONAN-R pretrains CodeT5 using Code-Documentation Alignment and Masked Entity Prediction tasks to make language models code structure-aware and learn effective representations for code snippets and documentation. Then CONAN-G designs a dual-view code representation mechanism for implementing a retrieval-augmented code generation model. CONAN-G regards the code documentation descriptions as prompts, which help language models better understand the code semantics. Our experiments show that CONAN achieves convincing performance on different code generation tasks and significantly outperforms previous retrieval augmented code generation models. Our further analyses show that CONAN learns tailored representations for both code snippets and documentation by aligning code-documentation data pairs and capturing structural semantics by masking and predicting entities in the code data. Additionally, the retrieved code snippets and documentation provide necessary information from both program language and natural language to assist the code generation process. CONAN can also be used as an assistant for Large Language Models (LLMs), providing LLMs with external knowledge in shorter code document lengths to improve their effectiveness on various code tasks. It shows the ability of CONAN to extract necessary information and help filter out the noise from retrieved code documents.
Reward models are critical in techniques like Reinforcement Learning from Human Feedback (RLHF) and Inference Scaling Laws, where they guide language model alignment and select optimal responses. Despite their importance, existing reward model benchmarks often evaluate models by asking them to distinguish between responses generated by models of varying power. However, this approach fails to assess reward models on subtle but critical content changes and variations in style, resulting in a low correlation with policy model performance. To this end, we introduce RM-Bench, a novel benchmark designed to evaluate reward models based on their sensitivity to subtle content differences and resistance to style biases. Extensive experiments demonstrate that RM-Bench strongly correlates with policy model performance, making it a reliable reference for selecting reward models to align language models effectively. We evaluate nearly 40 reward models on RM-Bench. Our results reveal that even state-of-the-art models achieve an average performance of only 46.6%, which falls short of random-level accuracy (50%) when faced with style bias interference. These findings highlight the significant room for improvement in current reward models. Related code and data are available at https://github.com/THU-KEG/RM-Bench.
Intermediate task transfer learning can greatly improve model performance. If, for example, one has little training data for emotion detection, first fine-tuning a language model on a sentiment classification dataset may improve performance strongly. But which task to choose for transfer learning? Prior methods producing useful task rankings are infeasible for large source pools, as they require forward passes through all source language models. We overcome this by introducing Embedding Space Maps (ESMs), light-weight neural networks that approximate the effect of fine-tuning a language model. We conduct the largest study on NLP task transferability and task selection with 12k source-target pairs. We find that applying ESMs on a prior method reduces execution time and disk space usage by factors of 10 and 278, respectively, while retaining high selection performance (avg. regret@5 score of 2.95).
A plethora of jailbreaking attacks have been proposed to obtain harmful responses from safety-tuned LLMs. In their original settings, these methods all largely succeed in coercing the target output, but their attacks vary substantially in fluency and computational effort. In this work, we propose a unified threat model for the principled comparison of these methods. Our threat model combines constraints in perplexity, measuring how far a jailbreak deviates from natural text, and computational budget, in total FLOPs. For the former, we build an N-gram model on 1T tokens, which, in contrast to model-based perplexity, allows for an LLM-agnostic and inherently interpretable evaluation. We adapt popular attacks to this new, realistic threat model, with which we, for the first time, benchmark these attacks on equal footing. After a rigorous comparison, we not only find attack success rates against safety-tuned modern models to be lower than previously presented but also find that attacks based on discrete optimization significantly outperform recent LLM-based attacks. Being inherently interpretable, our threat model allows for a comprehensive analysis and comparison of jailbreak attacks. We find that effective attacks exploit and abuse infrequent N-grams, either selecting N-grams absent from real-world text or rare ones, e.g. specific to code datasets.
We introduce the Seismic Language Model (SeisLM), a foundational model designed to analyze seismic waveforms -- signals generated by Earth's vibrations such as the ones originating from earthquakes. SeisLM is pretrained on a large collection of open-source seismic datasets using a self-supervised contrastive loss, akin to BERT in language modeling. This approach allows the model to learn general seismic waveform patterns from unlabeled data without being tied to specific downstream tasks. When fine-tuned, SeisLM excels in seismological tasks like event detection, phase-picking, onset time regression, and foreshock-aftershock classification. The code has been made publicly available on https://github.com/liutianlin0121/seisLM.
KV cache compression methods have mainly relied on scalar quantization techniques to reduce the memory requirements during decoding. In this work, we apply residual vector quantization, which has been widely used for high fidelity audio compression, to compress KV cache in large language models (LLM). We adapt the standard recipe with minimal changes to compress the output of any key or value projection matrix in a pretrained LLM: we scale the vector by its standard deviation, divide channels into groups and then quantize each group with the same residual vector quantizer. We learn the codebook using exponential moving average and there are no other learnable parameters including the input and output projections normally used in a vector quantization set up. We find that a residual depth of 8 recovers most of the performance of the unquantized model. We also find that grouping non-contiguous channels together works better than grouping contiguous channels for compressing key matrix and the method further benefits from a light weight finetuning of LLM together with the quantization. Overall, the proposed technique is competitive with existing quantization methods while being much simpler and results in 5.5x compression compared to half precision.
Protein structures are important for understanding their functions and interactions. Currently, many protein structure prediction methods are enriching the structure database. Discriminating the origin of structures is crucial for distinguishing between experimentally resolved and computationally predicted structures, evaluating the reliability of prediction methods, and guiding downstream biological studies. Building on works in structure prediction, We developed a structure-sensitive supervised deep learning model, Crystal vs Predicted Evaluator for Protein Structure (CPE-Pro), to represent and discriminate the origin of protein structures. CPE-Pro learns the structural information of proteins and captures inter-structural differences to achieve accurate traceability on four data classes, and is expected to be extended to more. Simultaneously, we utilized Foldseek to encode protein structures into "structure-sequences" and trained a protein Structural Sequence Language Model, SSLM. Preliminary experiments demonstrated that, compared to large-scale protein language models pre-trained on vast amounts of amino acid sequences, the "structure-sequence" enables the language model to learn more informative protein features, enhancing and optimizing structural representations. We have provided the code, model weights, and all related materials on https://github.com/GouWenrui/CPE-Pro-main.git.
Large Language Models (LLMs) have shown impressive capabilities in many scenarios, but their performance depends, in part, on the choice of prompt. Past research has focused on optimizing prompts specific to a task. However, much less attention has been given to optimizing the general instructions included in a prompt, known as a system prompt. To address this gap, we propose SPRIG, an edit-based genetic algorithm that iteratively constructs prompts from prespecified components to maximize the model's performance in general scenarios. We evaluate the performance of system prompts on a collection of 47 different types of tasks to ensure generalizability. Our study finds that a single optimized system prompt performs on par with task prompts optimized for each individual task. Moreover, combining system and task-level optimizations leads to further improvement, which showcases their complementary nature. Experiments also reveal that the optimized system prompts generalize effectively across model families, parameter sizes, and languages. This study provides insights into the role of system-level instructions in maximizing LLM potential.
Smartphone agents are increasingly important for helping users control devices efficiently, with (Multimodal) Large Language Model (MLLM)-based approaches emerging as key contenders. Fairly comparing these agents is essential but challenging, requiring a varied task scope, the integration of agents with different implementations, and a generalisable evaluation pipeline to assess their strengths and weaknesses. In this paper, we present SPA-Bench, a comprehensive SmartPhone Agent Benchmark designed to evaluate (M)LLM-based agents in an interactive environment that simulates real-world conditions. SPA-Bench offers three key contributions: (1) A diverse set of tasks covering system and third-party apps in both English and Chinese, focusing on features commonly used in daily routines; (2) A plug-and-play framework enabling real-time agent interaction with Android devices, integrating over ten agents with the flexibility to add more; (3) A novel evaluation pipeline that automatically assesses agent performance across multiple dimensions, encompassing seven metrics related to task completion and resource consumption. Our extensive experiments across tasks and agents reveal challenges like interpreting mobile user interfaces, action grounding, memory retention, and execution costs. We propose future research directions to ease these difficulties, moving closer to real-world smartphone agent applications. SPA-Bench is available at https://ai-agents-2030.github.io/SPA-Bench/.
Fine-tuning language models has become increasingly popular following the proliferation of open models and improvements in cost-effective parameter efficient fine-tuning. However, fine-tuning can influence model properties such as safety. We assess how fine-tuning can impact different open models' propensity to output toxic content. We assess the impacts of fine-tuning Gemma, Llama, and Phi models on toxicity through three experiments. We compare how toxicity is reduced by model developers during instruction-tuning. We show that small amounts of parameter-efficient fine-tuning on developer-tuned models via low-rank adaptation on a non-adversarial dataset can significantly alter these results across models. Finally, we highlight the impact of this in the wild, demonstrating how toxicity rates of models fine-tuned by community contributors can deviate in hard-to-predict ways.
Self-Admitted Technical Debt (SATD) refers to circumstances where developers use textual artifacts to explain why the existing implementation is not optimal. Past research in detecting SATD has focused on either identifying SATD (classifying SATD items as SATD or not) or categorizing SATD (labeling instances as SATD that pertain to requirement, design, code, test debt, etc.). However, the performance of these approaches remains suboptimal, particularly for specific types of SATD, such as test and requirement debt, primarily due to extremely imbalanced datasets. To address these challenges, we build on earlier research by utilizing BiLSTM architecture for the binary identification of SATD and BERT architecture for categorizing different types of SATD. Despite their effectiveness, both architectures struggle with imbalanced data. Therefore, we employ a large language model data augmentation strategy to mitigate this issue. Furthermore, we introduce a two-step approach to identify and categorize SATD across various datasets derived from different artifacts. Our contributions include providing a balanced dataset for future SATD researchers and demonstrating that our approach significantly improves SATD identification and categorization performance compared to baseline methods.
With the advancements in open-source models, training (or finetuning) models on custom datasets has become a crucial part of developing solutions which are tailored to specific industrial or open-source applications. Yet, there is no single tool which simplifies the process of training across different types of modalities or tasks. We introduce AutoTrain (aka AutoTrain Advanced) -- an open-source, no code tool/library which can be used to train (or finetune) models for different kinds of tasks such as: large language model (LLM) finetuning, text classification/regression, token classification, sequence-to-sequence task, finetuning of sentence transformers, visual language model (VLM) finetuning, image classification/regression and even classification and regression tasks on tabular data. AutoTrain Advanced is an open-source library providing best practices for training models on custom datasets. The library is available at https://github.com/huggingface/autotrain-advanced. AutoTrain can be used in fully local mode or on cloud machines and works with tens of thousands of models shared on Hugging Face Hub and their variations.
Reward models (RMs) have driven the state-of-the-art performance of LLMs today by enabling the integration of human feedback into the language modeling process. However, RMs are primarily trained and evaluated in English, and their capabilities in multilingual settings remain largely understudied. In this work, we conduct a systematic evaluation of several reward models in multilingual settings. We first construct the first-of-its-kind multilingual RM evaluation benchmark, M-RewardBench, consisting of 2.87k preference instances for 23 typologically diverse languages, that tests the chat, safety, reasoning, and translation capabilities of RMs. We then rigorously evaluate a wide range of reward models on M-RewardBench, offering fresh insights into their performance across diverse languages. We identify a significant gap in RMs' performances between English and non-English languages and show that RM preferences can change substantially from one language to another. We also present several findings on how different multilingual aspects impact RM performance. Specifically, we show that the performance of RMs is improved with improved translation quality. Similarly, we demonstrate that the models exhibit better performance for high-resource languages. We release M-RewardBench dataset and the codebase in this study to facilitate a better understanding of RM evaluation in multilingual settings.
Chain-of-thought (CoT) reasoning in vision language models (VLMs) is crucial for improving interpretability and trustworthiness. However, current training recipes lack robust CoT reasoning data, relying on datasets dominated by short annotations with minimal rationales. In this work, we show that training VLM on short answers does not generalize well to reasoning tasks that require more detailed responses. To address this, we propose a two-fold approach. First, we distill rationales from GPT-4o model to enrich the training data and fine-tune VLMs, boosting their CoT performance. Second, we apply reinforcement learning to further calibrate reasoning quality. Specifically, we construct positive (correct) and negative (incorrect) pairs of model-generated reasoning chains, by comparing their predictions with annotated short answers. Using this pairwise data, we apply the Direct Preference Optimization algorithm to refine the model's reasoning abilities. Our experiments demonstrate significant improvements in CoT reasoning on benchmark datasets and better generalization to direct answer prediction as well. This work emphasizes the importance of incorporating detailed rationales in training and leveraging reinforcement learning to strengthen the reasoning capabilities of VLMs.
Recently, sharing key-value (KV) cache across layers has been found effective in efficient inference of large language models (LLMs). To systematically investigate different techniques of cross-layer KV sharing, we propose a unified framework that covers several recent methods and their novel variants. We conduct comprehensive experiments on all the configurations of the framework, evaluating their generation throughput and performance in language modeling and downstream tasks. We find that when reducing the size of the KV cache by 2x, most configurations can achieve competitive performance to and higher throughput than standard transformers, but when further reducing the size of the KV cache, pairing queries of all layers with KVs of upper layers can better maintain performance, although it also introduces additional training cost and prefilling latency. We hope that this work will help users choose the appropriate approach according to their requirements and facilitate research on the acceleration of LLM inference.
Neural audio codecs have recently gained popularity because they can represent audio signals with high fidelity at very low bitrates, making it feasible to use language modeling approaches for audio generation and understanding. Residual Vector Quantization (RVQ) has become the standard technique for neural audio compression using a cascade of VQ codebooks. This paper proposes the Multi-Scale Neural Audio Codec, a simple extension of RVQ where the quantizers can operate at different temporal resolutions. By applying a hierarchy of quantizers at variable frame rates, the codec adapts to the audio structure across multiple timescales. This leads to more efficient compression, as demonstrated by extensive objective and subjective evaluations. The code and model weights are open-sourced at https://github.com/hubertsiuzdak/snac.
The growing reproducibility crisis in machine learning has brought forward a need for careful examination of research findings. This paper investigates the claims made by Lei et al. (2023) regarding their proposed method, LICO, for enhancing post-hoc interpretability techniques and improving image classification performance. LICO leverages natural language supervision from a vision-language model to enrich feature representations and guide the learning process. We conduct a comprehensive reproducibility study, employing (Wide) ResNets and established interpretability methods like Grad-CAM and RISE. We were mostly unable to reproduce the authors' results. In particular, we did not find that LICO consistently led to improved classification performance or improvements in quantitative and qualitative measures of interpretability. Thus, our findings highlight the importance of rigorous evaluation and transparent reporting in interpretability research.
Existing tools to detect text generated by a large language model (LLM) have met with certain success, but their performance can drop when dealing with texts in new domains. To tackle this issue, we train a ranking classifier called RoBERTa-Ranker, a modified version of RoBERTa, as a baseline model using a dataset we constructed that includes a wider variety of texts written by humans and generated by various LLMs. We then present a method to fine-tune RoBERTa-Ranker that requires only a small amount of labeled data in a new domain. Experiments show that this fine-tuned domain-aware model outperforms the popular DetectGPT and GPTZero on both in-domain and cross-domain texts, where AI-generated texts may either be in a different domain or generated by a different LLM not used to generate the training datasets. This approach makes it feasible and economical to build a single system to detect AI-generated texts across various domains.