Abstract:Vision-language models (VLMs), despite their extraordinary zero-shot capabilities, are vulnerable to distribution shifts. Test-time adaptation (TTA) emerges as a predominant strategy to adapt VLMs to unlabeled test data on the fly. However, existing TTA methods heavily rely on zero-shot predictions as pseudo-labels for self-training, which can be unreliable under distribution shifts and misguide adaptation due to two fundamental limitations. First (Modality Gap), distribution shifts induce gaps between visual and textual modalities, making cross-modal relations inaccurate. Second (Visual Nuisance), visual embeddings encode rich but task-irrelevant noise that often overwhelms task-specific semantics under distribution shifts. To address these limitations, we propose SubTTA, which aligns the semantic subspaces of both modalities to enhance zero-shot predictions to better guide the TTA process. To bridge the modality gap, SubTTA extracts the principal subspaces of both modalities and aligns the visual manifold to the textual semantic anchor by minimizing their chordal distance. To eliminate visual nuisance, SubTTA projects the aligned visual features onto the task-specific textual subspace, which filters out task-irrelevant noise by constraining visual embeddings within the valid semantic span, and standard TTA is further performed on the purified space to refine the decision boundaries. Extensive experiments on various benchmarks and VLM architectures demonstrate the effectiveness of SubTTA, yielding an average improvement of 2.24% over state-of-the-art TTA methods.
Abstract:Large language models (LLMs) exhibit complementary strengths arising from differences in pretraining data, model architectures, and decoding behaviors. Inference-time ensembling provides a practical way to combine these capabilities without retraining. However, existing ensemble approaches suffer from fundamental limitations. Most rely on fixed fusion granularity, which lacks the flexibility required for mid-generation adaptation and fails to adapt to different generation characteristics across tasks. To address these challenges, we propose AdaFuse, an adaptive ensemble decoding framework that dynamically selects semantically appropriate fusion units during generation. Rather than committing to a fixed granularity, AdaFuse adjusts fusion behavior on the fly based on the decoding context, with words serving as basic building blocks for alignment. To be specific, we introduce an uncertainty-based criterion to decide whether to apply ensembling at each decoding step. Under confident decoding states, the model continues generation directly. In less certain states, AdaFuse invokes a diversity-aware scaling strategy to explore alternative candidate continuations and inform ensemble decisions. This design establishes a synergistic interaction between adaptive ensembling and test-time scaling, where ensemble decisions guide targeted exploration, and the resulting diversity in turn strengthens ensemble quality. Experiments on open-domain question answering, arithmetic reasoning, and machine translation demonstrate that AdaFuse consistently outperforms strong ensemble baselines, achieving an average relative improvement of 6.88%. The code is available at https://github.com/CCM0111/AdaFuse.
Abstract:Long-term memory is a critical capability for multimodal large language model (MLLM) agents, particularly in conversational settings where information accumulates and evolves over time. However, existing benchmarks either evaluate multi-session memory in text-only conversations or assess multimodal understanding within localized contexts, failing to evaluate how multimodal memory is preserved, organized, and evolved across long-term conversational trajectories. Thus, we introduce Mem-Gallery, a new benchmark for evaluating multimodal long-term conversational memory in MLLM agents. Mem-Gallery features high-quality multi-session conversations grounded in both visual and textual information, with long interaction horizons and rich multimodal dependencies. Building on this dataset, we propose a systematic evaluation framework that assesses key memory capabilities along three functional dimensions: memory extraction and test-time adaptation, memory reasoning, and memory knowledge management. Extensive benchmarking across thirteen memory systems reveals several key findings, highlighting the necessity of explicit multimodal information retention and memory organization, the persistent limitations in memory reasoning and knowledge management, as well as the efficiency bottleneck of current models.
Abstract:Agentic reinforcement learning has advanced large language models (LLMs) to reason through long chain-of-thought trajectories while interleaving external tool use. Existing approaches assume a fixed inventory of tools, limiting LLM agents' adaptability to new or evolving toolsets. We present AutoTool, a framework that equips LLM agents with dynamic tool-selection capabilities throughout their reasoning trajectories. We first construct a 200k dataset with explicit tool-selection rationales across 1,000+ tools and 100+ tasks spanning mathematics, science, code generation, and multimodal reasoning. Building on this data foundation, AutoTool employs a dual-phase optimization pipeline: (i) supervised and RL-based trajectory stabilization for coherent reasoning, and (ii) KL-regularized Plackett-Luce ranking to refine consistent multi-step tool selection. Across ten diverse benchmarks, we train two base models, Qwen3-8B and Qwen2.5-VL-7B, with AutoTool. With fewer parameters, AutoTool consistently outperforms advanced LLM agents and tool-integration methods, yielding average gains of 6.4% in math & science reasoning, 4.5% in search-based QA, 7.7% in code generation, and 6.9% in multimodal understanding. In addition, AutoTool exhibits stronger generalization by dynamically leveraging unseen tools from evolving toolsets during inference.
Abstract:Pretrained VLMs exhibit strong zero-shot classification capabilities, but their predictions degrade significantly under common image corruptions. To improve robustness, many test-time adaptation (TTA) methods adopt positive data augmentation (PDA), which generates multiple views of each test sample to reduce prediction variance. However, these methods suffer from two key limitations. First, it introduces considerable computational overhead due to the large number of augmentations required per image. Second, it fails to mitigate prediction bias, where the model tends to predict certain classes disproportionately under corruption, as PDA operates on corrupted inputs and typically does not remove the corruption itself. To address these challenges, we propose Panda, a novel TTA method based on negative data augmentation (NDA). Unlike positive augmentations that preserve object semantics, Panda generates negative augmentations by disrupting semantic content. It divides images into patches and randomly assembles them from a shared patch pool. These negatively augmented images retain corruption-specific features while discarding object-relevant signals. We then subtract the mean feature of these negative samples from the original image feature, effectively suppressing corruption-related components while preserving class-relevant information. This mitigates prediction bias under distribution shifts. Panda allows augmentation to be shared across samples within a batch, resulting in minimal computational overhead. Panda can be seamlessly integrated into existing test-time adaptation frameworks and substantially improve their robustness. Our experiments indicate that Panda delivers superior performance compared to PDA methods, and a wide range of TTA methods exhibit significantly enhanced performance when integrated with Panda. Our code is available at https://github.com/ruxideng/Panda .
Abstract:Structured pruning of large language models (LLMs) offers substantial efficiency improvements by removing entire hidden units, yet current approaches often suffer from significant performance degradation, particularly in zero-shot settings, and necessitate costly recovery techniques such as supervised fine-tuning (SFT) or adapter insertion. To address these critical shortcomings, we introduce NIRVANA, a novel pruning method explicitly designed to balance immediate zero-shot accuracy preservation with robust fine-tuning capability. Leveraging a first-order saliency criterion derived from the Neural Tangent Kernel under Adam optimization dynamics, NIRVANA provides a theoretically grounded pruning strategy that respects essential model training behaviors. To further address the unique challenges posed by structured pruning, NIRVANA incorporates an adaptive sparsity allocation mechanism across layers and modules (attention vs. MLP), which adjusts pruning intensity between modules in a globally balanced manner. Additionally, to mitigate the high sensitivity of pruning decisions to calibration data quality, we propose a simple yet effective KL divergence-based calibration data selection strategy, ensuring more reliable and task-agnostic pruning outcomes. Comprehensive experiments conducted on Llama3, Qwen, and T5 models demonstrate that NIRVANA outperforms existing structured pruning methods under equivalent sparsity constraints, providing a theoretically sound and practical approach to LLM compression. The code is available at https://github.com/iDEA-iSAIL-Lab-UIUC/NIRVANA.
Abstract:Over the past decade, advances in generative modeling, such as generative adversarial networks, masked autoencoders, and diffusion models, have significantly transformed biological research and discovery, enabling breakthroughs in molecule design, protein generation, drug discovery, and beyond. At the same time, biological applications have served as valuable testbeds for evaluating the capabilities of generative models. Recently, flow matching has emerged as a powerful and efficient alternative to diffusion-based generative modeling, with growing interest in its application to problems in biology and life sciences. This paper presents the first comprehensive survey of recent developments in flow matching and its applications in biological domains. We begin by systematically reviewing the foundations and variants of flow matching, and then categorize its applications into three major areas: biological sequence modeling, molecule generation and design, and peptide and protein generation. For each, we provide an in-depth review of recent progress. We also summarize commonly used datasets and software tools, and conclude with a discussion of potential future directions. The corresponding curated resources are available at https://github.com/Violet24K/Awesome-Flow-Matching-Meets-Biology.




Abstract:Process Reward Models (PRMs) have recently emerged as a powerful framework for supervising intermediate reasoning steps in large language models (LLMs). Previous PRMs are primarily trained on model final output responses and struggle to evaluate intermediate thinking trajectories robustly, especially in the emerging setting of trajectory-response outputs generated by frontier reasoning models like Deepseek-R1. In this work, we introduce ReasonFlux-PRM, a novel trajectory-aware PRM explicitly designed to evaluate the trajectory-response type of reasoning traces. ReasonFlux-PRM incorporates both step-level and trajectory-level supervision, enabling fine-grained reward assignment aligned with structured chain-of-thought data. We adapt ReasonFlux-PRM to support reward supervision under both offline and online settings, including (i) selecting high-quality model distillation data for downstream supervised fine-tuning of smaller models, (ii) providing dense process-level rewards for policy optimization during reinforcement learning, and (iii) enabling reward-guided Best-of-N test-time scaling. Empirical results on challenging downstream benchmarks such as AIME, MATH500, and GPQA-Diamond demonstrate that ReasonFlux-PRM-7B selects higher quality data than strong PRMs (e.g., Qwen2.5-Math-PRM-72B) and human-curated baselines. Furthermore, our derived ReasonFlux-PRM-7B yields consistent performance improvements, achieving average gains of 12.1% in supervised fine-tuning, 4.5% in reinforcement learning, and 6.3% in test-time scaling. We also release our efficient ReasonFlux-PRM-1.5B for resource-constrained applications and edge deployment. Projects: https://github.com/Gen-Verse/ReasonFlux
Abstract:Accurate predictions rely on the expressiveness power of graph deep learning frameworks like graph neural networks and graph transformers, where a positional encoding mechanism has become much more indispensable in recent state-of-the-art works to record the canonical position information. However, the current positional encoding is limited in three aspects: (1) most positional encoding methods use pre-defined, and fixed functions, which are inadequate to adapt to the complex attributed graphs; (2) a few pioneering works proposed the learnable positional encoding but are still limited to the structural information, not considering the real-world time-evolving topological and feature information; (3) most positional encoding methods are equipped with transformers' attention mechanism to fully leverage their capabilities, where the dense or relational attention is often unaffordable on large-scale structured data. Hence, we aim to develop Learnable Spatial-Temporal Positional Encoding in an effective and efficient manner and propose a simple temporal link prediction model named L-STEP. Briefly, for L-STEP, we (1) prove the proposed positional learning scheme can preserve the graph property from the spatial-temporal spectral viewpoint, (2) verify that MLPs can fully exploit the expressiveness and reach transformers' performance on that encoding, (3) change different initial positional encoding inputs to show robustness, (4) analyze the theoretical complexity and obtain less empirical running time than SOTA, and (5) demonstrate its temporal link prediction out-performance on 13 classic datasets and with 10 algorithms in both transductive and inductive settings using 3 different sampling strategies. Also, L-STEP obtains the leading performance in the newest large-scale TGB benchmark. Our code is available at https://github.com/kthrn22/L-STEP.
Abstract:Existing safety assurance research has primarily focused on training-phase alignment to instill safe behaviors into LLMs. However, recent studies have exposed these methods' susceptibility to diverse jailbreak attacks. Concurrently, inference scaling has significantly advanced LLM reasoning capabilities but remains unexplored in the context of safety assurance. Addressing this gap, our work pioneers inference scaling for robust and effective LLM safety against emerging threats. We reveal that conventional inference scaling techniques, despite their success in reasoning tasks, perform poorly in safety contexts, even falling short of basic approaches like Best-of-N Sampling. We attribute this inefficiency to a newly identified challenge, the exploration--efficiency dilemma, arising from the high computational overhead associated with frequent process reward model (PRM) evaluations. To overcome this dilemma, we propose SAFFRON, a novel inference scaling paradigm tailored explicitly for safety assurance. Central to our approach is the introduction of a multifurcation reward model (MRM) that significantly reduces the required number of reward model evaluations. To operationalize this paradigm, we further propose: (i) a partial supervision training objective for MRM, (ii) a conservative exploration constraint to prevent out-of-distribution explorations, and (iii) a Trie-based key--value caching strategy that facilitates cache sharing across sequences during tree search. Extensive experiments validate the effectiveness of our method. Additionally, we publicly release our trained multifurcation reward model (Saffron-1) and the accompanying token-level safety reward dataset (Safety4M) to accelerate future research in LLM safety. Our code, model, and data are publicly available at https://github.com/q-rz/saffron , and our project homepage is at https://q-rz.github.io/p/saffron .