Daily Papers

Implicit Chain-of-Thought (CoT) reduces the inference cost of large language models by internalizing the explicit rationales. However, existing approaches typically lack alignment with explicit rationales and adaptivity to example complexity. In this work, we propose CIRF (\underline{Chain-of-thoughts Into Reusable Functional units}), an implicit CoT framework that performs reasoning as a dynamic sequence of discrete functional tokens. CIRF assigns a functional token to each semantically coherent reasoning unit in explicit CoT traces. The model is then fine-tuned to autoregressively generate functional tokens and their optional results, followed by the final answer. This design aligns latent reasoning with a sequence of functional units, facilitating parallel training, explicit rationale alignment, and adaptive reasoning. Extensive experiments on mathematical, symbolic, and commonsense reasoning benchmarks show that CIRF provides a favorable accuracy-latency trade-off compared with state-of-the-art implicit CoT methods. Further analyses demonstrate that CIRF constructs distinct, interpretable functional tokens, leading to consistent performance improvements.

Synthetic data generation has become a cornerstone for advancing large language models. However, the lack of the quantitative analysis for error tolerance became a critical bottleneck. Consequently, current filtering strategies fluctuate between two extremes: they are either overly aggressive, risking the exclusion of potentially valuable samples, or overly permissive, failing to eliminate erroneous samples effectively. To bridge this gap, this paper introduces Atomic Tree Operation Modeling (ATOM), a framework that decomposes data into functional units (f(x)rightarrow y). ATOM distinguishes benign Operand x perturbations from fatal Operator f perturbations. The former are needlessly discarded by aggressive filtering, while the latter slip through permissive filtering. Our experiments reveal a double dissociation: models are robust to operand perturbations but collapse under operator perturbations. By prioritizing operator over aggressive operand precision, our ATOM-synthesized data outperforms rigorous baselines (e.g., +3.1% gain over LIMA), suggesting that operator diversity matters more than operand precision. Our code is available at https://github.com/Lut-hub/ATOM.

The issue of hallucinations in large language models (LLMs) remains a critical barrier to the adoption of AI in enterprise and other high-stakes applications. Despite advancements in retrieval-augmented generation (RAG) systems, current state-of-the-art methods fail to achieve more than 80% accuracy in generating faithful and factually correct outputs, even when provided with relevant and accurate context. In this work, we introduce Acurai, a novel systematic approach that achieves 100% hallucination-free responses in LLMs by reformatting queries and context data prior to input. Leveraging a deep understanding of LLM internal representations, the importance of noun-phrase dominance, and the role of discrete functional units (DFUs), Acurai ensures alignment between input context and generated output. We validate this method using the RAGTruth corpus, demonstrating its ability to eliminate 100% hallucinations for both GPT-4 and GPT-3.5 Turbo. Acurai sets a new standard for achieving consistent, accurate, and faithful AI responses, marking a significant step forward in the development of trustworthy AI systems.

Attention, as a core layer of the ubiquitous Transformer architecture, is the bottleneck for large language models and long-context applications. While FlashAttention-3 optimized attention for Hopper GPUs through asynchronous execution and warp specialization, it primarily targets the H100 architecture. The AI industry has rapidly transitioned to deploying Blackwell-based systems such as the B200 and GB200, which exhibit fundamentally different performance characteristics due to asymmetric hardware scaling: tensor core throughput doubles while other functional units (shared memory bandwidth, exponential units) scale more slowly or remain unchanged. We develop several techniques to address these shifting bottlenecks on Blackwell GPUs: (1) redesigned pipelines that exploit fully asynchronous MMA operations and larger tile sizes, (2) software-emulated exponential and conditional softmax rescaling that reduces non-matmul operations, and (3) leveraging tensor memory and the 2-CTA MMA mode to reduce shared memory traffic and atomic adds in the backward pass. We demonstrate that our method, FlashAttention-4, achieves up to 1.3times speedup over cuDNN 9.13 and 2.7times over Triton on B200 GPUs with BF16, reaching up to 1613 TFLOPs/s (71% utilization). Beyond algorithmic innovations, we implement FlashAttention-4 entirely in CuTe-DSL embedded in Python, achieving 20-30times faster compile times compared to traditional C++ template-based approaches while maintaining full expressivity.

Large language models (LLMs) exhibit remarkable problem-solving abilities, but struggle with complex tasks due to static internal knowledge. Retrieval-Augmented Generation (RAG) enhances access to external information, yet remains limited in multi-hop reasoning and strategic search due to rigid workflows. Recent advancements in agentic deep research empower LLMs to autonomously reason, search, and synthesize information. However, current approaches relying on outcome-based reinforcement learning (RL) face critical issues such as conflicting gradients and reward sparsity, limiting performance gains and training efficiency. To address these, we first propose Atomic Thought, a novel LLM thinking paradigm that decomposes reasoning into fine-grained functional units. These units are supervised by Reasoning Reward Models (RRMs), which provide Atomic Thought Rewards (ATR) for fine-grained guidance. Building on this, we propose Atom-Searcher, a novel RL framework for agentic deep research that integrates Atomic Thought and ATR. Atom-Searcher uses a curriculum-inspired reward schedule, prioritizing process-level ATR early and transitioning to outcome rewards, accelerating convergence on effective reasoning paths. Experiments on seven benchmarks show consistent improvements over the state-of-the-art. Key advantages include: (1) Atom-Searcher scales computation at test-time. (2) Atomic Thought provides supervision anchors for RRMs, bridging deep research tasks and RRMs. (3) Atom-Searcher exhibits more interpretable, human-like reasoning patterns.

Language models have advanced sequence analysis, yet DNA foundation models often lag behind task-specific methods for unclear reasons. We present AntigenLM, a generative DNA language model pretrained on influenza genomes with intact, aligned functional units. This structure-aware pretraining enables AntigenLM to capture evolutionary constraints and generalize across tasks. Fine-tuned on time-series hemagglutinin (HA) and neuraminidase (NA) sequences, AntigenLM accurately forecasts future antigenic variants across regions and subtypes, including those unseen during training, outperforming phylogenetic and evolution-based models. It also achieves near-perfect subtype classification. Ablation studies show that disrupting genomic structure through fragmentation or shuffling severely degrades performance, revealing the importance of preserving functional-unit integrity in DNA language modeling. AntigenLM thus provides both a powerful framework for antigen evolution prediction and a general principle for building biologically grounded DNA foundation models.

The increasing usage of Large Language Models (LLMs) has resulted in a surging demand for planet-scale serving systems, where tens of thousands of GPUs continuously serve hundreds of millions of users. Consequently, throughput (under reasonable latency constraints) has emerged as a key metric that determines serving systems' performance. To boost throughput, various methods of inter-device parallelism (e.g., data, tensor, pipeline) have been explored. However, existing methods do not consider overlapping the utilization of different resources within a single device, leading to underutilization and sub-optimal performance. We propose NanoFlow, a novel serving framework that exploits intra-device parallelism, which overlaps the usage of resources including compute, memory, and network within a single device through operation co-scheduling. To exploit intra-device parallelism, NanoFlow introduces two key innovations: First, NanoFlow splits requests into nano-batches at the granularity of operations, which breaks the dependency of sequential operations in LLM inference and enables overlapping; then, to get benefit from overlapping, NanoFlow uses an operation-level pipeline with execution unit scheduling, which partitions the device's functional units and simultaneously executes different operations in each unit. NanoFlow automates the pipeline setup using a parameter search algorithm, which enables easily porting NanoFlow to different models. We implement NanoFlow on NVIDIA GPUs and evaluate end-to-end serving throughput on several popular models such as LLaMA-2-70B, Mixtral 8x7B, LLaMA-3-8B, etc.. With practical workloads, NanoFlow provides 1.91x throughput boost compared to state-of-the-art serving systems achieving 59% to 72% of optimal throughput across ported models.

Neuroscience employs diverse neuroimaging techniques, each offering distinct insights into brain activity, from electrophysiological recordings such as EEG, which have high temporal resolution, to hemodynamic modalities such as fMRI, which have increased spatial precision. However, integrating these heterogeneous data sources remains a challenge, which limits a comprehensive understanding of brain function. We present the Spatiotemporal Alignment of Multimodal Brain Activity (SAMBA) framework, which bridges the spatial and temporal resolution gaps across modalities by learning a unified latent space free of modality-specific biases. SAMBA introduces a novel attention-based wavelet decomposition for spectral filtering of electrophysiological recordings, graph attention networks to model functional connectivity between functional brain units, and recurrent layers to capture temporal autocorrelations in brain signal. We show that the training of SAMBA, aside from achieving translation, also learns a rich representation of brain information processing. We showcase this classify external stimuli driving brain activity from the representation learned in hidden layers of SAMBA, paving the way for broad downstream applications in neuroscience research and clinical contexts.

Tokens serve as the basic units of representation in DNA language models (DNALMs), yet their design remains underexplored. Unlike natural language, DNA lacks inherent token boundaries or predefined compositional rules, making tokenization a fundamental modeling decision rather than a naturally specified one. While existing approaches like byte-pair encoding (BPE) excel at capturing token structures that reflect human-generated linguistic regularities, DNA is organized by biological function and evolutionary constraint rather than linguistic convention. We argue that DNA tokenization should prioritize functional sequence patterns like regulatory motifs-short, recurring segments under evolutionary constraint and typically preserved across species. We incorporate evolutionary information directly into the tokenization process through EvoLen, a tokenizer that combines evolutionary stratification with length-aware decoding to better preserve motif-scale functional sequence units. EvoLen uses cross-species evolutionary signals to group DNA sequences, trains separate BPE tokenizers on each group, merges the resulting vocabularies via a rule prioritizing preserved patterns, and applies length-aware decoding with dynamic programming. Through controlled experiments, EvoLen improves the preservation of functional sequence patterns, differentiation across genomic contexts, and alignment with evolutionary constraint, while matching or outperforming standard BPE across diverse DNALM benchmarks. These results demonstrate that tokenization introduces a critical inductive bias and that incorporating evolutionary information yields more biologically meaningful and interpretable sequence representations.

Several ongoing international efforts are developing methods of localizing single cells within organs or mapping the entire human body at the single cell level, including the Chan Zuckerberg Initiative's Human Cell Atlas (HCA), and the Knut and Allice Wallenberg Foundation's Human Protein Atlas (HPA), and the National Institutes of Health's Human BioMolecular Atlas Program (HuBMAP). Their goals are to understand cell specialization, interactions, spatial organization in their natural context, and ultimately the function of every cell within the body. In the same way that the Human Genome Project had to assemble sequence data from different people to construct a complete sequence, multiple centers around the world are collecting tissue specimens from a diverse population that varies in age, race, sex, and body size. A challenge will be combining these heterogeneous tissue samples into a 3D reference map that will enable multiscale, multidimensional Google Maps-like exploration of the human body. Key to making alignment of tissue samples work is identifying and using a coordinate system called a Common Coordinate Framework (CCF), which defines the positions, or "addresses", in a reference body, from whole organs down to functional tissue units and individual cells. In this perspective, we examine the concept of a CCF based on the vasculature and describe why it would be an attractive choice for mapping the human body.

Large language models (LLMs) can reliably distinguish grammatical from ungrammatical sentences, but how grammatical knowledge is represented within the models remains an open question. We investigate whether different syntactic phenomena recruit shared or distinct components in LLMs. Using a functional localization approach inspired by cognitive neuroscience, we identify the LLM units most responsive to 67 English syntactic phenomena in seven open-weight models. These units are consistently recruited across sentences containing the phenomena and causally support the models' syntactic performance. Critically, different types of syntactic agreement (e.g., subject-verb, anaphor, determiner-noun) recruit overlapping sets of units, suggesting that agreement constitutes a meaningful functional category for LLMs. This pattern holds in English, Russian, and Chinese; and further, in a cross-lingual analysis of 57 diverse languages, structurally more similar languages share more units for subject-verb agreement. Taken together, these findings reveal that syntactic agreement-a critical marker of syntactic dependencies-constitutes a meaningful category within LLMs' representational spaces.

Despite their widespread success, the application of deep neural networks to functional data remains scarce today. The infinite dimensionality of functional data means standard learning algorithms can be applied only after appropriate dimension reduction, typically achieved via basis expansions. Currently, these bases are chosen a priori without the information for the task at hand and thus may not be effective for the designated task. We instead propose to adaptively learn these bases in an end-to-end fashion. We introduce neural networks that employ a new Basis Layer whose hidden units are each basis functions themselves implemented as a micro neural network. Our architecture learns to apply parsimonious dimension reduction to functional inputs that focuses only on information relevant to the target rather than irrelevant variation in the input function. Across numerous classification/regression tasks with functional data, our method empirically outperforms other types of neural networks, and we prove that our approach is statistically consistent with low generalization error. Code is available at: https://github.com/jwyyy/AdaFNN.

Large language models (LLMs) exhibit remarkable capabilities on not just language tasks, but also various tasks that are not linguistic in nature, such as logical reasoning and social inference. In the human brain, neuroscience has identified a core language system that selectively and causally supports language processing. We here ask whether similar specialization for language emerges in LLMs. We identify language-selective units within 18 popular LLMs, using the same localization approach that is used in neuroscience. We then establish the causal role of these units by demonstrating that ablating LLM language-selective units -- but not random units -- leads to drastic deficits in language tasks. Correspondingly, language-selective LLM units are more aligned to brain recordings from the human language system than random units. Finally, we investigate whether our localization method extends to other cognitive domains: while we find specialized networks in some LLMs for reasoning and social capabilities, there are substantial differences among models. These findings provide functional and causal evidence for specialization in large language models, and highlight parallels with the functional organization in the brain.

To meet the ever-increasing demand for computational efficiency, Neural Processing Units (NPUs) have become critical in modern AI infrastructure. However, unlocking their full potential requires developing high-performance compute kernels using vendor-specific Domain-Specific Languages (DSLs), a task that demands deep hardware expertise and is labor-intensive. While Large Language Models (LLMs) have shown promise in general code generation, they struggle with the strict constraints and scarcity of training data in the NPU domain. Our preliminary study reveals that state-of-the-art general-purpose LLMs fail to generate functional complex kernels for Ascend NPUs, yielding a near-zero success rate. To address these challenges, we propose AscendKernelGen, a generation-evaluation integrated framework for NPU kernel development. We introduce Ascend-CoT, a high-quality dataset incorporating chain-of-thought reasoning derived from real-world kernel implementations, and KernelGen-LM, a domain-adaptive model trained via supervised fine-tuning and reinforcement learning with execution feedback. Furthermore, we design NPUKernelBench, a comprehensive benchmark for assessing compilation, correctness, and performance across varying complexity levels. Experimental results demonstrate that our approach significantly bridges the gap between general LLMs and hardware-specific coding. Specifically, the compilation success rate on complex Level-2 kernels improves from 0% to 95.5% (Pass@10), while functional correctness achieves 64.3% compared to the baseline's complete failure. These results highlight the critical role of domain-specific reasoning and rigorous evaluation in automating accelerator-aware code generation.

While Mechanistic Interpretability has identified interpretable circuits in LLMs, their causal origins in training data remain elusive. We introduce Mechanistic Data Attribution (MDA), a scalable framework that employs Influence Functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention--removing or augmenting a small fraction of high-influence samples--significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model's in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.

Neurons in the brain are spatially organized such that neighbors on tissue often exhibit similar response profiles. In the human language system, experimental studies have observed clusters for syntactic and semantic categories, but the mechanisms underlying this functional organization remain unclear. Here, building on work from the vision literature, we develop TopoLM, a transformer language model with an explicit two-dimensional spatial representation of model units. By combining a next-token prediction objective with a spatial smoothness loss, representations in this model assemble into clusters that correspond to semantically interpretable groupings of text and closely match the functional organization in the brain's language system. TopoLM successfully predicts the emergence of the spatio-functional organization of a cortical language system as well as the organization of functional clusters selective for fine-grained linguistic features empirically observed in human cortex. Our results suggest that the functional organization of the human language system is driven by a unified spatial objective, and provide a functionally and spatially aligned model of language processing in the brain.

Partially inspired by features of computation in visual cortex, deep neural networks compute hierarchical representations of their inputs. While these networks have been highly successful in machine learning, it remains unclear to what extent they can aid our understanding of cortical function. Several groups have developed metrics that provide a quantitative comparison between representations computed by networks and representations measured in cortex. At the same time, neuroscience is well into an unprecedented phase of large-scale data collection, as evidenced by projects such as the Allen Brain Observatory. Despite the magnitude of these efforts, in a given experiment only a fraction of units are recorded, limiting the information available about the cortical representation. Moreover, only a finite number of stimuli can be shown to an animal over the course of a realistic experiment. These limitations raise the question of how and whether metrics that compare representations of deep networks are meaningful on these datasets. Here, we empirically quantify the capabilities and limitations of these metrics due to limited image presentations and neuron samples. We find that the comparison procedure is robust to different choices of stimuli set and the level of subsampling that one might expect in a large-scale brain survey with thousands of neurons. Using these results, we compare the representations measured in the Allen Brain Observatory in response to natural image presentations to deep neural network. We show that the visual cortical areas are relatively high order representations (in that they map to deeper layers of convolutional neural networks). Furthermore, we see evidence of a broad, more parallel organization rather than a sequential hierarchy, with the primary area VISp(V1) being lower order relative to the other areas.

Current techniques of neuroimaging, including electrical devices, are either of low spatiotemporal resolution or invasive, impeding multiscale monitoring of brain activity at both single cell and network levels. Overcoming this issue is of great importance to assess brain's computational ability and for neurorehabilitation projects that require real-time monitoring of neurons and concomitant networks activities. Currently, that information could be extracted from functional MRI when combined with mathematical models. Novel methods enabling quantitative and long-lasting recording at both single cell and network levels will allow to correlate the MRI data with intracortical activity at single cell level, and to refine those models. Here, we report the fabrication and validation of ultra-thin, optically transparent and flexible intracortical microelectrode arrays for combining extracellular multi-unit and fMRI recordings. The sensing devices are compatible with large-scale manufacturing, and demonstrate both fMRI transparency at 4.7 T, and high electrical performance, and thus appears as a promising candidate for simultaneous multiscale neurodynamic measurements.

We characterise the dynamics of neuronal activity, in terms of field theory, using neural units placed on a 2D-lattice modelling the cortical surface. The electrical activity of neuronal units was analysed with the aim of deriving a neural field model with a simple functional form that still able to predict or reproduce empirical findings. Each neural unit was modelled using a neural mass and the accompanying field theory was derived in the continuum limit. The field theory comprised coupled (real) Klein-Gordon fields, where predictions of the model fall within the range of experimental findings. These predictions included the frequency spectrum of electric activity measured from the cortex, which was derived using an equipartition of energy over eigenfunctions of the neural fields. Moreover, the neural field model was invariant, within a set of parameters, to the dynamical system used to model each neuronal mass. Specifically, topologically equivalent dynamical systems resulted in the same neural field model when connected in a lattice; indicating that the fields derived could be read as a canonical cortical field theory. We specifically investigated non-dispersive fields that provide a structure for the coding (or representation) of afferent information. Further elaboration of the ensuing neural field theory, including the effect of dispersive forces, could be of importance in the understanding of the cortical processing of information.

Conventional continual pretraining (CPT) for large language model (LLM) domain adaptation often suffers from catastrophic forgetting and limited domain capacity. Existing strategies adopt layer expansion, introducing additional trainable parameters to accommodate new knowledge. However, the uniform expansion and updates still entangle general and domain learning, undermining its effectiveness. Our pilot studies reveal that LLMs exhibit functional specialization, where layers and units differentially encode general-critical capabilities, suggesting that parameter expansion and optimization should be function-aware. We then propose ADEPT, Adaptive Expansion and Dynamic Decoupled Tuning for continual pretraining, a two-stage framework for domain-adaptive CPT. ADEPT first performs General-Competence Guided Selective Layer Expansion, duplicating layers least critical for the general domain to increase representational capacity while minimizing interference with general knowledge. It then applies Adaptive Unit-Wise Decoupled Tuning, disentangling parameter units within expanded layers according to their general-domain importance and assigning asymmetric learning rates to balance knowledge injection and retention. Experiments on mathematical and medical benchmarks show that ADEPT outperforms full-parameter CPT by up to 5.76% on the general domain and 5.58% on the target domain with only 15% of parameters tuned and less than 50% training time. Ablation studies, theoretical analysis, and extended investigations further demonstrate the necessity of targeted expansion and decoupled optimization, providing new principles for efficient and robust domain-adaptive CPT. Our code is open-sourced at https://github.com/PuppyKnightUniversity/ADEPT

While Large Language Models (LLMs) excel at short-term tasks, scaling them to long-horizon agentic workflows remains challenging. The core bottleneck lies in the scarcity of training data that captures authentic long-dependency structures and cross-stage evolutionary dynamics--existing synthesis methods either confine to single-feature scenarios constrained by model distribution, or incur prohibitive human annotation costs, failing to provide scalable, high-quality supervision. We address this by reconceptualizing data synthesis through the lens of real-world software evolution. Our key insight: Pull Request (PR) sequences naturally embody the supervision signals for long-horizon learning. They decompose complex objectives into verifiable submission units, maintain functional coherence across iterations, and encode authentic refinement patterns through bug-fix histories. Building on this, we propose daVinci-Agency, which systematically mines structured supervision from chain-of-PRs through three interlocking mechanisms: (1) progressive task decomposition via continuous commits, (2) long-term consistency enforcement through unified functional objectives, and (3) verifiable refinement from authentic bug-fix trajectories. Unlike synthetic trajectories that treat each step independently, daVinci-Agency's PR-grounded structure inherently preserves the causal dependencies and iterative refinements essential for teaching persistent goal-directed behavior and enables natural alignment with project-level, full-cycle task modeling. The resulting trajectories are substantial--averaging 85k tokens and 116 tool calls--yet remarkably data-efficient: fine-tuning GLM-4.6 on 239 daVinci-Agency samples yields broad improvements across benchmarks, notably achieving a 47% relative gain on Toolathlon. Beyond benchmark performance, our analysis confirms...

Robotic systems operating in unstructured environments require the ability to switch between compliant and rigid states to perform diverse tasks such as adaptive grasping, high-force manipulation, shape holding, and navigation in constrained spaces, among others. However, many existing variable stiffness solutions rely on complex actuation schemes, continuous input power, or monolithic designs, limiting their modularity and scalability. This paper presents the Programmable Locking Cell (PLC)-a modular, tendon-driven unit that achieves discrete stiffness modulation through mechanically interlocked joints actuated by cable tension. Each unit transitions between compliant and firm states via structural engagement, and the assembled system exhibits high stiffness variation-up to 950% per unit-without susceptibility to damage under high payload in the firm state. Multiple PLC units can be assembled into reconfigurable robotic structures with spatially programmable stiffness. We validate the design through two functional prototypes: (1) a variable-stiffness gripper capable of adaptive grasping, firm holding, and in-hand manipulation; and (2) a pipe-traversing robot composed of serial PLC units that achieves shape adaptability and stiffness control in confined environments. These results demonstrate the PLC as a scalable, structure-centric mechanism for programmable stiffness and motion, enabling robotic systems with reconfigurable morphology and task-adaptive interaction.

We propose a formal reconstruction of quantum mechanics grounded not in external mathematical abstractions, but in the structured dynamics of subjective experience. The Qualia Abstraction Language (QAL) models physical systems as evolving streams of introspective units, structured sequences of modality, shape, and functional effect, rather than as state vectors in Hilbert space. This approach reimagines core quantum concepts: superposition becomes a form of structured ambiguity; collapse is reframed as an introspective contraction; and entanglement is modeled as semantic resonance across streams of qualia. Drawing on insights from nominalist philosophy and oversight theoretic limits in AI, we argue that the observer paradox in quantum mechanics reflects not an ontological lacuna, but a linguistic one: the absence of a formal vocabulary for modeling first person structure. QAL introduces such a vocabulary, providing a morphodynamic framework that embeds the observer within the system and replaces abstract projection with endogenous transformation. We analyze the alignment of QAL with endophysical approaches, contrast it with standard interpretations of quantum theory, and explore its implications for a post Platonist, introspectively grounded physics.

Multi-modal image generation, particularly subject-driven customization, has garnered growing attention in recent years. Despite the rapid advancement of generative models, their evaluation remains largely lagging. Existing methods, whether embedding-based or Multi-modal Large Language Model (MLLM)-based, evaluate alignment with each modal condition in isolation, which contradicts the simultaneous condition alignment objective of multi-modal image generation, leading to poor consistency with human judgments. To address this challenge, we propose UFO, the first unified framework for omni-condition alignment simultaneous evaluation. Specifically, UFO introduces a novel Atomized Chain-of-Evaluation paradigm, i.e., it first decomposes omni-condition alignment into a sequential chain of fine-grained, disentangled Atomic Evaluation Units (AEUs), categorizes them into distinct modality-relevance classes, and then employs general or dedicated functional calls for accurate verification of different AEU types. Experimental results demonstrate that UFO achieves the highest correlation with human evaluation preferences, delivering an average improvement of 15.25%. Furthermore, we present UFO-Bench, a dedicated benchmark designed to holistically evaluate the performance of existing customization models under the diverse mutual interactions of textual and visual conditions.

This paper presents a novel framework for automated game template generation by transforming Game Design Documents (GDDs) into functional Unity game prototypes using Natural Language Processing (NLP) and multi-modal Large Language Models (LLMs). We introduce an end-to-end system that parses GDDs, extracts structured game specifications, and synthesizes Unity-compatible C# code that implements the core mechanics, systems, and architecture defined in the design documentation. Our approach combines a fine-tuned LLaMA-3 model specialized for Unity code generation with a custom Unity integration package that streamlines the implementation process. Evaluation results demonstrate significant improvements over baseline models, with our fine-tuned model achieving superior performance (4.8/5.0 average score) compared to state-of-the-art LLMs across compilation success, GDD adherence, best practices adoption, and code modularity metrics. The generated templates demonstrate high adherence to GDD specifications across multiple game genres. Our system effectively addresses critical gaps in AI-assisted game development, positioning LLMs as valuable tools in streamlining the transition from game design to implementation.

Scaling up transformers has produced models with broad capabilities, deployed across heterogeneous hardware and fluctuating workloads. Yet, model families offer only a few fixed sizes (e.g., S, B, L), forcing users to commit to a model based on hardware and latency constraints. This rigidity is often suboptimal under varying query loads. We introduce a retraining-free method that elastifies pre-trained transformers into a single model that adapts on-the-fly across a continuum of computational budgets. Our key contribution is a differentiable relaxation of the functional unit-ranking problem: unlike prior work, which optimizes a single importance weight per MLP block or attention head, we rank every individual MLP neuron and attention head jointly, on a common scale, by minimizing the model's loss under soft pruning across many sparsity targets, all at once. Across 27 vision and text transformer encoders ranging from 22M to 8B parameters, our method yields smooth degradation up to 60% sparsity and outperforms one-shot baselines under deep pruning. For example, pruning DINOv3 ViT-H+/16 to 50% sparsity removes 427M parameters while reducing ImageNet-1k linear-probing accuracy by only 0.8%, without the need for weight correction or retraining. At 60% sparsity, a pruned AugReg ViT-B/16 model achieves up to 1.80times higher throughput and 1.26times lower single-query latency on an A100 GPU. Elastic models are produced in minutes, with construction time scaling sub-linearly with parameter count.

Large language model agents heavily rely on external memory to support knowledge reuse and complex reasoning tasks. Yet most memory systems store experiences in a single global retrieval pool which can gradually dilute or corrupt stored knowledge. This problem is especially pronounced for small language models (SLMs), which are highly vulnerable to irrelevant context. We introduce CLAG, a CLustering-based AGentic memory framework where an SLM agent actively organizes memory by clustering. CLAG employs an SLM-driven router to assign incoming memories to semantically coherent clusters and autonomously generates cluster-specific profiles, including topic summaries and descriptive tags, to establish each cluster as a self-contained functional unit. By performing localized evolution within these structured neighborhoods, CLAG effectively reduces cross-topic interference and enhances internal memory density. During retrieval, the framework utilizes a two-stage process that first filters relevant clusters via their profiles, thereby excluding distractors and reducing the search space. Experiments on multiple QA datasets with three SLM backbones show that CLAG consistently improves answer quality and robustness over prior memory systems for agents, remaining lightweight and efficient.

Current AI systems achieve impressive performance on many tasks, yet they lack core attributes of biological intelligence, including rapid, continual learning, representations grounded in sensorimotor interactions, and structured knowledge that enables efficient generalization. Neuroscience theory suggests that mammals evolved flexible intelligence through the replication of a semi-independent, sensorimotor module, a functional unit known as a cortical column. To address the disparity between biological and artificial intelligence, thousand-brains systems were proposed as a means of mirroring the architecture of cortical columns and their interactions. In the current work, we evaluate the unique properties of Monty, the first implementation of a thousand-brains system. We focus on 3D object perception, and in particular, the combined task of object recognition and pose estimation. Utilizing the YCB dataset of household objects, we first assess Monty's use of sensorimotor learning to build structured representations, finding that these enable robust generalization. These representations include an emphasis on classifying objects by their global shape, as well as a natural ability to detect object symmetries. We then explore Monty's use of model-free and model-based policies to enable rapid inference by supporting principled movements. We find that such policies complement Monty's modular architecture, a design that can accommodate communication between modules to further accelerate inference speed via a novel `voting' algorithm. Finally, we examine Monty's use of associative, Hebbian-like binding to enable rapid, continual, and computationally efficient learning, properties that compare favorably to current deep learning architectures. While Monty is still in a nascent stage of development, these findings support thousand-brains systems as a powerful and promising new approach to AI.

Large Vision-Language Models (LVLMs) enable sophisticated reasoning over images and videos, yet their inference is hindered by a systemic efficiency barrier known as visual token dominance. This overhead is driven by a multi-regime interplay between high-resolution feature extraction, quadratic attention scaling, and memory bandwidth constraints. We present a systematic taxonomy of efficiency techniques structured around the inference lifecycle, consisting of encoding, prefilling, and decoding. Unlike prior reviews focused on isolated optimizations, we analyze the end-to-end pipeline to reveal how upstream decisions dictate downstream bottlenecks, covering compute-bound visual encoding, the intensive prefilling of massive contexts, and the ''visual memory wall'' in bandwidth-bound decoding. By decoupling the efficiency landscape into the axes of shaping information density, managing long-context attention, and overcoming memory limits, this work provides a structured analysis of how isolated optimizations compose to navigate the trade-off between visual fidelity and system efficiency. The survey concludes by outlining four future frontiers supported by pilot empirical insights, including hybrid compression based on functional unit sensitivity, modality-aware decoding with relaxed verification, progressive state management for streaming continuity, and stage-disaggregated serving through hardware-algorithm co-design. Our literature repository is at https://github.com/SuDIS-ZJU/Efficient-LVLMs-Inference.

We present a new dataset, Functional Map of the World (fMoW), which aims to inspire the development of machine learning models capable of predicting the functional purpose of buildings and land use from temporal sequences of satellite images and a rich set of metadata features. The metadata provided with each image enables reasoning about location, time, sun angles, physical sizes, and other features when making predictions about objects in the image. Our dataset consists of over 1 million images from over 200 countries. For each image, we provide at least one bounding box annotation containing one of 63 categories, including a "false detection" category. We present an analysis of the dataset along with baseline approaches that reason about metadata and temporal views. Our data, code, and pretrained models have been made publicly available.

Advancements in LLMs have recently unveiled challenges tied to computational efficiency and continual scalability due to their requirements of huge parameters, making the applications and evolution of these models on devices with limited computation resources and scenarios requiring various abilities increasingly cumbersome. Inspired by modularity within the human brain, there is a growing tendency to decompose LLMs into numerous functional modules, allowing for inference with part of modules and dynamic assembly of modules to tackle complex tasks, such as mixture-of-experts. To highlight the inherent efficiency and composability of the modular approach, we coin the term brick to represent each functional module, designating the modularized structure as configurable foundation models. In this paper, we offer a comprehensive overview and investigation of the construction, utilization, and limitation of configurable foundation models. We first formalize modules into emergent bricks - functional neuron partitions that emerge during the pre-training phase, and customized bricks - bricks constructed via additional post-training to improve the capabilities and knowledge of LLMs. Based on diverse functional bricks, we further present four brick-oriented operations: retrieval and routing, merging, updating, and growing. These operations allow for dynamic configuration of LLMs based on instructions to handle complex tasks. To verify our perspective, we conduct an empirical analysis on widely-used LLMs. We find that the FFN layers follow modular patterns with functional specialization of neurons and functional neuron partitions. Finally, we highlight several open issues and directions for future research. Overall, this paper aims to offer a fresh modular perspective on existing LLM research and inspire the future creation of more efficient and scalable foundational models.

We propose a new class of generative diffusion models, called functional diffusion. In contrast to previous work, functional diffusion works on samples that are represented by functions with a continuous domain. Functional diffusion can be seen as an extension of classical diffusion models to an infinite-dimensional domain. Functional diffusion is very versatile as images, videos, audio, 3D shapes, deformations, \etc, can be handled by the same framework with minimal changes. In addition, functional diffusion is especially suited for irregular data or data defined in non-standard domains. In our work, we derive the necessary foundations for functional diffusion and propose a first implementation based on the transformer architecture. We show generative results on complicated signed distance functions and deformation functions defined on 3D surfaces.

Generating 3D humans that functionally interact with 3D scenes remains an open problem with applications in embodied AI, robotics, and interactive content creation. The key challenge involves reasoning about both the semantics of functional elements in 3D scenes and the 3D human poses required to achieve functionality-aware interaction. Unfortunately, existing methods typically lack explicit reasoning over object functionality and the corresponding human-scene contact, resulting in implausible or functionally incorrect interactions. In this work, we propose FunHSI, a training-free, functionality-driven framework that enables functionally correct human-scene interactions from open-vocabulary task prompts. Given a task prompt, FunHSI performs functionality-aware contact reasoning to identify functional scene elements, reconstruct their 3D geometry, and model high-level interactions via a contact graph. We then leverage vision-language models to synthesize a human performing the task in the image and estimate proposed 3D body and hand poses. Finally, the proposed 3D body configuration is refined via stage-wise optimization to ensure physical plausibility and functional correctness. In contrast to existing methods, FunHSI not only synthesizes more plausible general 3D interactions, such as "sitting on a sofa'', while supporting fine-grained functional human-scene interactions, e.g., "increasing the room temperature''. Extensive experiments demonstrate that FunHSI consistently generates functionally correct and physically plausible human-scene interactions across diverse indoor and outdoor scenes.

Gated Linear Units (arXiv:1612.08083) consist of the component-wise product of two linear projections, one of which is first passed through a sigmoid function. Variations on GLU are possible, using different nonlinear (or even linear) functions in place of sigmoid. We test these variants in the feed-forward sublayers of the Transformer (arXiv:1706.03762) sequence-to-sequence model, and find that some of them yield quality improvements over the typically-used ReLU or GELU activations.

It is desirable for statistical models to detect signals of interest independently of their position. If the data is generated by some smooth process, this additional structure should be taken into account. We introduce a new class of neural networks that are shift invariant and preserve smoothness of the data: functional neural networks (FNNs). For this, we use methods from functional data analysis (FDA) to extend multi-layer perceptrons and convolutional neural networks to functional data. We propose different model architectures, show that the models outperform a benchmark model from FDA in terms of accuracy and successfully use FNNs to classify electroencephalography (EEG) data.

Sparse autoencoders have recently produced dictionaries of high-dimensional vectors corresponding to the universe of concepts represented by large language models. We find that this concept universe has interesting structure at three levels: 1) The "atomic" small-scale structure contains "crystals" whose faces are parallelograms or trapezoids, generalizing well-known examples such as (man-woman-king-queen). We find that the quality of such parallelograms and associated function vectors improves greatly when projecting out global distractor directions such as word length, which is efficiently done with linear discriminant analysis. 2) The "brain" intermediate-scale structure has significant spatial modularity; for example, math and code features form a "lobe" akin to functional lobes seen in neural fMRI images. We quantify the spatial locality of these lobes with multiple metrics and find that clusters of co-occurring features, at coarse enough scale, also cluster together spatially far more than one would expect if feature geometry were random. 3) The "galaxy" scale large-scale structure of the feature point cloud is not isotropic, but instead has a power law of eigenvalues with steepest slope in middle layers. We also quantify how the clustering entropy depends on the layer.

We propose the Gaussian Error Linear Unit (GELU), a high-performing neural network activation function. The GELU activation function is xPhi(x), where Phi(x) the standard Gaussian cumulative distribution function. The GELU nonlinearity weights inputs by their value, rather than gates inputs by their sign as in ReLUs (x1_{x>0}). We perform an empirical evaluation of the GELU nonlinearity against the ReLU and ELU activations and find performance improvements across all considered computer vision, natural language processing, and speech tasks.

The choice of activation functions in deep networks has a significant effect on the training dynamics and task performance. Currently, the most successful and widely-used activation function is the Rectified Linear Unit (ReLU). Although various hand-designed alternatives to ReLU have been proposed, none have managed to replace it due to inconsistent gains. In this work, we propose to leverage automatic search techniques to discover new activation functions. Using a combination of exhaustive and reinforcement learning-based search, we discover multiple novel activation functions. We verify the effectiveness of the searches by conducting an empirical evaluation with the best discovered activation function. Our experiments show that the best discovered activation function, f(x) = x cdot sigmoid(beta x), which we name Swish, tends to work better than ReLU on deeper models across a number of challenging datasets. For example, simply replacing ReLUs with Swish units improves top-1 classification accuracy on ImageNet by 0.9\% for Mobile NASNet-A and 0.6\% for Inception-ResNet-v2. The simplicity of Swish and its similarity to ReLU make it easy for practitioners to replace ReLUs with Swish units in any neural network.

Neural networks can approximate complex functions, but they struggle to perform exact arithmetic operations over real numbers. The lack of inductive bias for arithmetic operations leaves neural networks without the underlying logic necessary to extrapolate on tasks such as addition, subtraction, and multiplication. We present two new neural network components: the Neural Addition Unit (NAU), which can learn exact addition and subtraction; and the Neural Multiplication Unit (NMU) that can multiply subsets of a vector. The NMU is, to our knowledge, the first arithmetic neural network component that can learn to multiply elements from a vector, when the hidden size is large. The two new components draw inspiration from a theoretical analysis of recently proposed arithmetic components. We find that careful initialization, restricting parameter space, and regularizing for sparsity is important when optimizing the NAU and NMU. Our proposed units NAU and NMU, compared with previous neural units, converge more consistently, have fewer parameters, learn faster, can converge for larger hidden sizes, obtain sparse and meaningful weights, and can extrapolate to negative and small values.

Recent work has shown that feed-forward networks (FFNs) in pre-trained Transformers are a key component, storing various linguistic and factual knowledge. However, the computational patterns of FFNs are still unclear. In this work, we study the computational patterns of FFNs and observe that most inputs only activate a tiny ratio of neurons of FFNs. This phenomenon is similar to the sparsity of the human brain, which drives research on functional partitions of the human brain. To verify whether functional partitions also emerge in FFNs, we propose to convert a model into its MoE version with the same parameters, namely MoEfication. Specifically, MoEfication consists of two phases: (1) splitting the parameters of FFNs into multiple functional partitions as experts, and (2) building expert routers to decide which experts will be used for each input. Experimental results show that MoEfication can conditionally use 10% to 30% of FFN parameters while maintaining over 95% original performance for different models on various downstream tasks. Besides, MoEfication brings two advantages: (1) it significantly reduces the FLOPS of inference, i.e., 2x speedup with 25% of FFN parameters, and (2) it provides a fine-grained perspective to study the inner mechanism of FFNs. The source code of this paper can be obtained from https://github.com/thunlp/MoEfication.

We present a functional form (that we refer to as a Unified Neural Scaling Law (UNSL)) that accurately models and extrapolates the scaling behaviors of deep neural networks as multiple dimensions all vary simultaneously (i.e. how the evaluation metric of interest varies as one simultaneously varies the number of model parameters, training dataset size, number of training steps, number of inference steps, amount of compute, and various hyperparameters) for various architectures and for each of various tasks within a varied set of upstream and downstream tasks. This set includes large-scale vision, language, math, and reinforcement learning. When compared to other functional forms for neural scaling, this functional form yields extrapolations of scaling behavior that are considerably more accurate on this set.

Well-known activation functions like ReLU or Leaky ReLU are non-differentiable at the origin. Over the years, many smooth approximations of ReLU have been proposed using various smoothing techniques. We propose new smooth approximations of a non-differentiable activation function by convolving it with approximate identities. In particular, we present smooth approximations of Leaky ReLU and show that they outperform several well-known activation functions in various datasets and models. We call this function Smooth Activation Unit (SAU). Replacing ReLU by SAU, we get 5.12% improvement with ShuffleNet V2 (2.0x) model on CIFAR100 dataset.

Understanding functionalities in 3D scenes involves interpreting natural language descriptions to locate functional interactive objects, such as handles and buttons, in a 3D environment. Functionality understanding is highly challenging, as it requires both world knowledge to interpret language and spatial perception to identify fine-grained objects. For example, given a task like 'turn on the ceiling light', an embodied AI agent must infer that it needs to locate the light switch, even though the switch is not explicitly mentioned in the task description. To date, no dedicated methods have been developed for this problem. In this paper, we introduce Fun3DU, the first approach designed for functionality understanding in 3D scenes. Fun3DU uses a language model to parse the task description through Chain-of-Thought reasoning in order to identify the object of interest. The identified object is segmented across multiple views of the captured scene by using a vision and language model. The segmentation results from each view are lifted in 3D and aggregated into the point cloud using geometric information. Fun3DU is training-free, relying entirely on pre-trained models. We evaluate Fun3DU on SceneFun3D, the most recent and only dataset to benchmark this task, which comprises over 3000 task descriptions on 230 scenes. Our method significantly outperforms state-of-the-art open-vocabulary 3D segmentation approaches. Project page: https://jcorsetti.github.io/fun3du

We introduce the task of predicting functional 3D scene graphs for real-world indoor environments from posed RGB-D images. Unlike traditional 3D scene graphs that focus on spatial relationships of objects, functional 3D scene graphs capture objects, interactive elements, and their functional relationships. Due to the lack of training data, we leverage foundation models, including visual language models (VLMs) and large language models (LLMs), to encode functional knowledge. We evaluate our approach on an extended SceneFun3D dataset and a newly collected dataset, FunGraph3D, both annotated with functional 3D scene graphs. Our method significantly outperforms adapted baselines, including Open3DSG and ConceptGraph, demonstrating its effectiveness in modeling complex scene functionalities. We also demonstrate downstream applications such as 3D question answering and robotic manipulation using functional 3D scene graphs. See our project page at https://openfungraph.github.io

Functional grasping is essential for humans to perform specific tasks, such as grasping scissors by the finger holes to cut materials or by the blade to safely hand them over. Enabling dexterous robot hands with functional grasping capabilities is crucial for their deployment to accomplish diverse real-world tasks. Recent research in dexterous grasping, however, often focuses on power grasps while overlooking task- and object-specific functional grasping poses. In this paper, we introduce FunGrasp, a system that enables functional dexterous grasping across various robot hands and performs one-shot transfer to unseen objects. Given a single RGBD image of functional human grasping, our system estimates the hand pose and transfers it to different robotic hands via a human-to-robot (H2R) grasp retargeting module. Guided by the retargeted grasping poses, a policy is trained through reinforcement learning in simulation for dynamic grasping control. To achieve robust sim-to-real transfer, we employ several techniques including privileged learning, system identification, domain randomization, and gravity compensation. In our experiments, we demonstrate that our system enables diverse functional grasping of unseen objects using single RGBD images, and can be successfully deployed across various dexterous robot hands. The significance of the components is validated through comprehensive ablation studies. Project page: https://hly-123.github.io/FunGrasp/ .

Human readers or radiologists routinely perform full-body multi-organ multi-disease detection and diagnosis in clinical practice, while most medical AI systems are built to focus on single organs with a narrow list of a few diseases. This might severely limit AI's clinical adoption. A certain number of AI models need to be assembled non-trivially to match the diagnostic process of a human reading a CT scan. In this paper, we construct a Unified Tumor Transformer (UniT) model to detect (tumor existence and location) and diagnose (tumor characteristics) eight major cancer-prevalent organs in CT scans. UniT is a query-based Mask Transformer model with the output of multi-organ and multi-tumor semantic segmentation. We decouple the object queries into organ queries, detection queries and diagnosis queries, and further establish hierarchical relationships among the three groups. This clinically-inspired architecture effectively assists inter- and intra-organ representation learning of tumors and facilitates the resolution of these complex, anatomically related multi-organ cancer image reading tasks. UniT is trained end-to-end using a curated large-scale CT images of 10,042 patients including eight major types of cancers and occurring non-cancer tumors (all are pathology-confirmed with 3D tumor masks annotated by radiologists). On the test set of 631 patients, UniT has demonstrated strong performance under a set of clinically relevant evaluation metrics, substantially outperforming both multi-organ segmentation methods and an assembly of eight single-organ expert models in tumor detection, segmentation, and diagnosis. Such a unified multi-cancer image reading model (UniT) can significantly reduce the number of false positives produced by combined multi-system models. This moves one step closer towards a universal high-performance cancer screening tool.

This paper discusses the experiences gained from designing, deploying, and maintaining low-power Wireless Sensor Networks (WSN) in three geothermally active remote locations in Iceland. The network was deployed for environmental monitoring and real-time data collection to assist in investigating the impact of global warming on the (sub)Arctic climate and the resulting carbon release from the region. Functional networks with more than 50 sensor nodes from three sites with extreme weather conditions and hard-to-access terrain have been collecting data since 2021. The networks employ primary cell-powered wireless sensor nodes equipped with DASH7 Alliance Protocol (D7A) for low-power data transmission and solar-powered D7A-cellular gateways for the backend connection. The WSNs have so far achieved over three years of uptime with minimal maintenance required throughout this period. We present a detailed discussion of different network components, their architecture, and the networks' overall performance and reliability.

This paper introduces FunASR, an open-source speech recognition toolkit designed to bridge the gap between academic research and industrial applications. FunASR offers models trained on large-scale industrial corpora and the ability to deploy them in applications. The toolkit's flagship model, Paraformer, is a non-autoregressive end-to-end speech recognition model that has been trained on a manually annotated Mandarin speech recognition dataset that contains 60,000 hours of speech. To improve the performance of Paraformer, we have added timestamp prediction and hotword customization capabilities to the standard Paraformer backbone. In addition, to facilitate model deployment, we have open-sourced a voice activity detection model based on the Feedforward Sequential Memory Network (FSMN-VAD) and a text post-processing punctuation model based on the controllable time-delay Transformer (CT-Transformer), both of which were trained on industrial corpora. These functional modules provide a solid foundation for building high-precision long audio speech recognition services. Compared to other models trained on open datasets, Paraformer demonstrates superior performance.

We present a smoothly broken power law functional form (that we refer to as a Broken Neural Scaling Law (BNSL)) that accurately models & extrapolates the scaling behaviors of deep neural networks (i.e. how the evaluation metric of interest varies as amount of compute used for training (or inference), number of model parameters, training dataset size, model input size, number of training steps, or upstream performance varies) for various architectures & for each of various tasks within a large & diverse set of upstream & downstream tasks, in zero-shot, prompted, & finetuned settings. This set includes large-scale vision, language, audio, video, diffusion, generative modeling, multimodal learning, contrastive learning, AI alignment, AI capabilities, robotics, out-of-distribution (OOD) generalization, continual learning, transfer learning, uncertainty estimation / calibration, OOD detection, adversarial robustness, distillation, sparsity, retrieval, quantization, pruning, fairness, molecules, computer programming/coding, math word problems, "emergent phase transitions", arithmetic, supervised learning, unsupervised/self-supervised learning, & reinforcement learning (single agent & multi-agent). When compared to other functional forms for neural scaling, this functional form yields extrapolations of scaling behavior that are considerably more accurate on this set. Moreover, this functional form accurately models & extrapolates scaling behavior that other functional forms are incapable of expressing such as the nonmonotonic transitions present in the scaling behavior of phenomena such as double descent & the delayed, sharp inflection points present in the scaling behavior of tasks such as arithmetic. Lastly, we use this functional form to glean insights about the limit of the predictability of scaling behavior. Code is available at https://github.com/ethancaballero/broken_neural_scaling_laws

Selecting the most suitable activation function is a critical factor in the effectiveness of deep learning models, as it influences their learning capacity, stability, and computational efficiency. In recent years, the Gaussian Error Linear Unit (GELU) activation function has emerged as a dominant method, surpassing traditional functions such as the Rectified Linear Unit (ReLU) in various applications. This study presents a rigorous mathematical investigation of the GELU activation function, exploring its differentiability, boundedness, stationarity, and smoothness properties in detail. Additionally, we conduct an extensive experimental comparison of the GELU function against a broad range of alternative activation functions, utilizing a residual convolutional network trained on the CIFAR-10, CIFAR-100, and STL-10 datasets as the empirical testbed. Our results demonstrate the superior performance of GELU compared to other activation functions, establishing its suitability for a wide range of deep learning applications. This comprehensive study contributes to a more profound understanding of the underlying mathematical properties of GELU and provides valuable insights for practitioners aiming to select activation functions that optimally align with their specific objectives and constraints in deep learning.

Learning mappings between infinite-dimensional function spaces, or operator learning, is essential for many machine learning applications. Although transformer-based operators are popular, they often rely on token-wise attention. These methods treat continuous fields as discrete tokens and usually ignore the global functional structure. We introduce Functional Attention, which reinterprets attention as a functional correspondence between adaptive bases. Inspired by geometric functional maps, our method replaces softmax affinities with structured linear operators. This yields a compact, generalizable, resolution-invariant representation that explicitly captures global dependencies. Experiments demonstrate that Functional Attention can match state-of-the-art performance in many operator learning tasks, including solving PDEs, 3D segmentation, and regression, while remaining robust to varying discretizations. Project page is available at https://github.com/xjffff/FUNCATTN.

In this paper we compare different types of recurrent units in recurrent neural networks (RNNs). Especially, we focus on more sophisticated units that implement a gating mechanism, such as a long short-term memory (LSTM) unit and a recently proposed gated recurrent unit (GRU). We evaluate these recurrent units on the tasks of polyphonic music modeling and speech signal modeling. Our experiments revealed that these advanced recurrent units are indeed better than more traditional recurrent units such as tanh units. Also, we found GRU to be comparable to LSTM.

We present unit scaling, a paradigm for designing deep learning models that simplifies the use of low-precision number formats. Training in FP16 or the recently proposed FP8 formats offers substantial efficiency gains, but can lack sufficient range for out-of-the-box training. Unit scaling addresses this by introducing a principled approach to model numerics: seeking unit variance of all weights, activations and gradients at initialisation. Unlike alternative methods, this approach neither requires multiple training runs to find a suitable scale nor has significant computational overhead. We demonstrate the efficacy of unit scaling across a range of models and optimisers. We further show that existing models can be adapted to be unit-scaled, training BERT-Large in FP16 and then FP8 with no degradation in accuracy.

Functional group replacement is a pivotal approach in cheminformatics to enable the design of novel chemical compounds with tailored properties. Traditional methods for functional group removal and replacement often rely on rule-based heuristics, which can be limited in their ability to generate diverse and novel chemical structures. Recently, transformer-based models have shown promise in improving the accuracy and efficiency of molecular transformations, but existing approaches typically focus on single-step modeling, lacking the guarantee of structural similarity. In this work, we seek to advance the state of the art by developing a novel two-stage transformer model for functional group removal and replacement. Unlike one-shot approaches that generate entire molecules in a single pass, our method generates the functional group to be removed and appended sequentially, ensuring strict substructure-level modifications. Using a matched molecular pairs (MMPs) dataset derived from ChEMBL, we trained an encoder-decoder transformer model with SMIRKS-based representations to capture transformation rules effectively. Extensive evaluations demonstrate our method's ability to generate chemically valid transformations, explore diverse chemical spaces, and maintain scalability across varying search sizes.

We propose the APTx Neuron, a novel, unified neural computation unit that integrates non-linear activation and linear transformation into a single trainable expression. The APTx Neuron is derived from the APTx activation function, thereby eliminating the need for separate activation layers and making the architecture both computationally efficient and elegant. The proposed neuron follows the functional form y = sum_{i=1}^{n} ((alpha_i + tanh(beta_i x_i)) cdot gamma_i x_i) + delta, where all parameters alpha_i, beta_i, gamma_i, and delta are trainable. We validate our APTx Neuron-based architecture on the MNIST dataset, achieving up to 96.69% test accuracy within 11 epochs using approximately 332K trainable parameters. The results highlight the superior expressiveness and computational efficiency of the APTx Neuron compared to traditional neurons, pointing toward a new paradigm in unified neuron design and the architectures built upon it.

The fundamental units of internal representations in large language models (LLMs) remain undefined, limiting further understanding of their mechanisms. Neurons or features are often regarded as such units, yet neurons suffer from polysemy, while features face concerns of unreliable reconstruction and instability. To address this issue, we propose the Atoms Theory, which defines such units as atoms. We introduce the atomic inner product (AIP) to correct representation shifting, formally define atoms, and prove the conditions that atoms satisfy the Restricted Isometry Property (RIP), ensuring stable sparse representations over atom set and linking to compressed sensing. Under stronger conditions, we further establish the uniqueness and exact ell_1 recoverability of the sparse representations, and provide guarantees that single-layer sparse autoencoders (SAEs) with threshold activations can reliably identify the atoms. To validate the Atoms Theory, we train threshold-activated SAEs on Gemma2-2B, Gemma2-9B, and Llama3.1-8B, achieving 99.9% sparse reconstruction across layers on average, and more than 99.8% of atoms satisfy the uniqueness condition, compared to 0.5% for neurons and 68.2% for features, showing that atoms more faithfully capture intrinsic representations of LLMs. Scaling experiments further reveal the link between SAEs size and recovery capacity. Overall, this work systematically introduces and validates Atoms Theory of LLMs, providing a theoretical framework for understanding internal representations and a foundation for mechanistic interpretability. Code available at https://github.com/ChenhuiHu/towards_atoms.

Recent work in 3D scene understanding is moving beyond purely spatial analysis toward functional scene understanding. However, existing methods often consider functional relationships between object pairs in isolation, failing to capture the scene-wide interdependence that humans use to resolve ambiguity. We introduce FunFact, a framework for constructing probabilistic open-vocabulary functional 3D scene graphs from posed RGB-D images. FunFact first builds an object- and part-centric 3D map and uses foundation models to propose semantically plausible functional relations. These candidates are converted into factor graph variables and constrained by both LLM-derived common-sense priors and geometric priors. This formulation enables joint probabilistic inference over all functional edges and their marginals, yielding substantially better calibrated confidence scores. To benchmark this setting, we introduce FunThor, a synthetic dataset based on AI2-THOR with part-level geometry and rule-based functional annotations. Experiments on SceneFun3D, FunGraph3D, and FunThor show that FunFact improves node and relation discovery recall and significantly reduces calibration error for ambiguous relations, highlighting the benefits of holistic probabilistic modeling for functional scene understanding. See our project page at https://funfact-scenegraph.github.io/

Large language models (LLMs) have gained significant attention in chemistry. However, most existing datasets center on molecular-level property prediction and overlook the role of fine-grained functional group (FG) information. Incorporating FG-level data can provide valuable prior knowledge that links molecular structures with textual descriptions, which can be used to build more interpretable, structure-aware LLMs for reasoning on molecule-related tasks. Moreover, LLMs can learn from such fine-grained information to uncover hidden relationships between specific functional groups and molecular properties, thereby advancing molecular design and drug discovery. Here, we introduce FGBench, a dataset comprising 625K molecular property reasoning problems with functional group information. Functional groups are precisely annotated and localized within the molecule, which ensures the dataset's interoperability thereby facilitating further multimodal applications. FGBench includes both regression and classification tasks on 245 different functional groups across three categories for molecular property reasoning: (1) single functional group impacts, (2) multiple functional group interactions, and (3) direct molecular comparisons. In the benchmark of state-of-the-art LLMs on 7K curated data, the results indicate that current LLMs struggle with FG-level property reasoning, highlighting the need to enhance reasoning capabilities in LLMs for chemistry tasks. We anticipate that the methodology employed in FGBench to construct datasets with functional group-level information will serve as a foundational framework for generating new question-answer pairs, enabling LLMs to better understand fine-grained molecular structure-property relationships. The dataset and evaluation code are available at https://github.com/xuanliugit/FGBench.

In this paper, we propose a real-world benchmark for studying robotic learning in the context of functional manipulation: a robot needs to accomplish complex long-horizon behaviors by composing individual manipulation skills in functionally relevant ways. The core design principles of our Functional Manipulation Benchmark (FMB) emphasize a harmonious balance between complexity and accessibility. Tasks are deliberately scoped to be narrow, ensuring that models and datasets of manageable scale can be utilized effectively to track progress. Simultaneously, they are diverse enough to pose a significant generalization challenge. Furthermore, the benchmark is designed to be easily replicable, encompassing all essential hardware and software components. To achieve this goal, FMB consists of a variety of 3D-printed objects designed for easy and accurate replication by other researchers. The objects are procedurally generated, providing a principled framework to study generalization in a controlled fashion. We focus on fundamental manipulation skills, including grasping, repositioning, and a range of assembly behaviors. The FMB can be used to evaluate methods for acquiring individual skills, as well as methods for combining and ordering such skills to solve complex, multi-stage manipulation tasks. We also offer an imitation learning framework that includes a suite of policies trained to solve the proposed tasks. This enables researchers to utilize our tasks as a versatile toolkit for examining various parts of the pipeline. For example, researchers could propose a better design for a grasping controller and evaluate it in combination with our baseline reorientation and assembly policies as part of a pipeline for solving multi-stage tasks. Our dataset, object CAD files, code, and evaluation videos can be found on our project website: https://functional-manipulation-benchmark.github.io

Although large language models (LLMs) are increasingly capable, these capabilities are unevenly distributed: they excel at formal linguistic tasks, such as producing fluent, grammatical text, but struggle more with functional linguistic tasks like reasoning and consistent fact retrieval. Inspired by neuroscience, recent work suggests that to succeed on both formal and functional linguistic tasks, LLMs should use different mechanisms for each; such localization could either be built-in or emerge spontaneously through training. In this paper, we ask: do current models, with fast-improving functional linguistic abilities, exhibit distinct localization of formal and functional linguistic mechanisms? We answer this by finding and comparing the "circuits", or minimal computational subgraphs, responsible for various formal and functional tasks. Comparing 5 LLMs across 10 distinct tasks, we find that while there is indeed little overlap between circuits for formal and functional tasks, there is also little overlap between formal linguistic tasks, as exists in the human brain. Thus, a single formal linguistic network, unified and distinct from functional task circuits, remains elusive. However, in terms of cross-task faithfulness - the ability of one circuit to solve another's task - we observe a separation between formal and functional mechanisms, suggesting that shared mechanisms between formal tasks may exist.

The complete connectome of the Drosophila larva brain offers a unique opportunity to investigate whether biologically evolved circuits can support artificial intelligence. We convert this wiring diagram into a Biological Processing Unit (BPU), a fixed recurrent network derived directly from synaptic connectivity. Despite its modest size 3,000 neurons and 65,000 weights between them), the unmodified BPU achieves 98% accuracy on MNIST and 58% on CIFAR-10, surpassing size-matched MLPs. Scaling the BPU via structured connectome expansions further improves CIFAR-10 performance, while modality-specific ablations reveal the uneven contributions of different sensory subsystems. On the ChessBench dataset, a lightweight GNN-BPU model trained on only 10,000 games achieves 60% move accuracy, nearly 10x better than any size transformer. Moreover, CNN-BPU models with ~2M parameters outperform parameter-matched Transformers, and with a depth-6 minimax search at inference, reach 91.7% accuracy, exceeding even a 9M-parameter Transformer baseline. These results demonstrate the potential of biofidelic neural architectures to support complex cognitive tasks and motivate scaling to larger and more intelligent connectomes in future work.

Deep functional maps have recently emerged as a powerful tool for solving non-rigid shape correspondence tasks. Methods that use this approach combine the power and flexibility of the functional map framework, with data-driven learning for improved accuracy and generality. However, most existing methods in this area restrict the learning aspect only to the feature functions and still rely on axiomatic modeling for formulating the training loss or for functional map regularization inside the networks. This limits both the accuracy and the applicability of the resulting approaches only to scenarios where assumptions of the axiomatic models hold. In this work, we show, for the first time, that both in-network regularization and functional map training can be replaced with data-driven methods. For this, we first train a generative model of functional maps in the spectral domain using score-based generative modeling, built from a large collection of high-quality maps. We then exploit the resulting model to promote the structural properties of ground truth functional maps on new shape collections. Remarkably, we demonstrate that the learned models are category-agnostic, and can fully replace commonly used strategies such as enforcing Laplacian commutativity or orthogonality of functional maps. Our key technical contribution is a novel distillation strategy from diffusion models in the spectral domain. Experiments demonstrate that our learned regularization leads to better results than axiomatic approaches for zero-shot non-rigid shape matching. Our code is available at: https://github.com/daidedou/diffumatch/