As the capabilities of large language models (LLMs) continue to expand, aligning these models with human values remains a significant challenge. Recent studies show that reasoning abilities contribute significantly to model safety, while integrating Mixture-of-Experts (MoE) architectures can further enhance alignment.In this work, we address a fundamental question:How to effectively incorporate reasoning abilitiesand MoE architectures into self-alignment processin LLMs?We propose Mixture of insighTful Experts (MoTE), a novel framework that synergistically combines reasoning chains and expert mixtures to improve self-alignments.From a data perspective, MoTE employs a structured reasoning chain comprising four key stages: Question Analysis, Answer Guidance, Safe Answer, and Safety Checking. This approach enhances safety through multi-step reasoning and proves effective even for smaller and less powerful LLMs (e.g., 7B models). From an architectural perspective, MoTE adopts a multi-LoRA framework with step-level routing, where each expert is dedicated to a specific reasoning step. This design eliminates the need for balance losses, ensures stable training, and supports adaptive inference lengths. Experimental results demonstrate that MoTE significantly improves model safety, jailbreak resistance, and over-refusal capabilities, achieving performance comparable to OpenAI’s state-of-the-art o1 model.

The attention mechanism is a fundamental component of the Transformer model, contributing to interactions among distinct tokens. In general, the attention scores are determined simply by the key-query products. However, this work’s occasional trial (combining DAPE and NoPE) of including additional MLPs on attention scores without position encoding indicates that the classical key-query multiplication may limit the performance of Transformers. In this work, we conceptualize attention as a feature map and apply the convolution operator (for neighboring attention scores across different heads) to mimic the processing methods in computer vision. Specifically, **the main contribution of this paper is identifying and interpreting the Transformer length extrapolation problem as a result of the limited expressiveness of the naive query and key dot product, and we successfully translate the length extrapolation issue into a well-understood feature map processing problem**, which is called Convolutional Data-Adaptive Position Encoding (CDAPE).The novel insight, which can be adapted to various attention-related models, reveals that the current Transformer architecture has the potential for further evolution. Extensive experiments demonstrate that treating attention as a feature map and applying convolution as a processing method significantly enhances Transformer performance.

The capacity of Large Language Models (LLMs) to comprehend and reason over long contexts is pivotal for advancements in diverse fields. Yet, they still stuggle with capturing long-distance dependencies within sequences to deeply understand semantics. To address this issue, we introduce Query-aware Inference for LLMs (Q-LLM), a system designed to process extensive sequences akin to human cognition. By focusing on memory data relevant to a given query, Q-LLM can accurately capture pertinent information within a fixed window size and provide precise answers to queries. It doesn’t require extra training and can be seamlessly integrated with any LLMs. Q-LLM using LLaMA3 (QuickLLaMA) can read Harry Potter within 30s and accurately answer the questions. On widely recognized benchmarks, Q-LLM improved by 7.17% compared to the current state-of-the-art on LLaMA3, and by 3.26% on Mistral on the ∞-bench. In the Needle-in-a-Haystack and BABILong task, Q-LLM improved upon the current SOTA by 7.0% and 6.1%. Our code is in https://github.com/dvlab-research/Q-LLM.

Despite the remarkable success of transformer-based large language models (LLMs) across various domains, understanding and enhancing their mathematical capabilities remains a significant challenge. In this paper, we conduct a rigorous theoretical analysis of LLMs’ mathematical abilities, with a specific focus on their arithmetic performances. We identify numerical precision as a key factor that influences their effectiveness in arithmetical tasks. Our results show that Transformers operating with low numerical precision fail to address arithmetic tasks, such as iterated addition and integer multiplication, unless the model size grows super-polynomially with respect to the input length. In contrast, Transformers with standard numerical precision can efficiently handle these tasks with significantly smaller model sizes. We further support our theoretical findings through empirical experiments that explore the impact of varying numerical precision on arithmetic tasks, providing valuable insights for improving the mathematical reasoning capabilities of LLMs.

Despite exceptional capabilities in knowledge-intensive tasks, Large Language Models (LLMs) face a critical gap in understanding how they internalize new knowledge, particularly how acquired knowledge becomes structurally embedded in their neural computations. We address this issue through the lens of knowledge circuit evolution, identifying computational subgraphs that facilitate knowledge storage and processing. Our systematic analysis of circuit evolution throughout continual pre-training reveals several key findings: (1) the acquisition of new knowledge is influenced by its relevance to pre-existing knowledge; (2) the evolution of knowledge circuits exhibits a distinct phase shift from formation to optimization; (3) the evolution of knowledge circuits follows a deep-to-shallow pattern. These insights not only advance our theoretical understanding of the mechanisms of new knowledge acquisition in LLMs, but also provide potential implications for improving continual pre-training strategies to enhance model performance.

Contrastive Language-Image Pre-training (CLIP) has become the standard for cross- modal image-text representation learning. Improving CLIP typically requires additional data and retraining with new loss functions, but these demands raise resource and time costs, limiting practical use. In this work, we introduce HELIP, a cost-effective strategy that improves CLIP models by exploiting challenging text-image pairs within existing datasets in continuous training. This eliminates the need for additional data or extensive retraining. Moreover, HELIP integrates effortlessly into current training pipelines with minimal code modifications, allowing for quick and seamless implementation. On comprehensive benchmarks, HELIP consistently boosts existing models. In particular, within just two epochs of training, it improves zero-shot classification accuracy on ImageNet for SLIP models pre-trained on CC3M, CC12M, and YFCC15M datasets by 3.05%, 4.47%, and 10.1% , respectively. In addition, on fine-grained classification datasets, HELIP improves the zero-shot performance of CLIP and SLIP by an average of 8.4% and 18.6%, and their linear probe performance by an average of 9.5% and 3.0%.

Humans can develop new theorems to explore broader and more complex mathematical results.While current generative language models (LMs) have achieved significant improvement in automatically proving theorems, their ability to generate new or reusable theorems is still under-explored. Without the new theorems, current LMs struggle to prove harder theorems that are distant from the given hypotheses with the exponentially growing search space.More advanced theorem proving is if an agent (for instance, a generative LM) can leverage its creativity to generate new but also reasonable theorems that properly substitute part of a proof and also be saved as reusable knowledge for future theorem proving.Therefore, this paper proposes an Automated Theorem Generation (ATG) benchmark that evaluates whether an agent can automatically generate valuable (and possibly brand new) theorems that are applicable for downstream theorem proving as reusable knowledge. Specifically, we construct the ATG benchmark by splitting the Metamath library into three sets: axioms, library, and problem based on their proving depth.We conduct extensive experiments to investigate whether current LMs can generate theorems in the library and benefit the problem theorems proving. The results demonstrate that high-quality ATG data facilitates models’ performances on downstream ATP. However, there is still room for current LMs to develop better ATG and generate more advanced and human-like theorems. We hope the new ATG challenge can shed some light on advanced complex theorem proving.

Self-Consistency samples diverse reasoning chains with answers and chooses the final answer by majority voting. It is based on forward reasoning and cannot further improve performance by sampling more reasoning chains when saturated. To further boost performance, we introduce backward reasoning to verify candidate answers. Specifically, for mathematical tasks, we mask a number in the question and ask the LLM to answer a backward question created by a simple template, i.e., to predict the masked number when a candidate answer is provided. Instead of using forward or backward reasoning alone, we propose **FOBAR** to combine **FO**rward and **BA**ckward **R**easoning for verification. Extensive experiments on six standard mathematical data sets and three LLMs show that FOBAR achieves state-of-the-art performance. In particular, FOBAR outperforms Self-Consistency, which uses forward reasoning alone, demonstrating that combining forward and backward reasoning is more accurate in verification. In addition, FOBAR achieves higher accuracy than existing verification methods, showing the effectiveness of the simple template used in backward reasoning and the proposed combination.

Recent advances in neural theorem-proving resort to large language models and tree searches. When proving a theorem, a language model advises single-step actions based on the current proving state and the tree search finds a sequence of correct steps using actions given by the language model. However, prior works often conduct constant computation efforts for each proving state while ignoring that the hard states often need more exploration than easy states. Moreover, they evaluate and guide the proof search solely depending on the current proof state instead of considering the whole proof trajectory as human reasoning does. Here, to accommodate general theorems, we propose a novel Dynamic-Tree Driven Theorem Solver (DT-Solver) by guiding the search procedure with state confidence and proof-level values. Specifically, DT-Solver introduces a dynamic-tree Monte-Carlo search algorithm, which dynamically allocates computing budgets for different state confidences, guided by a new proof-level value function to discover proof states that require substantial exploration. Experiments on two popular theorem-proving datasets, PISA and Mathlib, show significant performance gains by our DT-Solver over the state-of-the-art approaches, with a 6.65% improvement on average in terms of success rate. And especially under low computing resource settings (11.03% improvement on average).