Large Language Model
Leveraging robust optimization for llm alignment under distribution shifts
Preference alignment methods are increasingly critical for steering large language models (LLMs) to generate outputs consistent with human values. While recent approaches often rely on synthetic data generated by LLMs for scalability and cost-efficiency reasons, this reliance can introduce distributional shifts that undermine the nuanced representation of human preferences needed for desirable outputs. In this paper, we propose a novel distribution-aware optimization framework that improves preference alignment despite such shifts. Our approach first leverages well-learned classifiers to assign a calibration value to each training sample, quantifying its alignment with the target human-preferred distribution. These values are then incorporated into a robust optimization objective that minimizes the worst-case loss over regions of the data space most relevant to human preferences. By explicitly focusing optimization on the target distribution, our approach mitigates the impact of distributional mismatch and improves the generation of responses that better reflect intended values.
DeltaFormer: Unlock the state space of Transformer
In recent years, large language models with Transformer architecture as the core have made breakthrough progress in many fields. At the same time, there are also some weaknesses in the large language model that have prompted people to reflect, among which the most fundamental one is the reflection on the Transformer architecture. The Transformer architecture has high parallelism and can fully utilize the computing power of GPUs, thus replacing models such as LSTM in the past few years. However, high parallelism is not a free lunch, as it fundamentally limits the performance of models. Especially, the problems that logarithmic precision Transformer architecture can solve are strictly limited to the $TC^0$.
Transforming Generic Coder LLMs to Effective Binary Code Embedding Models for Similarity Detection
Cybersecurity and software research have crossed paths with modern deep learning research for a few years. The power of large language models (LLMs) in particular has intrigued us to apply them to understanding binary code. In this paper, we investigate some of the many ways LLMs can be applied to binary code similarity detection, as it is a significantly more difficult task compared to source code similarity detection due to the sparsity of information and less meaningful syntax. It also has great practical implications, such as vulnerability and malware detection. We find that pretrained LLMs are mostly capable of detecting similar binary code, even with a zero-shot setting. Our main contributions and findings are to provide several supervised fine-tuning methods that, when combined, significantly surpass zero-shot LLMs and state-of-the-art binary code similarity detection methods.
LoRASuite: Efficient LoRA Adaptation Across Large Language Model Upgrades
As Large Language Models (LLMs) are frequently updated, LoRA weights trained on earlier versions quickly become obsolete. The conventional practice of retraining LoRA weights from scratch on the latest model is costly, time-consuming, and environmentally detrimental, particularly as the diversity of LLMs and downstream tasks expands. This motivates a critical question: How can we efficiently leverage existing LoRA weights to adapt to newer model versions? To address this, we propose LoRASuite, a modular approach tailored specifically to various types of LLM updates. First, we compute a transfer matrix utilizing known parameters from both old and new LLMs.
MindForge: Empowering Embodied Agents with Theory of Mind for Lifelong Cultural Learning
Embodied agents powered by large language models (LLMs), such as Voyager, promise open-ended competence in worlds such as Minecraft. However, when powered by open-weight LLMs they still falter on elementary tasks after domain-specific fine-tuning. We propose MindForge, a generative-agent framework for cultural lifelong learning through explicit perspective taking. We introduce three key innovations: (1) a structured theory of mind representation linking percepts, beliefs, desires, and actions; (2) natural inter-agent communication; and (3) a multi-component memory system. Following the cultural learning framework, we test MindForge in both instructive and collaborative settings within Minecraft. In an instructive setting with GPT-4, MindForge agents powered by open-weight LLMs significantly outperform their Voyager counterparts in basic tasks yielding $3\times$ more tech-tree milestones and collecting $2.3\times$ more unique items than the Voyager baseline. Furthermore, in fully collaborative settings, we find that the performance of two underachieving agents improves with more communication rounds, echoing the Condorcet Jury Theorem. MindForge agents demonstrate sophisticated behaviors, including expert-novice knowledge transfer, collaborative problem solving, and adaptation to out-of-distribution tasks through accumulated cultural experiences.
AutoRedTeamer: Autonomous Red Teaming with Lifelong Attack Integration
As large language models (LLMs) become increasingly capable, security and safety evaluation are crucial. While current red teaming approaches have made strides in assessing LLM vulnerabilities, they often rely heavily on human input and lack comprehensive coverage of emerging attack vectors. This paper introduces AutoRedTeamer, a novel framework for fully automated, end-to-end red teaming against LLMs. AutoRedTeamer combines a multi-agent architecture with a memory-guided attack selection mechanism to enable continuous discovery and integration of new attack vectors. The dual-agent framework consists of a red teaming agent that can operate from high-level risk categories alone to generate and execute test cases, and a strategy proposer agent that autonomously discovers and implements new attacks by analyzing recent research. This modular design allows AutoRedTeamer to adapt to emerging threats while maintaining strong performance on existing attack vectors. We demonstrate AutoRedTeamer's effectiveness across diverse evaluation settings, achieving 20% higher attack success rates on HarmBench against Llama-3.1-70B
Understanding and Mitigating Numerical Sources of Nondeterminism in LLM Inference
Large Language Models (LLMs) are now integral across various domains and have demonstrated impressive performance. Progress, however, rests on the premise that benchmark scores are both accurate and reproducible. We demonstrate that the reproducibility of LLM performance is fragile: changing system configuration, such as evaluation batch size, GPU count, and GPU version, can introduce significant differences in the generated responses. This issue is especially pronounced in reasoning models, where minor rounding differences in early tokens can cascade into divergent chains of thought, ultimately affecting accuracy. For instance, under bfloat16 precision with greedy decoding, a reasoning model like DeepSeek-R1-Distill-Qwen-7B can exhibit up to 9\% variation in accuracy and 9,000 tokens difference in response length due to differences in GPU count, type, and evaluation batch size.
LLM Meets Diffusion: A Hybrid Framework for Crystal Material Generation
Recent advances in generative modeling have shown significant promise in designing novel periodic crystal structures. Existing approaches typically rely on either large language models (LLMs) or equivariant denoising models, each with complementary strengths: LLMs excel at handling discrete atomic types but often struggle with continuous features such as atomic positions and lattice parameters, while denoising models are effective at modeling continuous variables but encounter difficulties in generating accurate atomic compositions. To bridge this gap, we propose CrysLLMGen, a hybrid framework that integrates an LLM with a diffusion model to leverage their complementary strengths for crystal material generation. During sampling, CrysLLMGen first employs a fine-tuned LLM to produce an intermediate representation of atom types, atomic coordinates, and lattice structure. While retaining the predicted atom types, it passes the atomic coordinates and lattice structure to a pre-trained equivariant diffusion model for refinement. Our framework outperforms state-of-the-art generative models across several benchmark tasks and datasets. Specifically, CrysLLMGen not only achieves a balanced performance in terms of structural and compositional validity but also generates more stable and novel materials compared to LLM-based and denoising-based models Furthermore, CrysLLMGen exhibits strong conditional generation capabilities, effectively producing materials that satisfy user-defined constraints.
Soft Thinking: Unlocking the Reasoning Potential of LLMs in Continuous Concept Space
Human cognition typically involves thinking through abstract, fluid concepts rather than strictly using discrete linguistic tokens. Current Large Language Models (LLMs), however, are constrained to reasoning within the boundaries of human language, processing discrete token embeddings that represent fixed points in semantic space. This discrete constraint restricts the expressive power and upper potential of such reasoning models, often causing incomplete exploration of reasoning paths, as standard Chain-of-Thought (CoT) methods rely on sampling one token per step. In this work, we introduce Soft Thinking, a training-free method that emulates human-like ``soft'' reasoning by generating abstract concept tokens in a continuous concept space. These concept tokens are created by the probability-weighted mixture of token embeddings, which span the continuous concept space, enabling smooth transitions and richer representations that transcend traditional discrete boundaries. In essence, each generated concept token encapsulates multiple meanings from related discrete tokens, implicitly exploring various reasoning paths to converge effectively toward the correct answer. Empirical evaluations on diverse mathematical and coding benchmarks consistently demonstrate the effectiveness and efficiency of Soft Thinking, improving pass@1 accuracy by up to 2.48 points while simultaneously reducing token usage by up to 22.4\% compared to standard CoT. Qualitative analysis further reveals that Soft Thinking outputs remain highly interpretable and readable, highlighting the potential of Soft Thinking to break the inherent limits of discrete language-based reasoning.
Principled Fine-tuning of LLMs from User-Edits: A Medley of Preference, Supervision, and Reward
We study how to fine-tune LLMs using user-edit deployment data consisting of a set of context, an agent's response, and user edits. This deployment data is naturally generated by users in applications such as LLMs-based writing assistants and coding agents. The origin of user edits makes it a desired source for adapting and personalizing of LLMs. In this setup, there emerges a unification of various feedback types namely preferences, supervised labels, and cost that are typically studied separately in the literature. In this paper, we initiate the theoretical investigation of learning from user edits.