Abstract:The rapid advancement of large language models (LLMs) has significantly advanced the capabilities of artificial intelligence across various domains. However, their massive scale and high computational costs render them unsuitable for direct deployment in resource-constrained edge environments. This creates a critical need for high-performance small models that can operate efficiently at the edge. Yet, after pre-training alone, these smaller models often fail to meet the performance requirements of complex tasks. To bridge this gap, we introduce a systematic post-training pipeline that efficiently enhances small model accuracy. Our post training pipeline consists of curriculum-based supervised fine-tuning (SFT) and offline on-policy knowledge distillation. The resulting instruction-tuned model achieves state-of-the-art performance among billion-parameter models, demonstrating strong generalization under strict hardware constraints while maintaining competitive accuracy across a variety of tasks. This work provides a practical and efficient solution for developing high-performance language models on Ascend edge devices.
Abstract:As LLMs are increasingly deployed as agents, agentic reasoning - the ability to combine tool use, especially search, and reasoning - becomes a critical skill. However, it is hard to disentangle agentic reasoning when evaluated in complex environments and tasks. Current agent benchmarks often mix agentic reasoning with challenging math reasoning, expert-level knowledge, and other advanced capabilities. To fill this gap, we build a novel benchmark, GSM-Agent, where an LLM agent is required to solve grade-school-level reasoning problems, but is only presented with the question in the prompt without the premises that contain the necessary information to solve the task, and needs to proactively collect that information using tools. Although the original tasks are grade-school math problems, we observe that even frontier models like GPT-5 only achieve 67% accuracy. To understand and analyze the agentic reasoning patterns, we propose the concept of agentic reasoning graph: cluster the environment's document embeddings into nodes, and map each tool call to its nearest node to build a reasoning path. Surprisingly, we identify that the ability to revisit a previously visited node, widely taken as a crucial pattern in static reasoning, is often missing for agentic reasoning for many models. Based on the insight, we propose a tool-augmented test-time scaling method to improve LLM's agentic reasoning performance by adding tools to encourage models to revisit. We expect our benchmark and the agentic reasoning framework to aid future studies of understanding and pushing the boundaries of agentic reasoning.
Abstract:Large language models (LLMs) can acquire new knowledge through fine-tuning, but this process exhibits a puzzling duality: models can generalize remarkably from new facts, yet are also prone to hallucinating incorrect information. However, the reasons for this phenomenon remain poorly understood. In this work, we argue that both behaviors stem from a single mechanism known as out-of-context reasoning (OCR): the ability to deduce implications by associating concepts, even those without a causal link. Our experiments across five prominent LLMs confirm that OCR indeed drives both generalization and hallucination, depending on whether the associated concepts are causally related. To build a rigorous theoretical understanding of this phenomenon, we then formalize OCR as a synthetic factual recall task. We empirically show that a one-layer single-head attention-only transformer with factorized output and value matrices can learn to solve this task, while a model with combined weights cannot, highlighting the crucial role of matrix factorization. Our theoretical analysis shows that the OCR capability can be attributed to the implicit bias of gradient descent, which favors solutions that minimize the nuclear norm of the combined output-value matrix. This mathematical structure explains why the model learns to associate facts and implications with high sample efficiency, regardless of whether the correlation is causal or merely spurious. Ultimately, our work provides a theoretical foundation for understanding the OCR phenomenon, offering a new lens for analyzing and mitigating undesirable behaviors from knowledge injection.
Abstract:Large language models (LLMs) are often used for infilling tasks, which involve predicting or generating missing information in a given text. These tasks typically require multiple interactions with similar context. To reduce the computation of repeated historical tokens, cross-request key-value (KV) cache reuse, a technique that stores and reuses intermediate computations, has become a crucial method in multi-round interactive services. However, in infilling tasks, the KV cache reuse is often hindered by the structure of the prompt format, which typically consists of a prefix and suffix relative to the insertion point. Specifically, the KV cache of the prefix or suffix part is frequently invalidated as the other part (suffix or prefix) is incrementally generated. To address the issue, we propose EFIM, a transformed prompt format of FIM to unleash the performance potential of KV cache reuse. Although the transformed prompt can solve the inefficiency, it exposes subtoken generation problems in current LLMs, where they have difficulty generating partial words accurately. Therefore, we introduce a fragment tokenization training method which splits text into multiple fragments before tokenization during data processing. Experiments on two representative LLMs show that LLM serving with EFIM can lower the latency by 52% and improve the throughput by 98% while maintaining the original infilling capability. EFIM's source code is publicly available at https://github.com/gty111/EFIM.
Abstract:Large Language Models (LLMs) show promise as data analysis agents, but existing benchmarks overlook the iterative nature of the field, where experts' decisions evolve with deeper insights of the dataset. To address this, we introduce IDA-Bench, a novel benchmark evaluating LLM agents in multi-round interactive scenarios. Derived from complex Kaggle notebooks, tasks are presented as sequential natural language instructions by an LLM-simulated user. Agent performance is judged by comparing its final numerical output to the human-derived baseline. Initial results show that even state-of-the-art coding agents (like Claude-3.7-thinking) succeed on < 50% of the tasks, highlighting limitations not evident in single-turn tests. This work underscores the need to improve LLMs' multi-round capabilities for building more reliable data analysis agents, highlighting the necessity of achieving a balance between instruction following and reasoning.
Abstract:We present Pangu Ultra, a Large Language Model (LLM) with 135 billion parameters and dense Transformer modules trained on Ascend Neural Processing Units (NPUs). Although the field of LLM has been witnessing unprecedented advances in pushing the scale and capability of LLM in recent years, training such a large-scale model still involves significant optimization and system challenges. To stabilize the training process, we propose depth-scaled sandwich normalization, which effectively eliminates loss spikes during the training process of deep models. We pre-train our model on 13.2 trillion diverse and high-quality tokens and further enhance its reasoning capabilities during post-training. To perform such large-scale training efficiently, we utilize 8,192 Ascend NPUs with a series of system optimizations. Evaluations on multiple diverse benchmarks indicate that Pangu Ultra significantly advances the state-of-the-art capabilities of dense LLMs such as Llama 405B and Mistral Large 2, and even achieves competitive results with DeepSeek-R1, whose sparse model structure contains much more parameters. Our exploration demonstrates that Ascend NPUs are capable of efficiently and effectively training dense models with more than 100 billion parameters. Our model and system will be available for our commercial customers.
Abstract:Handling long-context sequences efficiently remains a significant challenge in large language models (LLMs). Existing methods for token selection in sequence extrapolation either employ a permanent eviction strategy or select tokens by chunk, which may lead to the loss of critical information. We propose Efficient Selective Attention (ESA), a novel approach that extends context length by efficiently selecting the most critical tokens at the token level to compute attention. ESA reduces the computational complexity of token selection by compressing query and key vectors into lower-dimensional representations. We evaluate ESA on long sequence benchmarks with maximum lengths up to 256k using open-source LLMs with context lengths of 8k and 32k. ESA outperforms other selective attention methods, especially in tasks requiring the retrieval of multiple pieces of information, achieving comparable performance to full-attention extrapolation methods across various tasks, with superior results in certain tasks.
Abstract:"Socrates is human. All humans are mortal. Therefore, Socrates is mortal." This classical example demonstrates two-hop reasoning, where a conclusion logically follows from two connected premises. While transformer-based Large Language Models (LLMs) can make two-hop reasoning, they tend to collapse to random guessing when faced with distracting premises. To understand the underlying mechanism, we train a three-layer transformer on synthetic two-hop reasoning tasks. The training dynamics show two stages: a slow learning phase, where the 3-layer transformer performs random guessing like LLMs, followed by an abrupt phase transitions, where the 3-layer transformer suddenly reaches $100%$ accuracy. Through reverse engineering, we explain the inner mechanisms for how models learn to randomly guess between distractions initially, and how they learn to ignore distractions eventually. We further propose a three-parameter model that supports the causal claims for the mechanisms to the training dynamics of the transformer. Finally, experiments on LLMs suggest that the discovered mechanisms generalize across scales. Our methodologies provide new perspectives for scientific understandings of LLMs and our findings provide new insights into how reasoning emerges during training.
Abstract:Retrieval-augmented generation has gained significant attention due to its ability to integrate relevant external knowledge, enhancing the accuracy and reliability of the LLMs' responses. Most of the existing methods apply a dynamic multiple retrieval-generating process, to address multi-hop complex questions by decomposing them into sub-problems. However, these methods rely on an unidirectional forward reasoning paradigm, where errors from insufficient reasoning steps or inherent flaws in current retrieval systems are irreversible, potentially derailing the entire reasoning chain. For the first time, this work introduces Retroactive Retrieval-Augmented Generation (RetroRAG), a novel framework to build a retroactive reasoning paradigm. RetroRAG revises and updates the evidence, redirecting the reasoning chain to the correct direction. RetroRAG constructs an evidence-collation-discovery framework to search, generate, and refine credible evidence. It synthesizes inferential evidence related to the key entities in the question from the existing source knowledge and formulates search queries to uncover additional information. As new evidence is found, RetroRAG continually updates and organizes this information, enhancing its ability to locate further necessary evidence. Paired with an Answerer to generate and evaluate outputs, RetroRAG is capable of refining its reasoning process iteratively until a reliable answer is obtained. Empirical evaluations show that RetroRAG significantly outperforms existing methods.
Abstract:Practitioners have consistently observed three puzzling phenomena in transformer-based large language models (LLMs): attention sinks, value-state drains, and residual-state peaks, collectively referred to as extreme-token phenomena. These phenomena are characterized by certain so-called "sink tokens" receiving disproportionately high attention weights, exhibiting significantly smaller value states, and having much larger residual-state norms than those of other tokens. These extreme tokens give rise to various challenges in LLM inference, quantization, and interpretability. We elucidate the mechanisms behind extreme-token phenomena. First, we show that these phenomena arise in very simple architectures -- transformers with one to three layers -- trained on a toy model, the Bigram-Backcopy (BB) task. In this setting, we identify an active-dormant mechanism, where attention heads become sinks for specific input domains while remaining non-sinks for others. Our theoretical analysis of the training dynamics reveals that these phenomena are driven by a mutual reinforcement mechanism. Building on these insights, we propose strategies to mitigate extreme-token phenomena during pretraining, including replacing softmax with ReLU and Adam with SGD. Next, we extend our analysis to pretrained LLMs, including Llama and OLMo, showing that many attention heads exhibit a similar active-dormant mechanism as in the BB task, and that the mutual reinforcement mechanism also governs the emergence of extreme-token phenomena during LLM pretraining. Our results reveal that many of the static and dynamic properties of extreme-token phenomena predicted by the BB task align with observations in pretrained LLMs.