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Deep Learning · Everything Else

Sunghyeon Woo, Jaeeun Kil, Hoseung Kim, Minsub Kim, Joonghoon Kim, Ahreum Seo, Sungjae Lee, Minjung Jo, Jiwon Ryu, baeseong park 等

Multi model inference, where multiple task-specialized models collaborate to solve complex real-world problems, has recently emerged as a prominent paradigm, particularly in the development of agentic AI systems. However, in such scenarios, each model must maintain its own Key-Value (KV) cache for the identical prompt, leading to explosive memory consumption. This explosive growth of KV caches forces LLM serving systems to evict previously stored caches, which in turn introduces significant recomputation overhead whenever the evicted caches are required again. Moreover, prefix caching is inherently infeasible across different models, forcing each model to recompute KV cache for the identical prompt, which leads to signficant overhead. To alleviate these issues, we propose Identical Cache Reuse (ICaRus), a novel architecture that allows multiple models to share identical KV caches across all layers. ICaRus is based on the key observation that a decoder-only Transformer can be conceptually decomposed into a logical encoder, which generates KV caches, and a logical decoder, which predicts output tokens from the KV caches. ICaRus fine-tunes only the logical decoder while freezing the logical encoder, enabling multiple models to share an identical KV cache. This eliminates cache memory explosion and unexpected evictions while also allowing cross-model reuse of KV caches for new input tokens, thereby removing redundant recomputation in multi model inference achieving both efficiency and scalability. Moreover, by incorporating lightweight adapters such as LoRA, ICaRus parallelizes KV cache generation and next-token prediction during decoding. ICaRus achieves comparable accuracy to task-specific fine-tuned model across a diverse set of tasks, while allowing multiple specialized models to fully share KV caches. ICaRus achieves up to $11.1\times$ lower P95 latency and $3.8\times$ higher throughput in multi agent scenarios with 8 different models, compared to prior multi model system.

Reinforcement Learning · Planning

Romain Froger, Pierre Andrews, Matteo Bettini, Amar Budhiraja, Ricardo Cabral, Virginie Do, Emilien Garreau, Jean-Baptiste Gaya, Hugo Laurençon, Maxime Lecanu 等

We introduce **Gaia2**, a benchmark for evaluating large language model agents in realistic, asynchronous environments. Unlike prior static or synchronous evaluations, Gaia2 introduces scenarios where environments evolve independently of agent actions, requiring agents to operate under temporal constraints, adapt to noisy and dynamic events, resolve ambiguity, and collaborate with other agents. Each scenario is paired with a write-action verifier, enabling fine-grained, action-level evaluation and making Gaia2 directly usable for reinforcement learning from verifiable rewards. Our evaluation of state-of-the-art proprietary and open-source models shows that no model dominates across capabilities: GPT-5 (high) reaches the strongest overall score of 42% pass@1 but fails on time-sensitive tasks, Claude-4 Sonnet trades accuracy and speed for cost, Kimi-K2 leads among open-source models with 21% pass@1. These results highlight fundamental trade-offs between reasoning, efficiency, robustness, and expose challenges in closing the “sim2real” gap. Gaia2 is built on a consumer environment with the open-source **Agents Research Environments** platform and designed to be easy to extend. By releasing Gaia2 alongside the foundational ARE framework, we aim to provide the community with a flexible infrastructure for developing, benchmarking, and training the next generation of practical agent systems.

General Machine Learning · Representation Learning

András Balogh, Márk Jelasity

Generative sequence models are typically trained on sample sequences from natural or formal languages. It is a crucial question whether—or to what extent—sample-based training is able to capture the true structure of these languages, often referred to as the "world model". Theoretical results indicate that we can hope for soundness at best, that is, generating valid sequences, but not necessarily all of them. However, it is still important to have practical tools that are able to verify whether a given sequence model is sound. In this study, we focus on chess, as it is a domain that provides enough complexity while having a simple rule-based world model. We propose adversarial sequence generation for verifying the soundness of the sequence model. Our adversaries generate valid sequences so as to force the sequence model to generate an invalid next move prediction. Apart from the falsification of soundness, this method is also suitable for a more fine-grained analysis of the failure modes and the effects of different choices during training. To demonstrate this, we propose a number of methods for adversarial sequence generation and evaluate the approach on a large set of chess models. We train models on random as well as high-quality chess games, using several training recipes. We find that none of the models are sound, but some training techniques and dataset choices are able to improve soundness remarkably. We also investigate the potential application of board state probes in both our training and attack methods. Our findings indicate that the extracted board states have no causal role in next token prediction in most of the models.

Theory · Learning Theory

Haoran Li, Jingfeng Wu, Vladimir Braverman

We study the statistical performance of a continual learning problem with two linear regression tasks in a well-specified random design setting. We consider a structural regularization algorithm that incorporates a generalized $\ell_2$-regularization tailored to the Hessian of the previous task for mitigating catastrophic forgetting. We establish upper and lower bounds on the joint excess risk for this algorithm. Our analysis reveals a fundamental trade-off between memory complexity and statistical efficiency, where memory complexity is measured by the number of vectors needed to define the structural regularization. Specifically, increasing the number of vectors in structural regularization leads to a worse memory complexity but an improved excess risk, and vice versa. Furthermore, our theory suggests that naive continual learning without regularization suffers from catastrophic forgetting, while structural regularization mitigates this issue. Notably, structural regularization achieves comparable performance to joint training with access to both tasks simultaneously. These results highlight the critical role of curvature-aware regularization for continual learning.

Applications · Genetics, Cell Biology, Health, etc

Ethan Baron, Alan Amin, Ruben Weitzman, Simon dOelsnitz, Debora Marks, Andrew Gordon Wilson

Many proteins useful in modern medicine or bioengineering are challenging to make in the lab, fuse with other proteins in cells, or deliver to tissues in the body because their sequences are too long. Shortening these sequences typically involves costly, time-consuming experimental campaigns. Ideally, we could instead use modern models of massive databases of sequences from nature to learn how to propose shrunken proteins that resemble sequences found in nature. Unfortunately, these models struggle to efficiently search the combinatorial space of all deletions, and are not trained with inductive biases to learn how to delete. To address this gap, we propose SCISOR, a novel discrete diffusion model that deletes letters from sequences to generate protein samples that resemble those found in nature. To do so, SCISOR trains a de-noiser to reverse a forward noising process that adds random insertions to natural sequences. As a generative model, SCISOR fits evolutionary sequence data competitively with previous large models. In evaluation, SCISOR achieves state-of-the-art predictions of the functional effects of deletions on ProteinGym. Finally, we use the SCISOR de-noiser to shrink long protein sequences, and show that its suggested deletions result in significantly more realistic proteins and more often preserve functional motifs than previous models of evolutionary sequences.

Carl Edwards, Chi Han, Gawon Lee, Thao Nguyen, Sara Szymkuć, Chetan Prasad, Bowen Jin, Jiawei Han, Ying Diao, Ge Liu 等

Despite their ability to understand chemical knowledge, large language models (LLMs) remain limited in their capacity to propose novel molecules with desired functions (e.g., drug-like properties). In addition, the molecules that LLMs propose can often be challenging to make, and are almost never compatible with automated synthesis approaches. To better enable the discovery of functional small molecules, LLMs need to learn a new molecular language that is more effective in predicting properties and inherently synced with automated synthesis technology. Current molecule LLMs are limited by representing molecules based on atoms. In this paper, we argue that just like tokenizing texts into meaning-bearing (sub-)word tokens instead of characters, molecules should be tokenized at the level of functional building blocks, i.e., parts of molecules that bring unique functions and serve as effective building blocks for real-world automated laboratory synthesis. This motivates us to propose mCLM, a modular Chemical-Language Model that comprises a bilingual language model that understands both natural language descriptions of functions and molecular blocks. mCLM front-loads synthesizability considerations while improving the predicted functions of molecules in a principled manner. Experiments on 430 FDA-approved drugs showed that mCLM is capable of significantly improving chemical functions critical to determining drug potentials. mCLM, with only 3B parameters, also achieves improvements in synthetic accessibility relative to 7 other leading generative AI methods including GPT-5. When tested on 122 out-of-distribution medicines using only building blocks/tokens that are compatible with automated modular synthesis, mCLM outperforms all baselines in property scores and synthetic accessibility. mCLM can also reason on multiple functions and iteratively self-improve to rescue drug candidates that failed late in clinical trials (“fallen angels”).

Optimization · Non-Convex

Peng Xu, Chun Ying Hou, Xiaohui Chen, Richard Zhang

Clustering is a hard discrete optimization problem. Nonconvex approaches such as low-rank semidefinite programming (SDP) have recently demonstrated promising statistical and local algorithmic guarantees for cluster recovery. Due to the combinatorial structure of the $K$-means clustering problem, current relaxation algorithms struggle to balance their constraint feasibility and objective optimality, presenting tremendous challenges in computing the second-order critical points with rigorous guarantees. In this paper, we provide a new formulation of the $K$-means problem as a smooth unconstrained optimization over a submanifold and characterize its Riemannian structures to allow it to be solved using a second-order cubic-regularized Riemannian Newton algorithm. By factorizing the $K$-means manifold into a product manifold, we show how each Newton subproblem can be solved in linear time. Our numerical experiments show that the proposed method converges significantly faster than the state-of-the-art first-order nonnegative low-rank factorization method, while achieving similarly optimal statistical accuracy.

Applications · Neuroscience, Cognitive Science

Jiawen Zheng, Haonan Jia, MING LI, Yuhui Zheng, Yufeng Zeng, Yang Gao, Chen Liang

Decoding visual representations from brain signals has attracted significant attention in both neuroscience and artificial intelligence. However, the degree to which brain signals truly encode visual information remains unclear. Current visual decoding approaches explore various brain–image alignment strategies, yet most emphasize high-level semantic features while neglecting pixel-level details, thereby limiting our understanding of the human visual system. In this paper, we propose a brain–image alignment strategy that leverages multiple pre-trained visual encoders with distinct inductive biases to capture hierarchical and multiscale visual representations, while employing a contrastive learning objective to achieve effective alignment between brain signals and visual embeddings. Furthermore, we introduce a Fusion Prior, which learns a stable mapping on large-scale visual data and subsequently matches brain features to this pre-trained prior, thereby enhancing distributional consistency across modalities. Extensive quantitative and qualitative experiments demonstrate that our method achieves a favorable balance between retrieval accuracy and reconstruction fidelity.

Social Aspects · Fairness, Equity, Justice and Safety

Chengxiao Wang, Isha Chaudhary, Qian Hu, Weitong Ruan, Rahul Gupta, Gagandeep Singh

Large Language Models (LLMs) can produce catastrophic responses in conversational settings that pose serious risks to public safety and security. Existing evaluations often fail to fully reveal these vulnerabilities because they rely on fixed attack prompt sequences, lack statistical guarantees, and do not scale to the vast space of multi-turn conversations. In this work, we propose C$^3$LLM, a novel, principled Certification framework for Catastrophic risks in multi-turn Conversation for LLMs that bounds the probability of an LLM generating catastrophic responses under multi-turn conversation distributions with statistical guarantees. We model multi-turn conversations as probability distributions over query sequences, represented by a Markov process on a query graph whose edges encode semantic similarity to capture realistic conversational flow, and quantify catastrophic risks using confidence intervals. We define several inexpensive and practical distributions—random node, graph path, and adaptive with rejection. Our results demonstrate that these distributions can reveal substantial catastrophic risks in frontier models, with certified lower bounds as high as 70\% for the worst model, highlighting the urgent need for improved safety training strategies in frontier LLMs.

Deep Learning · Generative Models and Autoencoders

Song Tang, Peihao Gong, Kunyu LI, Kai Guo, Boyu Wang, Mao Ye, Jianwei Dr. Zhang, Xiatian Zhu

Consistent text-to-image (T2I) generation seeks to produce identity-preserving images of the same subject across diverse scenes, yet it often fails due to a phenomenon called identity (ID) shift. Previous methods have tackled this issue, but typically rely on the unrealistic assumption of knowing all target scenes in advance. This paper reveals that a key source of ID shift is the native correlation between subject and scene context, called scene contextualization, which arises naturally as T2I models fit the training distribution of vast natural images. We formally prove the near-universality of this scene-subject correlation and derive theoretical bounds on its strength. On this basis, we propose a novel, efficient, training-free prompt embedding editing approach, called Scene De-Contextualization (SDeC), that imposes an inversion process of T2I’s built-in scene contextualization. Specifically, it identifies and suppresses the latent scene-subject correlation within the ID prompt’s embedding by quantifying SVD directional stability to re-weight the corresponding eigenvalues adaptively. Critically, SDeC allows for per-scene use (one prompt per scene) without requiring prior access to all target scenes. This makes it a highly flexible and general solution well-suited to real-world applications where such prior knowledge is often unavailable or varies over time. Experiments demonstrate that SDeC significantly enhances identity preservation while maintaining scene diversity.

Deep Learning · Algorithms

Idan Pipano, Shoham Sabach, Kavosh Asadi, Mohammad Ghavamzadeh

DPO and related algorithms align language models by directly optimizing the RLHF objective: find a policy that maximizes the Bradley-Terry reward while staying close to a reference policy through a KL divergence penalty. Previous work showed that this approach could be further generalized: the original problem remains tractable even if the KL divergence is replaced by a family of $f$-divergence with a convex generating function $f$. Our first contribution is to show that convexity of $f$ is not essential. Instead, we identify a more general condition, referred to as DPO-inducing, that precisely characterizes when the RLHF problem remains tractable. Our next contribution is to establish a second condition on $f$ that is necessary to prevent probability displacement, a known empirical phenomenon in which the probabilities of the winner and the loser responses approach zero. We refer to any $f$ that satisfies this condition as displacement-resistant. We finally focus on a specific DPO-inducing and displacement-resistant $f$, leading to our novel SquaredPO loss. Compared to DPO, this new loss offers stronger theoretical guarantees while performing competitively in practice.

Applications · Language, Speech and Dialog

Tom Kempton, Julia Rozanova, Parameswaran Kamalaruban, Maeve Madigan, Karolina Wresilo, Yoann Launay, David Sutton, Stuart Burrell

Large Language Models (LLMs) are a powerful tool for statistical text analysis, with derived sequences of next-token probability distributions offering a wealth of information. Extracting this signal typically relies on metrics such as perplexity, which do not adequately account for context; how one should interpret a given next-token probability is dependent on the number of reasonable choices encoded by the shape of the conditional distribution. In this work, we present DMAP, a mathematically grounded method that maps a text, via a language model, to a set of samples in the unit interval that jointly encode rank and probability information. This representation enables efficient, model-agnostic analysis and supports a range of applications. We illustrate its utility through three case studies: (i) validation of generation parameters to ensure data integrity, (ii) examining the role of probability curvature in machine-generated text detection, and (iii) a forensic analysis revealing statistical fingerprints left in downstream models that have been subject to post-training on synthetic data. Our results demonstrate that DMAP offers a unified statistical view of text that is simple to compute on consumer hardware, widely applicable, and provides a foundation for further research into text analysis with LLMs.

Deep Learning · Robustness

Charmaine Barker, Daniel Bethell, Simos Gerasimou

Reliability of deep learning models is critical for deployment in high-stakes applications, where out-of-distribution or adversarial inputs may lead to detrimental outcomes. Evidential Deep Learning, an efficient paradigm for uncertainty quantification, models predictions as Dirichlet distributions of a single forward pass. However, EDL is particularly vulnerable to adversarially perturbed inputs, making overconfident errors. Conflict-aware Evidential Deep Learning (C-EDL) is a lightweight post-hoc uncertainty quantification approach that mitigates these issues, enhancing adversarial and OOD robustness without retraining. C-EDL generates diverse, task-preserving transformations per input and quantifies representational disagreement to calibrate uncertainty estimates when needed. C-EDL's conflict-aware prediction adjustment improves detection of OOD and adversarial inputs, maintaining high in-distribution accuracy and low computational overhead. Our experimental evaluation shows that C-EDL significantly outperforms state-of-the-art EDL variants and competitive baselines, achieving substantial reductions in coverage for OOD data (up to $\approx55\%$) and adversarial data (up to $\approx90\%$), across a range of datasets, attack types, and uncertainty metrics.

Computer Vision · Vision Models & Multimodal

Jie Gui, HangTu, Wen Sha, Xiuquan Du

Vision-language models for medical image segmentation often produce masks that conflict with the accompanying text, especially under multi-site/multi-lesion descriptions. We trace this failure to two factors: (i) highly templated and repetitive clinical language causes one-to-one hard contrastive learning to yield numerous false negatives, weakening cross-modal alignment; and (ii) predominantly vision-driven, one-way cross-attention lacks a language-dominant, spatially aware pathway, hindering effective injection of textual semantics into the spatial visual domain. To this end, we propose Consistency-enhanced Two-stage Segmentation (C2Seg). In the pretraining stage, Cluster-aware Contrastive Learning uses a frozen strong baseline to construct an intra-batch text similarity matrix as soft labels, thereby alleviating false negative conflicts and producing more discriminative visual representations. In the fusion stage, we introduce a Bidirectional Complementary Attention Module, where each modality dominates attention along its own path, fostering deep interaction and structural consistency between visual and textual representations. In order to enhance the expressive power of multimodal features, we further adopt KAN-based Attention Gating. Without updating the language encoder, our approach significantly improves text-mask consistency and segmentation accuracy on four public medical imaging datasets.

Deep Learning · Generative Models and Autoencoders

Qipeng Zhan, Zhuoping Zhou, Zexuan Wang, Qi Long, Li Shen

Autoencoders are widely used for dimensionality reduction, based on the assumption that high-dimensional data lies on low-dimensional manifolds. Regularized autoencoders aim to preserve manifold geometry during dimensionality reduction, but existing approaches often suffer from non-injective mappings and overly rigid constraints that limit their effectiveness and robustness. In this work, we identify encoder non-injectivity as a core bottleneck that leads to poor convergence and distorted latent representations. To ensure robustness across data distributions, we formalize the concept of admissible regularization and provide sufficient conditions for its satisfaction. In this work, we propose the Bi-Lipschitz Autoencoder (BLAE), which introduces two key innovations: (1) an injective regularization scheme based on a separation criterion to eliminate pathological local minima, and (2) a bi-Lipschitz relaxation that preserves geometry and exhibits robustness to data distribution drift. Empirical results on diverse datasets show that BLAE consistently outperforms existing methods in preserving manifold structure while remaining resilient to sampling sparsity and distribution shifts.

Computer Vision · 3D Rendering & Reconstruction

Axel Barroso-Laguna, Tommaso Cavallari, Victor Prisacariu, Eric Brachmann

Visually localizing an image, i.e., estimating its camera pose, requires building a scene representation that serves as a visual map. The representation we choose has direct consequences towards the practicability of our system. Even when starting from mapping images with known camera poses, state-of-the-art approaches still require hours of mapping time in the worst case, and several minutes in the best. This work raises the question whether we can achieve competitive accuracy much faster. We introduce FastForward, a method that creates a map representation and relocalizes a query image on-the-fly in a single feed-forward pass. At the core, we represent multiple mapping images as a collection of features anchored in 3D space. FastForward utilizes these mapping features to predict image-to-scene correspondences for the query image, enabling the estimation of its camera pose. We couple FastForward with image retrieval and achieve state-of-the-art accuracy when compared to other approaches with minimal map preparation time. Furthermore, FastForward demonstrates robust generalization to unseen domains, including challenging large-scale outdoor environments.

Applications · Neuroscience, Cognitive Science

Chenda Duan, Yipeng Zhang, Sotaro Kanai, Yuanyi Ding, Atsuro Daida, Pengyue Yu, Tiancheng Zheng, Naoto Kuroda, Shaun Hussain, Eishi Asano 等

Epilepsy affects over 50 million people worldwide, and one-third of patients suffer drug-resistant seizures where surgery offers the best chance of seizure freedom. Accurate localization of the epileptogenic zone (EZ) relies on intracranial EEG (iEEG). Clinical workflows, however, remain constrained by labor-intensive manual review. At the same time, existing data-driven approaches are typically developed on single-center datasets that are inconsistent in format and metadata, lack standardized benchmarks, and rarely release pathological event annotations, creating barriers to reproducibility, cross-center validation, and clinical relevance. With extensive efforts to reconcile heterogeneous iEEG formats, metadata, and recordings across publicly available sources, we present $\textbf{Omni-iEEG}$, a large-scale, pre-surgical iEEG resource comprising $\textbf{302 patients}$ and $\textbf{178 hours}$ of high-resolution recordings. The dataset includes harmonized clinical metadata such as seizure onset zones, resections, and surgical outcomes, all validated by board-certified epileptologists. In addition, Omni-iEEG provides over 36K expert-validated annotations of pathological events, enabling robust biomarker studies. Omni-iEEG serves as a bridge between machine learning and epilepsy research. It defines clinically meaningful tasks with unified evaluation metrics grounded in clinical priors, enabling systematic evaluation of models in clinically relevant settings. Beyond benchmarking, we demonstrate the potential of end-to-end modeling on long iEEG segments and highlight the transferability of representations pretrained on non-neurophysiological domains. Together, these contributions establish Omni-iEEG as a foundation for reproducible, generalizable, and clinically translatable epilepsy research. The project page with dataset and code links is available at $\url{https://omni-ieeg.github.io/omni-ieeg/}$.

Applications · Genetics, Cell Biology, Health, etc

Changxi Chi, Jun Xia, Yufei Huang, Zhuoli Ouyang, Cheng Tan, Yunfan Liu, Jingbo Zhou, Chang Yu, Liangyu Yuan, Siyuan Li 等

Estimating single-cell responses across various perturbations facilitates the identification of key genes and enhances drug screening, significantly boosting experimental efficiency. However, single-cell sequencing is a destructive process, making it impossible to capture the same cell's phenotype before and after perturbation. Consequently, data collected under perturbed and unperturbed conditions are inherently unpaired, creating a critical yet unresolved problem in single-cell perturbation modeling. Moreover, the high dimensionality and sparsity of single-cell expression make direct modeling prone to focusing on zeros and neglecting meaningful patterns. To address these problems, we propose a new paradigm for single-cell perturbation modeling. Specifically, we leverage dual diffusion models to learn the control and perturbed distributions separately, and implicitly align them through a shared Gaussian latent space, without requiring explicit cell pairing. Furthermore, we introduce a sparsity masking strategy in which the mask model learns to predict zero-expressed genes, allowing the diffusion model to focus on capturing meaningful patterns among expressed genes and thereby preserving diversity in high-dimensional sparse data. We introduce \textbf{Doloris}, a generative framework that defines a new paradigm for modeling unpaired, high-dimensional, and sparse single-cell perturbation data. It leverages dual conditional diffusion models for separate learning of control and perturbed distributions, complemented by a sparsity masking strategy to enhance prediction of zero-valued genes. The results on publicly available datasets show that our model effectively captures the diversity of single-cell perturbations and achieves state-of-the-art performance. To facilitate reproducibility, we include the code in the supplementary materials. Code available at \url{https://github.com/ChangxiChi/Doloris}.

Theory · Learning Theory

Sílvia Casacuberta, Moritz Hardt

Conditional average treatment effect (CATE) estimation is the de facto gold standard for targeting a treatment to a heterogeneous population. The method estimates treatment effects up to an error $\epsilon > 0$ in each of $M$ different strata of the population, targeting individuals in decreasing order of estimated treatment effect until the budget runs out. In general, this method requires $O(M/\epsilon^2)$ samples. This is best possible if the goal is to estimate all treatment effects up to an $\epsilon$ error. In this work, we show how to achieve the same total treatment effect as CATE with only $O(M/\epsilon)$ samples for natural distributions of treatment effects. The key insight is that coarse estimates suffice for near-optimal treatment allocations. In addition, we show that budget flexibility can further reduce the sample complexity of allocation. Finally, we evaluate our algorithm on various real-world RCT datasets. In all cases, it finds nearly optimal treatment allocations with surprisingly few samples. Our work highlights the fundamental distinction between treatment effect estimation and treatment allocation: the latter requires far fewer samples.

Optimization · Everything Else

Akshay Chandrasekhar

This paper revisits the topic of rotation estimation through the lens of special unitary matrices. We begin by reformulating Wahba’s problem using $SU(2)$ to derive multiple solutions that yield linear constraints on corresponding quaternion parameters. We then explore applications of these constraints by formulating efficient methods for related problems. Finally, from this theoretical foundation, we propose two novel continuous representations for learning rotations in neural networks. Extensive experiments validate the effectiveness of the proposed methods.