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Measuring Scientific Capabilities of Language Models with a Systems Biology Dry Lab
Designing experiments and result interpretations are core scientific competencies, particularly in biology, where researchers perturb complex systems to uncover the underlying systems. Recent efforts to evaluate the scientific capabilities of large language models (LLMs) fail to test these competencies because wet-lab experimentation is prohibitively expensive: in expertise, time and equipment. We introduce SciGym, a first-in-class benchmark that assesses LLMs' iterative experiment design and analysis abilities in open-ended scientific discovery tasks. SciGym overcomes the challenge of wet-lab costs by running a dry lab of biological systems. These models, encoded in Systems Biology Markup Language, are efficient for generating simulated data, making them ideal testbeds for experimentation on realistically complex systems.
Agnostic Learning under Targeted Poisoning: Optimal Rates and the Role of Randomness
We study the problem of learning in the presence of an adversary that can corrupt an ฮท fraction of the training examples with the goal of causing failure on a specific test point. In the realizable setting, prior work established that the optimal error under such instance-targeted poisoning attacks scales as ฮ(dฮท), where d is the VC dimension of the hypothesis class [Hanneke, Karbasi, Mahmoody, Mehalel, and Moran (NeurIPS 2022)]. In this work, we resolve the corresponding question in the agnostic setting. We show that the optimal excess error is eฮ( dฮท), answering one of the main open problems left by Hanneke et al. To achieve this rate, it is necessary to use randomized learners: Hanneke et al. showed that deterministic learners can be forced to suffer error close to 1 even under small amounts of poisoning.
Generalized Category Discovery under Domain Shift: AFrequency Domain Perspective
Generalized Category Discovery (GCD) aims to leverage labeled samples from known categories to cluster unlabeled data that may include both known and unknown categories. While existing methods have achieved impressive results under standard conditions, their performance often deteriorates in the presence of distribution shifts. In this paper, we explore a more realistic task: DomainShifted Generalized Category Discovery (DS_GCD), where the unlabeled data includes not only unknown categories but also samples from unknown domains. To tackle this challenge, we propose a Frequency-guided Generalized Category Discovery framework (FREE) that enhances the model's ability to discover categories under distributional shift by leveraging frequency-domain information. Specifically, we first propose a frequency-based domain separation strategy that partitions samples into known and unknown domains by measuring their amplitude differences. We then propose two types of frequency-domain perturbation strategies: a cross-domain strategy, which adapts to new distributions by exchanging amplitude components across domains, and an intra-domain strategy, which enhances robustness to intra-domain variations within the unknown domain. Furthermore, we extend the self-supervised contrastive objective and semantic clustering loss to better guide the training process. Finally, we introduce a clustering-difficultyaware resampling technique to adaptively focus on harder-to-cluster categories, further enhancing model performance. Extensive experiments demonstrate that our method effectively mitigates the impact of distributional shifts across various benchmark datasets and achieves superior performance in discovering both known and unknown categories.
Noise-Robustness Through Noise: AFramework combining Asymmetric LoRA with Poisoning MoE
Current parameter-efficient fine-tuning methods for adapting pre-trained language models to downstream tasks are susceptible to interference from noisy data. Conventional noise-handling approaches either rely on laborious data pre-processing or employ model architecture modifications prone to error accumulation. In contrast to existing noise-process paradigms, we propose a noise-robust adaptation method via asymmetric LoRA poisoning experts (LoPE), a novel framework that enhances model robustness to noise only with generated noisy data. Drawing inspiration from the mixture-of-experts architecture, LoPE strategically integrates a dedicated poisoning expert in an asymmetric LoRA configuration. Through a two-stage paradigm, LoPE performs noise injection on the poisoning expert during finetuning to enhance its noise discrimination and processing ability. During inference, we selectively mask the dedicated poisoning expert to leverage purified knowledge acquired by normal experts for noise-robust output. Extensive experiments demonstrate that LoPE achieves strong performance and robustness purely through the low-cost noise injection, which completely eliminates the requirement of data cleaning.
Vid-SME: Membership Inference Attacks against Large Video Understanding Models
Multimodal large language models (MLLMs) demonstrate remarkable capabilities in handling complex multimodal tasks and are increasingly adopted in video understanding applications. However, their rapid advancement raises serious data privacy concerns, particularly given the potential inclusion of sensitive video content, such as personal recordings and surveillance footage, in their training datasets. Determining improperly used videos during training remains a critical and unresolved challenge. Despite considerable progress on membership inference attacks (MIAs) for text and image data in MLLMs, existing methods fail to generalize effectively to the video domain. These methods suffer from poor scalability as more frames are sampled and generally achieve negligible true positive rates at low false positive rates (TPR@Low FPR), mainly due to their failure to capture the inherent temporal variations of video frames and to account for model behavior differences as the number of frames varies. To address these challenges, we introduce Vid-SME (Video Sharma-Mittal Entropy), the first membership inference method tailored for video data used in video understanding LLMs (VULLMs). Vid-SME leverages the confidence of model output and integrates adaptive parameterization to compute Sharma-Mittal entropy (SME) for video inputs. By leveraging the SME difference between natural and temporally-reversed video frames, Vid-SME derives robust membership scores to determine whether a given video is part of the model's training set. Experiments on various self-trained and open-sourced VULLMs demonstrate the strong effectiveness of Vid-SME.
Enhanced Self-Distillation Framework for Efficient Spiking Neural Network Training
However, conventional training methods based on surrogate gradients and Backpropagation Through Time (BPTT) not only lag behind Artificial Neural Networks (ANNs) in performance, but also incur significant computational and memory overheads that grow linearly with the temporal dimension. To enable high-performance SNN training under limited computational resources, we propose an enhanced self-distillation framework, jointly optimized with rate-based backpropagation. Specifically, the firing rates of intermediate SNN layers are projected onto lightweight ANN branches, and high-quality knowledge generated by the model itself is used to optimize substructures through the ANN pathways. Unlike traditional self-distillation paradigms, we observe that low-quality self-generated knowledge may hinder convergence. To address this, we decouple the teacher signal into reliable and unreliable components, ensuring that only reliable knowledge is used to guide the optimization of the model. Extensive experiments on CIFAR-10, CIFAR-100, CIFAR10-DVS, and ImageNet demonstrate that our method reduces training complexity while achieving high-performance SNN training.
REN: Fast and Efficient Region Encodings from Patch-Based Image Encoders
We introduce the Region Encoder Network (REN), a fast and effective model for generating region-based image representations using point prompts. Recent methods combine class-agnostic segmenters (e.g., SAM) with patch-based image encoders (e.g., DINO) to produce compact and effective region representations, but they suffer from high computational cost due to the segmentation step. REN bypasses this bottleneck using a lightweight module that directly generates region tokens, enabling 60 faster token generation with 35 less memory, while also improving token quality. It uses a few cross-attention blocks that take point prompts as queries and features from a patch-based image encoder as keys and values to produce region tokens that correspond to the prompted objects. We train REN with three popular encoders--DINO, DINOv2, and OpenCLIP--and show that it can be extended to other encoders without dedicated training. We evaluate REN on semantic segmentation and retrieval tasks, where it consistently outperforms the original encoders in both performance and compactness, and matches or exceeds SAMbased region methods while being significantly faster. Notably, REN achieves state-of-the-art results on the challenging Ego4DVQ2D benchmark and outperforms proprietary LMMs on Visual Haystacks' single-needle challenge. The code and pretrained models are available at https://github.com/savya08/ren.
Scientists propose radical new theory of consciousness - and claim it doesn't depend on flesh and blood
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MS-BART: Unified Modeling of Mass Spectra and Molecules for Structure Elucidation
Mass spectrometry (MS) plays a critical role in molecular identification, significantly advancing scientific discovery. However, structure elucidation from MS data remains challenging due to the scarcity of annotated spectra. While largescale pretraining has proven effective in addressing data scarcity in other domains, applying this paradigm to mass spectrometry is hindered by the complexity and heterogeneity of raw spectral signals. To address this, we propose MS-BART, a unified modeling framework that maps mass spectra and molecular structures into a shared token vocabulary, enabling cross-modal learning through large-scale pretraining on reliably computed fingerprint-molecule datasets. Multi-task pretraining objectives further enhance MS-BART's generalization by jointly optimizing denoising and translation task. The pretrained model is subsequently transferred to experimental spectra through finetuning on fingerprint predictions generated with MIST, a pre-trained spectral inference model, thereby enhancing robustness to real-world spectral variability. While finetuning alleviates the distributional difference, MS-BART still suffers molecular hallucination and requires further alignment. We therefore introduce a chemical feedback mechanism that guides the model toward generating molecules closer to the reference structure. Extensive evaluations demonstrate that MS-BART achieves SOTA performance across 5/12 key metrics on MassSpecGym and NPLIB1 and is faster by one order of magnitude than competing diffusion-based methods, while comprehensive ablation studies systematically validate the model's effectiveness and robustness.
Synergy Between the Strong and the Weak: Spiking Neural Networks are Inherently Self-Distillers
Brain-inspired spiking neural networks (SNNs) promise to be a low-power alternative to computationally intensive artificial neural networks (ANNs), although performance gaps persist. Recent studies have improved the performance of SNNs through knowledge distillation, but rely on large teacher models or introduce additional training overhead. In this paper, we show that SNNs can be naturally deconstructed into multiple submodels for efficient self-distillation. We treat each timestep instance of the SNN as a submodel and evaluate its output confidence, thus efficiently identifying the strong and the weak. Based on this strong and weak relationship, we propose two efficient self-distillation schemes: (1) Strong2Weak: During training, the stronger "teacher" guides the weaker "student", effectively improving overall performance.