Johns Hopkins University
Abstract:We provide a systematic recipe for translating ReLU approximation results to softmax attention mechanism. This recipe covers many common approximation targets. Importantly, it yields target-specific, economic resource bounds beyond universal approximation statements. We showcase the recipe on multiplication, reciprocal computation, and min/max primitives. These results provide new analytical tools for analyzing softmax transformer models.
Abstract:In drug discovery, molecular optimization aims to iteratively refine a lead compound to improve molecular properties while preserving structural similarity to the original molecule. However, each oracle evaluation is expensive, making sample efficiency a key challenge for existing methods under a limited oracle budget. Trial-and-error approaches require many oracle calls, while methods that leverage external knowledge tend to reuse familiar templates and struggle on challenging objectives. A key missing piece is long-term memory that can ground decisions and provide reusable insights for future optimizations. To address this, we present MolMem (\textbf{Mol}ecular optimization with \textbf{Mem}ory), a multi-turn agentic reinforcement learning (RL) framework with a dual-memory system. Specifically, MolMem uses Static Exemplar Memory to retrieve relevant exemplars for cold-start grounding, and Evolving Skill Memory to distill successful trajectories into reusable strategies. Built on this memory-augmented formulation, we train the policy with dense step-wise rewards, turning costly rollouts into long-term knowledge that improves future optimization. Extensive experiments show that MolMem achieves 90\% success on single-property tasks (1.5$\times$ over the best baseline) and 52\% on multi-property tasks using only 500 oracle calls. Our code is available at https://github.com/REAL-Lab-NU/MolMem.
Abstract:Vision--language models (VLMs) for radiology report generation (RRG) can produce long-form chest CT reports from volumetric scans and show strong potential to improve radiology workflow efficiency and consistency. However, existing methods face two key limitations: (i) training supervision is often coarse, aligning a whole CT volume with a full free-text report without explicit alignment for fine-grained attributes or pathology locations; and (ii) evaluation is typically holistic (lexical overlap, entity matching, or LLM-as-a-judge scores) and not diagnostic for spatial grounding. We propose \emph{Discriminative Cue-Prompting with Prompt Dropout (DCP-PD)}, a plug-and-play framework that distills fine-grained cues from free-text reports and uses them to guide report generation while mitigating shortcut reliance via prompt dropout. DCP-PD achieves state-of-the-art performance on CT-RATE, improving macro F1 from $=0.501$ to $0.603$ (20% relative), and substantially boosts out-of-distribution performance on Rad-ChestCT from F1 $=0.266$ to $0.503$ (89% relative). Finally, we introduce a hierarchical, location-aware question-set protocol (presence $\rightarrow$ laterality $\rightarrow$ lobe) to directly assess pathology-location grounding, showing that fine-grained spatial localization remains challenging even for models that score highly on current benchmarks.
Abstract:Large language models (LLMs) have shown remarkable performance in various domains, but they are constrained by massive computational and storage costs. Quantization, an effective technique for compressing models to fit resource-limited devices while preserving generative quality, encompasses two primary methods: quantization aware training (QAT) and post-training quantization (PTQ). QAT involves additional retraining or fine-tuning, thus inevitably resulting in high training cost and making it unsuitable for LLMs. Consequently, PTQ has become the research hotspot in recent quantization methods. However, existing PTQ methods usually rely on various complex computation procedures and suffer from considerable performance degradation under low-bit quantization settings. To alleviate the above issues, we propose a simple and effective post-training quantization paradigm for LLMs, named SEPTQ. Specifically, SEPTQ first calculates the importance score for each element in the weight matrix and determines the quantization locations in a static global manner. Then it utilizes the mask matrix which represents the important locations to quantize and update the associated weights column-by-column until the appropriate quantized weight matrix is obtained. Compared with previous methods, SEPTQ simplifies the post-training quantization procedure into only two steps, and considers the effectiveness and efficiency simultaneously. Experimental results on various datasets across a suite of models ranging from millions to billions in different quantization bit-levels demonstrate that SEPTQ significantly outperforms other strong baselines, especially in low-bit quantization scenarios.
Abstract:We introduce Discrete flow Matching policy Optimization (DoMinO), a unified framework for Reinforcement Learning (RL) fine-tuning Discrete Flow Matching (DFM) models under a broad class of policy gradient methods. Our key idea is to view the DFM sampling procedure as a multi-step Markov Decision Process. This perspective provides a simple and transparent reformulation of fine-tuning reward maximization as a robust RL objective. Consequently, it not only preserves the original DFM samplers but also avoids biased auxiliary estimators and likelihood surrogates used by many prior RL fine-tuning methods. To prevent policy collapse, we also introduce new total-variation regularizers to keep the fine-tuned distribution close to the pretrained one. Theoretically, we establish an upper bound on the discretization error of DoMinO and tractable upper bounds for the regularizers. Experimentally, we evaluate DoMinO on regulatory DNA sequence design. DoMinO achieves stronger predicted enhancer activity and better sequence naturalness than the previous best reward-driven baselines. The regularization further improves alignment with the natural sequence distribution while preserving strong functional performance. These results establish DoMinO as an useful framework for controllable discrete sequence generation.
Abstract:The increasing size and complexity of large language models (LLMs) have raised significant challenges in deployment efficiency, particularly under resource constraints. Post-training quantization (PTQ) has emerged as a practical solution by compressing models without requiring retraining. While existing methods focus on uniform quantization schemes for both weights and activations, they often suffer from substantial accuracy degradation due to the non-uniform nature of activation distributions. In this work, we revisit the activation quantization problem from a theoretical perspective grounded in the Lloyd-Max optimality conditions. We identify the core issue as the non-uniform distribution of activations within the quantization interval, which causes the optimal quantization point under the Lloyd-Max criterion to shift away from the midpoint of the interval. To address this issue, we propose a two-stage orthogonal transformation method, RUQuant. In the first stage, activations are divided into blocks. Each block is mapped to uniformly sampled target vectors using composite orthogonal matrices, which are constructed from Householder reflections and Givens rotations. In the second stage, a global Householder reflection is fine-tuned to further minimize quantization error using Transformer output discrepancies. Empirical results show that our method achieves near-optimal quantization performance without requiring model fine-tuning: RUQuant achieves 99.8% of full-precision accuracy with W6A6 and 97% with W4A4 quantization for a 13B LLM, within approximately one minute. A fine-tuned variant yields even higher accuracy, demonstrating the effectiveness and scalability of our approach.
Abstract:Robotic contact-rich and fine-grained manipulation remains a significant challenge due to complex interaction dynamics and the competing requirements of multi-timescale control. While current visual imitation learning methods excel at long-horizon planning, they often fail to perceive critical interaction cues like friction variations or incipient slip, and struggle to balance global task coherence with local reactive feedback. To address these challenges, we propose M2-ResiPolicy, a novel Master-Micro residual control architecture that synergizes high-level action guidance with low-level correction. The framework consists of a Master-Guidance Policy (MGP) operating at 10 Hz, which generates temporally consistent action chunks via a diffusion-based backbone and employs a tactile-intensity-driven adaptive fusion mechanism to dynamically modulate perceptual weights between vision and touch. Simultaneously, a high-frequency (60 Hz) Micro-Residual Corrector (MRC) utilizes a lightweight GRU to provide real-time action compensation based on TCP wrench feedback. This policy is further integrated with a force-mixed PBIC execution layer, effectively regulating contact forces to ensure interaction safety. Experiments across several demanding tasks including fragile object grasping and precision insertion, demonstrate that M2-ResiPolicy significantly outperforms standard Diffusion Policy (DP) and state-of-the-art Reactive Diffusion Policy (RDP), achieving a 93\% damage-free success rate in chip grasping and superior force regulation stability.
Abstract:Adapting Large Language Models (LLMs) to specialized domains requires high-quality instruction tuning datasets, which are expensive to create through human annotation. Existing data synthesis methods focus on general-purpose tasks and fail to capture domain-specific terminology and reasoning patterns. To address this, we introduce DS$^2$-Instruct, a zero-shot framework that generates domain-specific instruction datasets without human supervision. Our approach first generates task-informed keywords to ensure comprehensive domain coverage. It then creates diverse instructions by pairing these keywords with different cognitive levels from Bloom's Taxonomy. Finally, it uses self-consistency validation to ensure data quality. We apply this framework to generate datasets across seven challenging domains, such as mathematics, finance, and logical reasoning. Comprehensive evaluation demonstrates that models fine-tuned on our generated data achieve substantial improvements over existing data generation methods.
Abstract:State-of-the-art text-to-video (T2V) generators frequently violate physical laws despite high visual quality. We show this stems from insufficient physical constraints in prompts rather than model limitations: manually adding physics details reliably produces physically plausible videos, but requires expertise and does not scale. We present PhyPrompt, a two-stage reinforcement learning framework that automatically refines prompts for physically realistic generation. First, we fine-tune a large language model on a physics-focused Chain-of-Thought dataset to integrate principles like object motion and force interactions while preserving user intent. Second, we apply Group Relative Policy Optimization with a dynamic reward curriculum that initially prioritizes semantic fidelity, then progressively shifts toward physical commonsense. This curriculum achieves synergistic optimization: PhyPrompt-7B reaches 40.8\% joint success on VideoPhy2 (8.6pp gain), improving physical commonsense by 11pp (55.8\% to 66.8\%) while simultaneously increasing semantic adherence by 4.4pp (43.4\% to 47.8\%). Remarkably, our curriculum exceeds single-objective training on both metrics, demonstrating compositional prompt discovery beyond conventional multi-objective trade-offs. PhyPrompt outperforms GPT-4o (+3.8\% joint) and DeepSeek-V3 (+2.2\%, 100$\times$ larger) using only 7B parameters. The approach transfers zero-shot across diverse T2V architectures (Lavie, VideoCrafter2, CogVideoX-5B) with up to 16.8\% improvement, establishing that domain-specialized reinforcement learning with compositional curricula surpasses general-purpose scaling for physics-aware generation.
Abstract:Large language models (LLMs) have achieved remarkable success across diverse applications but remain vulnerable to jailbreak attacks, where attackers craft prompts that bypass safety alignment and elicit unsafe responses. Among existing approaches, optimization-based attacks have shown strong effectiveness, yet current methods often suffer from frequent refusals, pseudo-harmful outputs, and inefficient token-level updates. In this work, we propose TAO-Attack, a new optimization-based jailbreak method. TAO-Attack employs a two-stage loss function: the first stage suppresses refusals to ensure the model continues harmful prefixes, while the second stage penalizes pseudo-harmful outputs and encourages the model toward more harmful completions. In addition, we design a direction-priority token optimization (DPTO) strategy that improves efficiency by aligning candidates with the gradient direction before considering update magnitude. Extensive experiments on multiple LLMs demonstrate that TAO-Attack consistently outperforms state-of-the-art methods, achieving higher attack success rates and even reaching 100\% in certain scenarios.