We present Multi-expert Prompting, a novel enhancement of ExpertPrompting (Xu et al., 2023), designed to improve the large language model (LLM) generation. Specifically, it guides an LLM to fulfill an input instruction by simulating multiple experts, aggregating their responses, and selecting the best among individual and aggregated responses. This process is performed in a single chain of thoughts through our seven carefully designed subtasks derived from the Nominal Group Technique (Ven and Delbecq, 1974), a well-established decision-making framework. Our evaluations demonstrate that Multi-expert Prompting significantly outperforms ExpertPrompting and comparable baselines in enhancing the truthfulness, factuality, informativeness, and usefulness of responses while reducing toxicity and hurtfulness. It further achieves state-of-the-art truthfulness by outperforming the best baseline by 8.69% with ChatGPT. Multi-expert Prompting is efficient, explainable, and highly adaptable to diverse scenarios, eliminating the need for manual prompt construction.
Generative deep learning has become pivotal in molecular design for drug discovery, materials science, and chemical engineering. A widely used paradigm is to pretrain neural networks on string representations of molecules and fine-tune them using reinforcement learning on specific objectives. However, string-based models face challenges in ensuring chemical validity and enforcing structural constraints like the presence of specific substructures. We propose to instead combine graph-based molecular representations, which can naturally ensure chemical validity, with transformer architectures, which are highly expressive and capable of modeling long-range dependencies between atoms. Our approach iteratively modifies a molecular graph by adding atoms and bonds, which ensures chemical validity and facilitates the incorporation of structural constraints. We present GraphXForm, a decoder-only graph transformer architecture, which is pretrained on existing compounds and then fine-tuned using a new training algorithm that combines elements of the deep cross-entropy method and self-improvement learning. We evaluate GraphXForm on various drug design tasks, demonstrating superior objective scores compared to state-of-the-art molecular design approaches. Furthermore, we apply GraphXForm to two solvent design tasks for liquid-liquid extraction, again outperforming alternative methods while flexibly enforcing structural constraints or initiating design from existing molecular structures.
Recent advancements in LLM-based agents have led to significant progress in automatic software engineering, particularly in software maintenance and evolution. Despite these encouraging advances, current research faces two major challenges. First, SOTA performance primarily depends on closed-source models, which significantly limits the technology's accessibility, and potential for customization in diverse SE tasks. Second, these models are predominantly trained on static code data, lacking a deep understanding of the dynamic interactions, iterative problem-solving processes, and evolutionary characteristics inherent in software development. To address these challenges, our study adopts a software engineering perspective. We recognize that real-world software maintenance and evolution processes encompass not only static code data but also developers' thought processes, utilization of external tools, and the interaction between different functional personnel. Consequently, we introduce the Lingma SWE-GPT series, comprising Lingma SWE-GPT 7B and 72B. By learning from and simulating real-world code submission activities, Lingma SWE-GPT systematically incorporates the dynamic interactions and iterative problem-solving inherent in software development process, thereby achieving a more comprehensive understanding of software improvement processes. We conducted experimental evaluations using SWE-bench Verified benchmark. The results demonstrate that Lingma SWE-GPT 72B successfully resolves 30.20% of the GitHub issues, marking a significant improvement in automatic issue resolution (22.76% relative improvement compared to Llama 3.1 405B), approaching the performance of closed-source models (31.80\% issues of GPT-4o resolved). Notably, Lingma SWE-GPT 7B resolves 18.20% of the issues, highlighting the potential for applying smaller models to ASE tasks.
Reinforcement learning based fine-tuning of large language models (LLMs) on human preferences has been shown to enhance both their capabilities and safety behavior. However, in cases related to safety, without precise instructions to human annotators, the data collected may cause the model to become overly cautious, or to respond in an undesirable style, such as being judgmental. Additionally, as model capabilities and usage patterns evolve, there may be a costly need to add or relabel data to modify safety behavior. We propose a novel preference modeling approach that utilizes AI feedback and only requires a small amount of human data. Our method, Rule Based Rewards (RBR), uses a collection of rules for desired or undesired behaviors (e.g. refusals should not be judgmental) along with a LLM grader. In contrast to prior methods using AI feedback, our method uses fine-grained, composable, LLM-graded few-shot prompts as reward directly in RL training, resulting in greater control, accuracy and ease of updating. We show that RBRs are an effective training method, achieving an F1 score of 97.1, compared to a human-feedback baseline of 91.7, resulting in much higher safety-behavior accuracy through better balancing usefulness and safety.
While language models have exceptional capabilities at text generation, they lack a natural inductive bias for emitting numbers and thus struggle in tasks involving quantitative reasoning, especially arithmetic. One fundamental limitation is the nature of the Cross Entropy loss, which assumes a nominal scale and thus cannot convey proximity between generated number tokens. In response, we here present a regression-like loss that operates purely on token level. Our proposed Number Token Loss (NTL) comes in two flavors and minimizes either the Lp norm or the Wasserstein distance between the numerical values of the real and predicted number tokens. NTL can easily be added to any language model and extend the Cross Entropy objective during training without runtime overhead. We evaluate the proposed scheme on various mathematical datasets and find that it consistently improves performance in math-related tasks. In a direct comparison on a regression task, we find that NTL can match the performance of a regression head, despite operating on token level. Finally, we scale NTL up to 3B parameter models and observe improved performance, demonstrating its potential for seamless integration into LLMs. We hope that this work can inspire LLM developers to improve their pretraining objectives. The code is available via: https://tum-ai.github.io/number-token-loss/
Artificial Intelligence (AI) research often aims to develop models that can generalize reliably across complex datasets, yet this remains challenging in fields where data is scarce, intricate, or inaccessible. This paper introduces a novel approach that leverages three generative models of varying complexity to synthesize one of the most demanding structured datasets: Malicious Network Traffic. Our approach uniquely transforms numerical data into text, re-framing data generation as a language modeling task, which not only enhances data regularization but also significantly improves generalization and the quality of the synthetic data. Extensive statistical analyses demonstrate that our method surpasses state-of-the-art generative models in producing high-fidelity synthetic data. Additionally, we conduct a comprehensive study on synthetic data applications, effectiveness, and evaluation strategies, offering valuable insights into its role across various domains. Our code and pre-trained models are openly accessible at Github, enabling further exploration and application of our methodology. Index Terms: Data synthesis, machine learning, traffic generation, privacy preserving data, generative models.
Retrieval-augmented generation (RAG) combines knowledge from domain-specific sources into large language models to ground answer generation. Current RAG systems lack customizable visibility on the context documents and the model's attentiveness towards such documents. We propose RAGViz, a RAG diagnosis tool that visualizes the attentiveness of the generated tokens in retrieved documents. With a built-in user interface, retrieval index, and Large Language Model (LLM) backbone, RAGViz provides two main functionalities: (1) token and document-level attention visualization, and (2) generation comparison upon context document addition and removal. As an open-source toolkit, RAGViz can be easily hosted with a custom embedding model and HuggingFace-supported LLM backbone. Using a hybrid ANN (Approximate Nearest Neighbor) index, memory-efficient LLM inference tool, and custom context snippet method, RAGViz operates efficiently with a median query time of about 5 seconds on a moderate GPU node. Our code is available at https://github.com/cxcscmu/RAGViz. A demo video of RAGViz can be found at https://youtu.be/cTAbuTu6ur4.
We explore optimally training protein language models, an area of significant interest in biological research where guidance on best practices is limited. Most models are trained with extensive compute resources until performance gains plateau, focusing primarily on increasing model sizes rather than optimizing the efficient compute frontier that balances performance and compute budgets. Our investigation is grounded in a massive dataset consisting of 939 million protein sequences. We trained over 300 models ranging from 3.5 million to 10.7 billion parameters on 5 to 200 billion unique tokens, to investigate the relations between model sizes, training token numbers, and objectives. First, we observed the effect of diminishing returns for the Causal Language Model (CLM) and that of overfitting for the Masked Language Model~(MLM) when repeating the commonly used Uniref database. To address this, we included metagenomic protein sequences in the training set to increase the diversity and avoid the plateau or overfitting effects. Second, we obtained the scaling laws of CLM and MLM on Transformer, tailored to the specific characteristics of protein sequence data. Third, we observe a transfer scaling phenomenon from CLM to MLM, further demonstrating the effectiveness of transfer through scaling behaviors based on estimated Effectively Transferred Tokens. Finally, to validate our scaling laws, we compare the large-scale versions of ESM-2 and PROGEN2 on downstream tasks, encompassing evaluations of protein generation as well as structure- and function-related tasks, all within less or equivalent pre-training compute budgets.
This paper presents Randomized AutoRegressive modeling (RAR) for visual generation, which sets a new state-of-the-art performance on the image generation task while maintaining full compatibility with language modeling frameworks. The proposed RAR is simple: during a standard autoregressive training process with a next-token prediction objective, the input sequence-typically ordered in raster form-is randomly permuted into different factorization orders with a probability r, where r starts at 1 and linearly decays to 0 over the course of training. This annealing training strategy enables the model to learn to maximize the expected likelihood over all factorization orders and thus effectively improve the model's capability of modeling bidirectional contexts. Importantly, RAR preserves the integrity of the autoregressive modeling framework, ensuring full compatibility with language modeling while significantly improving performance in image generation. On the ImageNet-256 benchmark, RAR achieves an FID score of 1.48, not only surpassing prior state-of-the-art autoregressive image generators but also outperforming leading diffusion-based and masked transformer-based methods. Code and models will be made available at https://github.com/bytedance/1d-tokenizer
Recent large language models (LLMs) have excelled across a wide range of tasks, but their use in high-stakes and compute-limited settings has intensified the demand for interpretability and efficiency. We address this need by proposing Induction-head ngram models (Induction-Gram), a method that builds an efficient, interpretable LM by bolstering modern ngram models with a hand-engineered "induction head". This induction head uses a custom neural similarity metric to efficiently search the model's input context for potential next-word completions. This process enables Induction-Gram to provide ngram-level grounding for each generated token. Moreover, experiments show that this simple method significantly improves next-word prediction over baseline interpretable models (up to 26%p) and can be used to speed up LLM inference for large models through speculative decoding. We further study Induction-Gram in a natural-language neuroscience setting, where the goal is to predict the next fMRI response in a sequence. It again provides a significant improvement over interpretable models (20% relative increase in the correlation of predicted fMRI responses), potentially enabling deeper scientific investigation of language selectivity in the brain. The code is available at https://github.com/ejkim47/induction-gram.
The remarkable reasoning and code generation capabilities of large language models (LLMs) have spurred significant interest in applying LLMs to enable task automation in digital chip design. In particular, recent work has investigated early ideas of applying these models to formal verification (FV), an approach to verifying hardware implementations that can provide strong guarantees of confidence but demands significant amounts of human effort. While the value of LLM-driven automation is evident, our understanding of model performance, however, has been hindered by the lack of holistic evaluation. In response, we present FVEval, the first comprehensive benchmark and evaluation framework for characterizing LLM performance in tasks pertaining to FV. The benchmark consists of three sub-tasks that measure LLM capabilities at different levels: from the generation of SystemVerilog assertions (SVAs) given natural language descriptions to reasoning about the design RTL and suggesting assertions directly without additional human input. As test instances, we present both collections of expert-written verification collateral and methodologies to scalably generate synthetic examples aligned with industrial FV workflows. A wide range of existing LLMs, both proprietary and open-source, are evaluated against FVEval, based on which we investigate where today's LLMs stand and how we might further enable their application toward improving productivity in digital FV. Our benchmark and evaluation code is available at \url{https://github.com/NVlabs/FVEval}.
We present a simple way to merge masked language modeling with causal language modeling. This hybrid training objective results in a model that combines the strengths of both modeling paradigms within a single transformer stack: GPT-BERT can be transparently used like any standard causal or masked language model. We test the pretraining process that enables this flexible behavior on the BabyLM Challenge 2024. The results show that the hybrid pretraining outperforms masked-only or causal-only models. We openly release the models, training corpora and code.
Handling long-context inputs is crucial for large language models (LLMs) in tasks such as extended conversations, document summarization, and many-shot in-context learning. While recent approaches have extended the context windows of LLMs and employed perplexity (PPL) as a standard evaluation metric, PPL has proven unreliable for assessing long-context capabilities. The underlying cause of this limitation has remained unclear. In this work, we provide a comprehensive explanation for this issue. We find that PPL overlooks key tokens, which are essential for long-context understanding, by averaging across all tokens and thereby obscuring the true performance of models in long-context scenarios. To address this, we propose \textbf{LongPPL}, a novel metric that focuses on key tokens by employing a long-short context contrastive method to identify them. Our experiments demonstrate that LongPPL strongly correlates with performance on various long-context benchmarks (e.g., Pearson correlation of -0.96), significantly outperforming traditional PPL in predictive accuracy. Additionally, we introduce \textbf{LongCE} (Long-context Cross-Entropy) loss, a re-weighting strategy for fine-tuning that prioritizes key tokens, leading to consistent improvements across diverse benchmarks. In summary, these contributions offer deeper insights into the limitations of PPL and present effective solutions for accurately evaluating and enhancing the long-context capabilities of LLMs. Code is available at https://github.com/PKU-ML/LongPPL.
Human mobility prediction plays a critical role in applications such as disaster response, urban planning, and epidemic forecasting. Traditional methods often rely on designing crafted, domain-specific models, and typically focus on short-term predictions, which struggle to generalize across diverse urban environments. In this study, we introduce Llama-3-8B-Mob, a large language model fine-tuned with instruction tuning, for long-term citywide mobility prediction -- in a Q&A manner. We validate our approach using large-scale human mobility data from four metropolitan areas in Japan, focusing on predicting individual trajectories over the next 15 days. The results demonstrate that Llama-3-8B-Mob excels in modeling long-term human mobility -- surpassing the state-of-the-art on multiple prediction metrics. It also displays strong zero-shot generalization capabilities -- effectively generalizing to other cities even when fine-tuned only on limited samples from a single city. Source codes are available at https://github.com/TANGHULU6/Llama3-8B-Mob.
Spell-checkers are valuable tools that enhance communication by identifying misspelled words in written texts. Recent improvements in deep learning, and in particular in large language models, have opened new opportunities to improve traditional spell-checkers with new functionalities that not only assess spelling correctness but also the suitability of a word for a given context. In our work, we present and compare two new spell-checkers and evaluate them on synthetic, learner, and more general-domain Slovene datasets. The first spell-checker is a traditional, fast, word-based approach, based on a morphological lexicon with a significantly larger word list compared to existing spell-checkers. The second approach uses a language model trained on a large corpus with synthetically inserted errors. We present the training data construction strategies, which turn out to be a crucial component of neural spell-checkers. Further, the proposed neural model significantly outperforms all existing spell-checkers for Slovene in both precision and recall.
Ejection fraction (EF) of the left ventricle (LV) is considered as one of the most important measurements for diagnosing acute heart failure and can be estimated during cardiac ultrasound acquisition. While recent successes in deep learning research successfully estimate EF values, the proposed models often lack an explanation for the prediction. However, providing clear and intuitive explanations for clinical measurement predictions would increase the trust of cardiologists in these models. In this paper, we explore predicting EF measurements with Natural Language Explanation (NLE). We propose a model that in a single forward pass combines estimation of the LV contour over multiple frames, together with a set of modules and routines for computing various motion and shape attributes that are associated with ejection fraction. It then feeds the attributes into a large language model to generate text that helps to explain the network's outcome in a human-like manner. We provide experimental evaluation of our explanatory output, as well as EF prediction, and show that our model can provide EF comparable to state-of-the-art together with meaningful and accurate natural language explanation to the prediction. The project page can be found at https://github.com/guybenyosef/EchoNarrator .
Large Language Models (LLMs) have shown remarkable reasoning capabilities on complex tasks, but they still suffer from out-of-date knowledge, hallucinations, and opaque decision-making. In contrast, Knowledge Graphs (KGs) can provide explicit and editable knowledge for LLMs to alleviate these issues. Existing paradigm of KG-augmented LLM manually predefines the breadth of exploration space and requires flawless navigation in KGs. However, this paradigm cannot adaptively explore reasoning paths in KGs based on the question semantics and self-correct erroneous reasoning paths, resulting in a bottleneck in efficiency and effect. To address these limitations, we propose a novel self-correcting adaptive planning paradigm for KG-augmented LLM named Plan-on-Graph (PoG), which first decomposes the question into several sub-objectives and then repeats the process of adaptively exploring reasoning paths, updating memory, and reflecting on the need to self-correct erroneous reasoning paths until arriving at the answer. Specifically, three important mechanisms of Guidance, Memory, and Reflection are designed to work together, to guarantee the adaptive breadth of self-correcting planning for graph reasoning. Finally, extensive experiments on three real-world datasets demonstrate the effectiveness and efficiency of PoG.
Frequently updating Large Language Model (LLM)-based recommender systems to adapt to new user interests -- as done for traditional ones -- is impractical due to high training costs, even with acceleration methods. This work explores adapting to dynamic user interests without any model updates by leveraging In-Context Learning (ICL), which allows LLMs to learn new tasks from few-shot examples provided in the input. Using new-interest examples as the ICL few-shot examples, LLMs may learn real-time interest directly, avoiding the need for model updates. However, existing LLM-based recommenders often lose the in-context learning ability during recommendation tuning, while the original LLM's in-context learning lacks recommendation-specific focus. To address this, we propose RecICL, which customizes recommendation-specific in-context learning for real-time recommendations. RecICL organizes training examples in an in-context learning format, ensuring that in-context learning ability is preserved and aligned with the recommendation task during tuning. Extensive experiments demonstrate RecICL's effectiveness in delivering real-time recommendations without requiring model updates. Our code is available at https://github.com/ym689/rec_icl.
Studying protein mutations within amino acid sequences holds tremendous significance in life sciences. Protein language models (PLMs) have demonstrated strong capabilities in broad biological applications. However, due to architectural design and lack of supervision, PLMs model mutations implicitly with evolutionary plausibility, which is not satisfactory to serve as explainable and engineerable tools in real-world studies. To address these issues, we present MutaPLM, a unified framework for interpreting and navigating protein mutations with protein language models. MutaPLM introduces a protein delta network that captures explicit protein mutation representations within a unified feature space, and a transfer learning pipeline with a chain-of-thought (CoT) strategy to harvest protein mutation knowledge from biomedical texts. We also construct MutaDescribe, the first large-scale protein mutation dataset with rich textual annotations, which provides cross-modal supervision signals. Through comprehensive experiments, we demonstrate that MutaPLM excels at providing human-understandable explanations for mutational effects and prioritizing novel mutations with desirable properties. Our code, model, and data are open-sourced at https://github.com/PharMolix/MutaPLM.
Goal-oriented chatbots are essential for automating user tasks, such as booking flights or making restaurant reservations. A key component of these systems is Dialogue State Tracking (DST), which interprets user intent and maintains the dialogue state. However, existing DST methods often rely on fixed ontologies and manually compiled slot values, limiting their adaptability to open-domain dialogues. We propose a novel approach that leverages instruction tuning and advanced prompt strategies to enhance DST performance, without relying on any predefined ontologies. Our method enables Large Language Model (LLM) to infer dialogue states through carefully designed prompts and includes an anti-hallucination mechanism to ensure accurate tracking in diverse conversation contexts. Additionally, we employ a Variational Graph Auto-Encoder (VGAE) to model and predict subsequent user intent. Our approach achieved state-of-the-art with a JGA of 42.57% outperforming existing ontology-less DST models, and performed well in open-domain real-world conversations. This work presents a significant advancement in creating more adaptive and accurate goal-oriented chatbots.