Daily Papers

Recent advances in artificial intelligence (AI) have produced highly capable and controllable systems. This creates unprecedented opportunities for structured reasoning as well as collaboration among multiple AI systems and humans. To fully realize this potential, it is essential to develop a principled way of designing and studying such structured interactions. For this purpose, we introduce the conceptual framework of Flows: a systematic approach to modeling complex interactions. Flows are self-contained building blocks of computation, with an isolated state, communicating through a standardized message-based interface. This modular design allows Flows to be recursively composed into arbitrarily nested interactions, with a substantial reduction of complexity. Crucially, any interaction can be implemented using this framework, including prior work on AI--AI and human--AI interactions, prompt engineering schemes, and tool augmentation. We demonstrate the potential of Flows on the task of competitive coding, a challenging task on which even GPT-4 struggles. Our results suggest that structured reasoning and collaboration substantially improve generalization, with AI-only Flows adding +21 and human--AI Flows adding +54 absolute points in terms of solve rate. To support rapid and rigorous research, we introduce the aiFlows library. The library comes with a repository of Flows that can be easily used, extended, and composed into novel, more complex Flows. The aiFlows library is available at https://github.com/epfl-dlab/aiflows. Data and Flows for reproducing our experiments are available at https://github.com/epfl-dlab/cc_flows.

The Reinforcement Learning (RL) building blocks, i.e. Q-functions and policy networks, usually take elements from the cartesian product of two domains as input. In particular, the input of the Q-function is both the state and the action, and in multi-task problems (Meta-RL) the policy can take a state and a context. Standard architectures tend to ignore these variables' underlying interpretations and simply concatenate their features into a single vector. In this work, we argue that this choice may lead to poor gradient estimation in actor-critic algorithms and high variance learning steps in Meta-RL algorithms. To consider the interaction between the input variables, we suggest using a Hypernetwork architecture where a primary network determines the weights of a conditional dynamic network. We show that this approach improves the gradient approximation and reduces the learning step variance, which both accelerates learning and improves the final performance. We demonstrate a consistent improvement across different locomotion tasks and different algorithms both in RL (TD3 and SAC) and in Meta-RL (MAML and PEARL).

Adaptive behavior often requires predicting future events. The theory of reinforcement learning prescribes what kinds of predictive representations are useful and how to compute them. This paper integrates these theoretical ideas with work on cognition and neuroscience. We pay special attention to the successor representation (SR) and its generalizations, which have been widely applied both as engineering tools and models of brain function. This convergence suggests that particular kinds of predictive representations may function as versatile building blocks of intelligence.

We tackle the problem of aligning pre-trained large language models (LMs) with human preferences. If we view text generation as a sequential decision-making problem, reinforcement learning (RL) appears to be a natural conceptual framework. However, using RL for LM-based generation faces empirical challenges, including training instability due to the combinatorial action space, as well as a lack of open-source libraries and benchmarks customized for LM alignment. Thus, a question rises in the research community: is RL a practical paradigm for NLP? To help answer this, we first introduce an open-source modular library, RL4LMs (Reinforcement Learning for Language Models), for optimizing language generators with RL. The library consists of on-policy RL algorithms that can be used to train any encoder or encoder-decoder LM in the HuggingFace library (Wolf et al. 2020) with an arbitrary reward function. Next, we present the GRUE (General Reinforced-language Understanding Evaluation) benchmark, a set of 6 language generation tasks which are supervised not by target strings, but by reward functions which capture automated measures of human preference.GRUE is the first leaderboard-style evaluation of RL algorithms for NLP tasks. Finally, we introduce an easy-to-use, performant RL algorithm, NLPO (Natural Language Policy Optimization)} that learns to effectively reduce the combinatorial action space in language generation. We show 1) that RL techniques are generally better than supervised methods at aligning LMs to human preferences; and 2) that NLPO exhibits greater stability and performance than previous policy gradient methods (e.g., PPO (Schulman et al. 2017)), based on both automatic and human evaluations.

A simple design recipe for deep Transformers is to compose identical building blocks. But standard transformer blocks are far from simple, interweaving attention and MLP sub-blocks with skip connections & normalisation layers in precise arrangements. This complexity leads to brittle architectures, where seemingly minor changes can significantly reduce training speed, or render models untrainable. In this work, we ask to what extent the standard transformer block can be simplified? Combining signal propagation theory and empirical observations, we motivate modifications that allow many block components to be removed with no loss of training speed, including skip connections, projection or value parameters, sequential sub-blocks and normalisation layers. In experiments on both autoregressive decoder-only and BERT encoder-only models, our simplified transformers emulate the per-update training speed and performance of standard transformers, while enjoying 15% faster training throughput, and using 15% fewer parameters.

NeMo (Neural Modules) is a Python framework-agnostic toolkit for creating AI applications through re-usability, abstraction, and composition. NeMo is built around neural modules, conceptual blocks of neural networks that take typed inputs and produce typed outputs. Such modules typically represent data layers, encoders, decoders, language models, loss functions, or methods of combining activations. NeMo makes it easy to combine and re-use these building blocks while providing a level of semantic correctness checking via its neural type system. The toolkit comes with extendable collections of pre-built modules for automatic speech recognition and natural language processing. Furthermore, NeMo provides built-in support for distributed training and mixed precision on latest NVIDIA GPUs. NeMo is open-source https://github.com/NVIDIA/NeMo

Language model applications are becoming increasingly popular and complex, often including features like tool usage and retrieval augmentation. However, existing frameworks for such applications are often opinionated, deciding for developers how their prompts ought to be formatted and imposing limitations on customizability and reproducibility. To solve this we present Kani: a lightweight, flexible, and model-agnostic open-source framework for building language model applications. Kani helps developers implement a variety of complex features by supporting the core building blocks of chat interaction: model interfacing, chat management, and robust function calling. All Kani core functions are easily overridable and well documented to empower developers to customize functionality for their own needs. Kani thus serves as a useful tool for researchers, hobbyists, and industry professionals alike to accelerate their development while retaining interoperability and fine-grained control.

Embodied multi-agent systems (EMAS) have attracted growing attention for their potential to address complex, real-world challenges in areas such as logistics and robotics. Recent advances in foundation models pave the way for generative agents capable of richer communication and adaptive problem-solving. This survey provides a systematic examination of how EMAS can benefit from these generative capabilities. We propose a taxonomy that categorizes EMAS by system architectures and embodiment modalities, emphasizing how collaboration spans both physical and virtual contexts. Central building blocks, perception, planning, communication, and feedback, are then analyzed to illustrate how generative techniques bolster system robustness and flexibility. Through concrete examples, we demonstrate the transformative effects of integrating foundation models into embodied, multi-agent frameworks. Finally, we discuss challenges and future directions, underlining the significant promise of EMAS to reshape the landscape of AI-driven collaboration.

We present FAX, a JAX-based library designed to support large-scale distributed and federated computations in both data center and cross-device applications. FAX leverages JAX's sharding mechanisms to enable native targeting of TPUs and state-of-the-art JAX runtimes, including Pathways. FAX embeds building blocks for federated computations as primitives in JAX. This enables three key benefits. First, FAX computations can be translated to XLA HLO. Second, FAX provides a full implementation of federated automatic differentiation, greatly simplifying the expression of federated computations. Last, FAX computations can be interpreted out to existing production cross-device federated compute systems. We show that FAX provides an easily programmable, performant, and scalable framework for federated computations in the data center. FAX is available at https://github.com/google-research/google-research/tree/master/fax .

Downsampling layers are crucial building blocks in CNN architectures, which help to increase the receptive field for learning high-level features and reduce the amount of memory/computation in the model. In this work, we study the generalization of the uniform downsampling layer for group equivariant architectures, e.g., G-CNNs. That is, we aim to downsample signals (feature maps) on general finite groups with anti-aliasing. This involves the following: (a) Given a finite group and a downsampling rate, we present an algorithm to form a suitable choice of subgroup. (b) Given a group and a subgroup, we study the notion of bandlimited-ness and propose how to perform anti-aliasing. Notably, our method generalizes the notion of downsampling based on classical sampling theory. When the signal is on a cyclic group, i.e., periodic, our method recovers the standard downsampling of an ideal low-pass filter followed by a subsampling operation. Finally, we conducted experiments on image classification tasks demonstrating that the proposed downsampling operation improves accuracy, better preserves equivariance, and reduces model size when incorporated into G-equivariant networks

Transformers consist of diverse building blocks, such as embedding layers, normalization layers, self-attention mechanisms, and point-wise feedforward networks. Thus, understanding the differences and interactions among these blocks is important. In this paper, we uncover a clear Sharpness Disparity across these blocks, which emerges early in training and intriguingly persists throughout the training process. Motivated by this finding, we propose Blockwise Learning Rate (LR), a strategy that tailors the LR to each block's sharpness, accelerating large language model (LLM) pre-training. By integrating Blockwise LR into AdamW, we consistently achieve lower terminal loss and nearly 2times speedup compared to vanilla AdamW. We demonstrate this acceleration across GPT-2 and LLaMA, with model sizes ranging from 0.12B to 1.1B and datasets of OpenWebText and MiniPile. Finally, we incorporate Blockwise LR into Adam-mini (Zhang et al., 2024), a recently proposed memory-efficient variant of Adam, achieving a combined 2times speedup and 2times memory saving. These results underscore the potential of exploiting the sharpness disparity to improve LLM training.

Autonomous robots exploring unknown areas face a significant challenge -- navigating effectively without prior maps and with limited external feedback. This challenge intensifies in sparse reward environments, where traditional exploration techniques often fail. In this paper, we introduce TopoNav, a novel framework that empowers robots to overcome these constraints and achieve efficient, adaptable, and goal-oriented exploration. TopoNav's fundamental building blocks are active topological mapping, intrinsic reward mechanisms, and hierarchical objective prioritization. Throughout its exploration, TopoNav constructs a dynamic topological map that captures key locations and pathways. It utilizes intrinsic rewards to guide the robot towards designated sub-goals within this map, fostering structured exploration even in sparse reward settings. To ensure efficient navigation, TopoNav employs the Hierarchical Objective-Driven Active Topologies framework, enabling the robot to prioritize immediate tasks like obstacle avoidance while maintaining focus on the overall goal. We demonstrate TopoNav's effectiveness in simulated environments that replicate real-world conditions. Our results reveal significant improvements in exploration efficiency, navigational accuracy, and adaptability to unforeseen obstacles, showcasing its potential to revolutionize autonomous exploration in a wide range of applications, including search and rescue, environmental monitoring, and planetary exploration.

In this work we present a new method for the estimation of Mutual Information (MI) between random variables. Our approach is based on an original interpretation of the Girsanov theorem, which allows us to use score-based diffusion models to estimate the Kullback Leibler divergence between two densities as a difference between their score functions. As a by-product, our method also enables the estimation of the entropy of random variables. Armed with such building blocks, we present a general recipe to measure MI, which unfolds in two directions: one uses conditional diffusion process, whereas the other uses joint diffusion processes that allow simultaneous modelling of two random variables. Our results, which derive from a thorough experimental protocol over all the variants of our approach, indicate that our method is more accurate than the main alternatives from the literature, especially for challenging distributions. Furthermore, our methods pass MI self-consistency tests, including data processing and additivity under independence, which instead are a pain-point of existing methods.

We present a framework for using transformer networks as universal computers by programming them with specific weights and placing them in a loop. Our input sequence acts as a punchcard, consisting of instructions and memory for data read/writes. We demonstrate that a constant number of encoder layers can emulate basic computing blocks, including embedding edit operations, non-linear functions, function calls, program counters, and conditional branches. Using these building blocks, we emulate a small instruction-set computer. This allows us to map iterative algorithms to programs that can be executed by a looped, 13-layer transformer. We show how this transformer, instructed by its input, can emulate a basic calculator, a basic linear algebra library, and in-context learning algorithms that employ backpropagation. Our work highlights the versatility of the attention mechanism, and demonstrates that even shallow transformers can execute full-fledged, general-purpose programs.

Deep learning yields great results across many fields, from speech recognition, image classification, to translation. But for each problem, getting a deep model to work well involves research into the architecture and a long period of tuning. We present a single model that yields good results on a number of problems spanning multiple domains. In particular, this single model is trained concurrently on ImageNet, multiple translation tasks, image captioning (COCO dataset), a speech recognition corpus, and an English parsing task. Our model architecture incorporates building blocks from multiple domains. It contains convolutional layers, an attention mechanism, and sparsely-gated layers. Each of these computational blocks is crucial for a subset of the tasks we train on. Interestingly, even if a block is not crucial for a task, we observe that adding it never hurts performance and in most cases improves it on all tasks. We also show that tasks with less data benefit largely from joint training with other tasks, while performance on large tasks degrades only slightly if at all.

Context: The software maintenance phase involves many activities such as code refactoring, bug fixing, code review or testing. Program comprehension is key to all these activities, as it demands developers to grasp the knowledge (e.g., implementation details) required to modify the codebase. Methods as main building blocks in a program can offer developers this knowledge source for code comprehension. However, reading entire method statements can be challenging, which necessitates precise and up-to-date comments. Objective: We propose a solution as an IntelliJ IDEA plugin, named SmartDoc, that assists developers in generating context-aware method comments. Method: This plugin acts as an Artificial Intelligence (AI) agent that has its own memory and is augmented by target methods' context. When a request is initiated by the end-user, the method content and all its nested method calls are used in the comment generation. At the beginning, these nested methods are visited and a call graph is generated. This graph is then traversed using depth-first search (DFS), enabling the provision of full-context to enrich Large Language Model (LLM) prompts. Result: The product is a software, as a plugin, developed for Java codebase and installable on IntelliJ IDEA. This plugin can serve concurrently for methods whose comments are being updated , and it shares memory across all flows to avoid redundant calls. o measure the accuracy of this solution, a dedicated test case is run to record SmartDoc generated comments and their corresponding ground truth. For each collected result-set, three metrics are computed, BERTScore, BLEU and ROUGE-1. These metrics will determine how accurate the generated comments are in comparison to the ground truth. Result: The obtained accuracy, in terms of the precision, recall and F1, is promising, and lies in the range of 0.80 to 0.90 for BERTScore.

We contribute a theoretical and operational framework for neurosymbolic AI called DeepLog. DeepLog introduces building blocks and primitives for neurosymbolic AI that make abstraction of commonly used representations and computational mechanisms used in neurosymbolic AI. DeepLog can represent and emulate a wide range of neurosymbolic systems. It consists of two key components. The first is the DeepLog language for specifying neurosymbolic models and inference tasks. This language consists of an annotated neural extension of grounded first-order logic, and makes abstraction of the type of logic, e.g. boolean, fuzzy or probabilistic, and whether logic is used in the architecture or in the loss function. The second DeepLog component is situated at the computational level and uses extended algebraic circuits as computational graphs. Together these two components are to be considered as a neurosymbolic abstract machine, with the DeepLog language as the intermediate level of abstraction and the circuits level as the computational one. DeepLog is implemented in software, relies on the latest insights in implementing algebraic circuits on GPUs, and is declarative in that it is easy to obtain different neurosymbolic models by making different choices for the underlying algebraic structures and logics. The generality and efficiency of the DeepLog neurosymbolic machine is demonstrated through an experimental comparison between 1) different fuzzy and probabilistic logics, 2) between using logic in the architecture or in the loss function, and 3) between a standalone CPU-based implementation of a neurosymbolic AI system and a DeepLog GPU-based one.

AI agents are emerging as a dominant workload in a wide range of applications, promising to be the vehicle that delivers the promised benefits of AI to enterprises and consumers. Unlike conventional software or static inference, agentic workloads are dynamic and structurally complex. Often these agents are directed graphs of compute and IO operations that span multi-modal data input and conversion), data processing and context gathering (e.g vector DB lookups), multiple LLM inferences, tool calls, etc. To scale AI agent usage, we need efficient and scalable deployment and agent-serving infrastructure. To tackle this challenge, in this paper, we present a system design for dynamic orchestration of AI agent workloads on heterogeneous compute infrastructure spanning CPUs and accelerators, both from different vendors and across different performance tiers within a single vendor. The system delivers several building blocks: a framework for planning and optimizing agentic AI execution graphs using cost models that account for compute, memory, and bandwidth constraints of different HW; a MLIR based representation and compilation system that can decompose AI agent execution graphs into granular operators and generate code for different HW options; and a dynamic orchestration system that can place the granular components across a heterogeneous compute infrastructure and stitch them together while meeting an end-to-end SLA. Our design performs a systems level TCO optimization and preliminary results show that leveraging a heterogeneous infrastructure can deliver significant TCO benefits. A preliminary surprising finding is that for some workloads a heterogeneous combination of older generation GPUs with newer accelerators can deliver similar TCO as the latest generation homogenous GPU infrastructure design, potentially extending the life of deployed infrastructure.

Citations are essential building blocks in scientific writing. The scientific community is longing for support in their generation. Citation generation involves two complementary subtasks: Determining the citation worthiness of a context and, if it's worth it, proposing the best candidate papers for the citation placeholder. The latter subtask is called local citation recommendation (LCR). This paper proposes CiteBART, a custom BART pre-training based on citation token masking to generate citations to achieve LCR. In the base scheme, we mask the citation token in the local citation context to make the citation prediction. In the global one, we concatenate the citing paper's title and abstract to the local citation context to learn to reconstruct the citation token. CiteBART outperforms state-of-the-art approaches on the citation recommendation benchmarks except for the smallest FullTextPeerRead dataset. The effect is significant in the larger benchmarks, e.g., Refseer and ArXiv. We present a qualitative analysis and an ablation study to provide insights into the workings of CiteBART. Our analyses confirm that its generative nature brings about a zero-shot capability.

The landscape of computational building blocks of efficient image restoration architectures is dominated by a combination of convolutional processing and various attention mechanisms. However, convolutional filters, while efficient, are inherently local and therefore struggle with modeling long-range dependencies in images. In contrast, attention excels at capturing global interactions between arbitrary image regions, but suffers from a quadratic cost in image dimension. In this work, we propose Serpent, an efficient architecture for high-resolution image restoration that combines recent advances in state space models (SSMs) with multi-scale signal processing in its core computational block. SSMs, originally introduced for sequence modeling, can maintain a global receptive field with a favorable linear scaling in input size. We propose a novel hierarchical architecture inspired by traditional signal processing principles, that converts the input image into a collection of sequences and processes them in a multi-scale fashion. Our experimental results demonstrate that Serpent can achieve reconstruction quality on par with state-of-the-art techniques, while requiring orders of magnitude less compute (up to 150 fold reduction in FLOPS) and a factor of up to 5times less GPU memory while maintaining a compact model size. The efficiency gains achieved by Serpent are especially notable at high image resolutions.

Data visualization in the form of charts plays a pivotal role in data analysis, offering critical insights and aiding in informed decision-making. Automatic chart understanding has witnessed significant advancements with the rise of large foundation models in recent years. Foundation models, such as large language models, have revolutionized various natural language processing tasks and are increasingly being applied to chart understanding tasks. This survey paper provides a comprehensive overview of the recent developments, challenges, and future directions in chart understanding within the context of these foundation models. We review fundamental building blocks crucial for studying chart understanding tasks. Additionally, we explore various tasks and their evaluation metrics and sources of both charts and textual inputs. Various modeling strategies are then examined, encompassing both classification-based and generation-based approaches, along with tool augmentation techniques that enhance chart understanding performance. Furthermore, we discuss the state-of-the-art performance of each task and discuss how we can improve the performance. Challenges and future directions are addressed, highlighting the importance of several topics, such as domain-specific charts, lack of efforts in developing evaluation metrics, and agent-oriented settings. This survey paper serves as a comprehensive resource for researchers and practitioners in the fields of natural language processing, computer vision, and data analysis, providing valuable insights and directions for future research in chart understanding leveraging large foundation models. The studies mentioned in this paper, along with emerging new research, will be continually updated at: https://github.com/khuangaf/Awesome-Chart-Understanding.

The ability to provide fine-grained control for generating and editing visual imagery has profound implications for computer vision and its applications. Previous works have explored extending controllability in two directions: instruction tuning with text-based prompts and multi-modal conditioning. However, these works make one or more unnatural assumptions on the number and/or type of modality inputs used to express controllability. We propose InstructAny2Pix, a flexible multi-modal instruction-following system that enables users to edit an input image using instructions involving audio, images, and text. InstructAny2Pix consists of three building blocks that facilitate this capability: a multi-modal encoder that encodes different modalities such as images and audio into a unified latent space, a diffusion model that learns to decode representations in this latent space into images, and a multi-modal LLM that can understand instructions involving multiple images and audio pieces and generate a conditional embedding of the desired output, which can be used by the diffusion decoder. Additionally, to facilitate training efficiency and improve generation quality, we include an additional refinement prior module that enhances the visual quality of LLM outputs. These designs are critical to the performance of our system. We demonstrate that our system can perform a series of novel instruction-guided editing tasks. The code is available at https://github.com/jacklishufan/InstructAny2Pix.git

Reliable neural networks (NNs) provide important inference-time reliability guarantees such as fairness and robustness. Complementarily, privacy-preserving NN inference protects the privacy of client data. So far these two emerging areas have been largely disconnected, yet their combination will be increasingly important. In this work, we present the first system which enables privacy-preserving inference on reliable NNs. Our key idea is to design efficient fully homomorphic encryption (FHE) counterparts for the core algorithmic building blocks of randomized smoothing, a state-of-the-art technique for obtaining reliable models. The lack of required control flow in FHE makes this a demanding task, as na\"ive solutions lead to unacceptable runtime. We employ these building blocks to enable privacy-preserving NN inference with robustness and fairness guarantees in a system called Phoenix. Experimentally, we demonstrate that Phoenix achieves its goals without incurring prohibitive latencies. To our knowledge, this is the first work which bridges the areas of client data privacy and reliability guarantees for NNs.

Pooling layers are essential building blocks of convolutional neural networks (CNNs), to reduce computational overhead and increase the receptive fields of proceeding convolutional operations. Their goal is to produce downsampled volumes that closely resemble the input volume while, ideally, also being computationally and memory efficient. Meeting both these requirements remains a challenge. To this end, we propose an adaptive and exponentially weighted pooling method: adaPool. Our method learns a regional-specific fusion of two sets of pooling kernels that are based on the exponent of the Dice-Sorensen coefficient and the exponential maximum, respectively. AdaPool improves the preservation of detail on a range of tasks including image and video classification and object detection. A key property of adaPool is its bidirectional nature. In contrast to common pooling methods, the learned weights can also be used to upsample activation maps. We term this method adaUnPool. We evaluate adaUnPool on image and video super-resolution and frame interpolation. For benchmarking, we introduce Inter4K, a novel high-quality, high frame-rate video dataset. Our experiments demonstrate that adaPool systematically achieves better results across tasks and backbones, while introducing a minor additional computational and memory overhead.

Summaries generated from medical conversations can improve recall and understanding of care plans for patients and reduce documentation burden for doctors. Recent advancements in automatic speech recognition (ASR) and natural language understanding (NLU) offer potential solutions to generate these summaries automatically, but rigorous quantitative baselines for benchmarking research in this domain are lacking. In this paper, we bridge this gap for two tasks: classifying utterances from medical conversations according to (i) the SOAP section and (ii) the speaker role. Both are fundamental building blocks along the path towards an end-to-end, automated SOAP note for medical conversations. We provide details on a dataset that contains human and ASR transcriptions of medical conversations and corresponding machine learning optimized SOAP notes. We then present a systematic analysis in which we adapt an existing deep learning architecture to the two aforementioned tasks. The results suggest that modelling context in a hierarchical manner, which captures both word and utterance level context, yields substantial improvements on both classification tasks. Additionally, we develop and analyze a modular method for adapting our model to ASR output.

Convolutional neural networks typically encode an input image into a series of intermediate features with decreasing resolutions. While this structure is suited to classification tasks, it does not perform well for tasks requiring simultaneous recognition and localization (e.g., object detection). The encoder-decoder architectures are proposed to resolve this by applying a decoder network onto a backbone model designed for classification tasks. In this paper, we argue encoder-decoder architecture is ineffective in generating strong multi-scale features because of the scale-decreased backbone. We propose SpineNet, a backbone with scale-permuted intermediate features and cross-scale connections that is learned on an object detection task by Neural Architecture Search. Using similar building blocks, SpineNet models outperform ResNet-FPN models by ~3% AP at various scales while using 10-20% fewer FLOPs. In particular, SpineNet-190 achieves 52.5% AP with a MaskR-CNN detector and achieves 52.1% AP with a RetinaNet detector on COCO for a single model without test-time augmentation, significantly outperforms prior art of detectors. SpineNet can transfer to classification tasks, achieving 5% top-1 accuracy improvement on a challenging iNaturalist fine-grained dataset. Code is at: https://github.com/tensorflow/tpu/tree/master/models/official/detection.

Cancer is a complex disease, the understanding and treatment of which are being aided through increases in the volume of collected data and in the scale of deployed computing power. Consequently, there is a growing need for the development of data-driven and, in particular, deep learning methods for various tasks such as cancer diagnosis, detection, prognosis, and prediction. Despite recent successes, however, designing high-performing deep learning models for nonimage and nontext cancer data is a time-consuming, trial-and-error, manual task that requires both cancer domain and deep learning expertise. To that end, we develop a reinforcement-learning-based neural architecture search to automate deep-learning-based predictive model development for a class of representative cancer data. We develop custom building blocks that allow domain experts to incorporate the cancer-data-specific characteristics. We show that our approach discovers deep neural network architectures that have significantly fewer trainable parameters, shorter training time, and accuracy similar to or higher than those of manually designed architectures. We study and demonstrate the scalability of our approach on up to 1,024 Intel Knights Landing nodes of the Theta supercomputer at the Argonne Leadership Computing Facility.

We present a modular semantic account of Bayesian inference algorithms for probabilistic programming languages, as used in data science and machine learning. Sophisticated inference algorithms are often explained in terms of composition of smaller parts. However, neither their theoretical justification nor their implementation reflects this modularity. We show how to conceptualise and analyse such inference algorithms as manipulating intermediate representations of probabilistic programs using higher-order functions and inductive types, and their denotational semantics. Semantic accounts of continuous distributions use measurable spaces. However, our use of higher-order functions presents a substantial technical difficulty: it is impossible to define a measurable space structure over the collection of measurable functions between arbitrary measurable spaces that is compatible with standard operations on those functions, such as function application. We overcome this difficulty using quasi-Borel spaces, a recently proposed mathematical structure that supports both function spaces and continuous distributions. We define a class of semantic structures for representing probabilistic programs, and semantic validity criteria for transformations of these representations in terms of distribution preservation. We develop a collection of building blocks for composing representations. We use these building blocks to validate common inference algorithms such as Sequential Monte Carlo and Markov Chain Monte Carlo. To emphasize the connection between the semantic manipulation and its traditional measure theoretic origins, we use Kock's synthetic measure theory. We demonstrate its usefulness by proving a quasi-Borel counterpart to the Metropolis-Hastings-Green theorem.

As a direct consequence of the no-cloning theorem, the deterministic amplification as in classical communication is impossible for quantum states. This calls for more advanced techniques in a future global quantum network, e.g. for cloud quantum computing. A unique solution is the teleportation of an entangled state, i.e. entanglement swapping, representing the central resource to relay entanglement between distant nodes. Together with entanglement purification and a quantum memory it constitutes a so-called quantum repeater. Since the aforementioned building blocks have been individually demonstrated in laboratory setups only, the applicability of the required technology in real-world scenarios remained to be proven. Here we present a free-space entanglement-swapping experiment between the Canary Islands of La Palma and Tenerife, verifying the presence of quantum entanglement between two previously independent photons separated by 143 km. We obtained an expectation value for the entanglement-witness operator, more than 6 standard deviations beyond the classical limit. By consecutive generation of the two required photon pairs and space-like separation of the relevant measurement events, we also showed the feasibility of the swapping protocol in a long-distance scenario, where the independence of the nodes is highly demanded. Since our results already allow for efficient implementation of entanglement purification, we anticipate our assay to lay the ground for a fully-fledged quantum repeater over a realistic high-loss and even turbulent quantum channel.

We present SWE-Lego, a supervised fine-tuning (SFT) recipe designed to achieve state-ofthe-art performance in software engineering (SWE) issue resolving. In contrast to prevalent methods that rely on complex training paradigms (e.g., mid-training, SFT, reinforcement learning, and their combinations), we explore how to push the limits of a lightweight SFT-only approach for SWE tasks. SWE-Lego comprises three core building blocks, with key findings summarized as follows: 1) the SWE-Lego dataset, a collection of 32k highquality task instances and 18k validated trajectories, combining real and synthetic data to complement each other in both quality and quantity; 2) a refined SFT procedure with error masking and a difficulty-based curriculum, which demonstrably improves action quality and overall performance. Empirical results show that with these two building bricks alone,the SFT can push SWE-Lego models to state-of-the-art performance among open-source models of comparable size on SWE-bench Verified: SWE-Lego-Qwen3-8B reaches 42.2%, and SWE-Lego-Qwen3-32B attains 52.6%. 3) We further evaluate and improve test-time scaling (TTS) built upon the SFT foundation. Based on a well-trained verifier, SWE-Lego models can be significantly boosted--for example, 42.2% to 49.6% and 52.6% to 58.8% under TTS@16 for the 8B and 32B models, respectively.

The rapid progress of multimodal large language models (MLLM) has paved the way for Vision-Language-Action (VLA) paradigms, which integrate visual perception, natural language understanding, and control within a single policy. Researchers in autonomous driving are actively adapting these methods to the vehicle domain. Such models promise autonomous vehicles that can interpret high-level instructions, reason about complex traffic scenes, and make their own decisions. However, the literature remains fragmented and is rapidly expanding. This survey offers the first comprehensive overview of VLA for Autonomous Driving (VLA4AD). We (i) formalize the architectural building blocks shared across recent work, (ii) trace the evolution from early explainer to reasoning-centric VLA models, and (iii) compare over 20 representative models according to VLA's progress in the autonomous driving domain. We also consolidate existing datasets and benchmarks, highlighting protocols that jointly measure driving safety, accuracy, and explanation quality. Finally, we detail open challenges - robustness, real-time efficiency, and formal verification - and outline future directions of VLA4AD. This survey provides a concise yet complete reference for advancing interpretable socially aligned autonomous vehicles. Github repo is available at https://github.com/JohnsonJiang1996/Awesome-VLA4AD{SicongJiang/Awesome-VLA4AD}.

Advanced AI models hold the promise of tremendous benefits for humanity, but society needs to proactively manage the accompanying risks. In this paper, we focus on what we term "frontier AI" models: highly capable foundation models that could possess dangerous capabilities sufficient to pose severe risks to public safety. Frontier AI models pose a distinct regulatory challenge: dangerous capabilities can arise unexpectedly; it is difficult to robustly prevent a deployed model from being misused; and, it is difficult to stop a model's capabilities from proliferating broadly. To address these challenges, at least three building blocks for the regulation of frontier models are needed: (1) standard-setting processes to identify appropriate requirements for frontier AI developers, (2) registration and reporting requirements to provide regulators with visibility into frontier AI development processes, and (3) mechanisms to ensure compliance with safety standards for the development and deployment of frontier AI models. Industry self-regulation is an important first step. However, wider societal discussions and government intervention will be needed to create standards and to ensure compliance with them. We consider several options to this end, including granting enforcement powers to supervisory authorities and licensure regimes for frontier AI models. Finally, we propose an initial set of safety standards. These include conducting pre-deployment risk assessments; external scrutiny of model behavior; using risk assessments to inform deployment decisions; and monitoring and responding to new information about model capabilities and uses post-deployment. We hope this discussion contributes to the broader conversation on how to balance public safety risks and innovation benefits from advances at the frontier of AI development.

Attention heads are one of the building blocks of large language models (LLMs). Prior work on investigating their operation mostly focused on analyzing their behavior during inference for specific circuits or tasks. In this work, we seek a comprehensive mapping of the operations they implement in a model. We propose MAPS (Mapping Attention head ParameterS), an efficient framework that infers the functionality of attention heads from their parameters, without any model training or inference. We showcase the utility of MAPS for answering two types of questions: (a) given a predefined operation, mapping how strongly heads across the model implement it, and (b) given an attention head, inferring its salient functionality. Evaluating MAPS on 20 operations across 6 popular LLMs shows its estimations correlate with the head's outputs during inference and are causally linked to the model's predictions. Moreover, its mappings reveal attention heads of certain operations that were overlooked in previous studies, and valuable insights on function universality and architecture biases in LLMs. Next, we present an automatic pipeline and analysis that leverage MAPS to characterize the salient operations of a given head. Our pipeline produces plausible operation descriptions for most heads, as assessed by human judgment, while revealing diverse operations.

Neural audio codecs form the foundational building blocks for language model (LM)-based speech generation. Typically, there is a trade-off between frame rate and audio quality. This study introduces a low-frame-rate, semantically enhanced codec model. Existing approaches distill semantically rich self-supervised (SSL) representations into the first-layer codec tokens. This work proposes DualCodec, a dual-stream encoding approach that integrates SSL and waveform representations within an end-to-end codec framework. In this setting, DualCodec enhances the semantic information in the first-layer codec and enables the codec system to maintain high audio quality while operating at a low frame rate. Note that a low-frame-rate codec improves the efficiency of speech generation. Experimental results on audio codec and speech generation tasks confirm the effectiveness of the proposed DualCodec compared to state-of-the-art codec systems, such as Mimi Codec, SpeechTokenizer, DAC, and Encodec. Demos and codes are available at: https://dualcodec.github.io

As the size of deep learning models continues to grow, finding optimal models under memory and computation constraints becomes increasingly more important. Although usually the architecture and constituent building blocks of neural networks allow them to be used in a modular way, their training process is not aware of this modularity. Consequently, conventional neural network training lacks the flexibility to adapt the computational load of the model during inference. This paper proposes SortedNet, a generalized and scalable solution to harness the inherent modularity of deep neural networks across various dimensions for efficient dynamic inference. Our training considers a nested architecture for the sub-models with shared parameters and trains them together with the main model in a sorted and probabilistic manner. This sorted training of sub-networks enables us to scale the number of sub-networks to hundreds using a single round of training. We utilize a novel updating scheme during training that combines random sampling of sub-networks with gradient accumulation to improve training efficiency. Furthermore, the sorted nature of our training leads to a search-free sub-network selection at inference time; and the nested architecture of the resulting sub-networks leads to minimal storage requirement and efficient switching between sub-networks at inference. Our general dynamic training approach is demonstrated across various architectures and tasks, including large language models and pre-trained vision models. Experimental results show the efficacy of the proposed approach in achieving efficient sub-networks while outperforming state-of-the-art dynamic training approaches. Our findings demonstrate the feasibility of training up to 160 different sub-models simultaneously, showcasing the extensive scalability of our proposed method while maintaining 96% of the model performance.

PyTorch has ascended as a premier machine learning framework, yet it lacks a native and comprehensive library for decision and control tasks suitable for large development teams dealing with complex real-world data and environments. To address this issue, we propose TorchRL, a generalistic control library for PyTorch that provides well-integrated, yet standalone components. We introduce a new and flexible PyTorch primitive, the TensorDict, which facilitates streamlined algorithm development across the many branches of Reinforcement Learning (RL) and control. We provide a detailed description of the building blocks and an extensive overview of the library across domains and tasks. Finally, we experimentally demonstrate its reliability and flexibility and show comparative benchmarks to demonstrate its computational efficiency. TorchRL fosters long-term support and is publicly available on GitHub for greater reproducibility and collaboration within the research community. The code is open-sourced on GitHub.

Group equivariant neural networks are used as building blocks of group invariant neural networks, which have been shown to improve generalisation performance and data efficiency through principled parameter sharing. Such works have mostly focused on group equivariant convolutions, building on the result that group equivariant linear maps are necessarily convolutions. In this work, we extend the scope of the literature to self-attention, that is emerging as a prominent building block of deep learning models. We propose the LieTransformer, an architecture composed of LieSelfAttention layers that are equivariant to arbitrary Lie groups and their discrete subgroups. We demonstrate the generality of our approach by showing experimental results that are competitive to baseline methods on a wide range of tasks: shape counting on point clouds, molecular property regression and modelling particle trajectories under Hamiltonian dynamics.

Complex hierarchical structures composed of simple nanoscale building blocks form the basis of most biological materials. Here we demonstrate how analogies between seemingly different fields enable the understanding of general principles by which functional properties in hierarchical systems emerge, similar to an analogy learning process. Specifically, natural hierarchical materials like spider silk exhibit properties comparable to classical music in terms of their hierarchical structure and function. As a comparative tool here we apply hierarchical ontology logs (olog) that follow a rigorous mathematical formulation based on category theory to provide an insightful system representation by expressing knowledge in a conceptual map. We explain the process of analogy creation, draw connections at several levels of hierarchy and identify similar patterns that govern the structure of the hierarchical systems silk and music and discuss the impact of the derived analogy for nanotechnology.

In-Context Learning (ICL) enables transformer-based language models to adapt to new tasks by conditioning on demonstration examples. However, traditional example-driven in-context learning lacks explicit modules for knowledge retrieval and transfer at the abstraction level. Inspired by cognitive science, specifically schema theory, which holds that humans interpret new information by activating pre-existing mental frameworks (schemas) to structure understanding, we introduce SCHEMA ACTIVATED IN CONTEXT LEARNING (SA-ICL). This framework extracts the representation of the building blocks of cognition for the reasoning process instilled from prior examples, creating an abstracted schema, a lightweight, structured template of key inferential steps and their relationships, which is then used to augment a model's reasoning process when presented with a novel question. We demonstrate that a broad range of large language models (LLMs) lack the capacity to form and utilize internal schema-based learning representations implicitly, but instead benefit significantly from explicit schema-based scaffolding. Across chemistry and physics questions from the GPQA dataset, our experiments show that SA-ICL consistently boosts performance, up to 36.19 percent, when the single demonstration example is of high quality, which simultaneously reduces reliance on the number of demonstrations and enhances interpretability. SCHEMA ACTIVATED IN CONTEXT LEARNING not only bridges disparate ICL strategies ranging from pattern priming to Chain-of-Thought prompting, but also paves a new path for enhancing human-like reasoning in LLMs.

Carbon nanotubes (CNTs) are critical building blocks in nanotechnology, yet the characterization of their dynamic growth is limited by the experimental challenges in nanoscale motion measurement using scanning electron microscopy (SEM) imaging. Existing ex situ methods offer only static analysis, while in situ techniques often require manual initialization and lack continuous per-particle trajectory decomposition. We present Visual Feature Tracking (VFTrack) an in-situ real-time particle tracking framework that automatically detects and tracks individual CNT particles in SEM image sequences. VFTrack integrates handcrafted or deep feature detectors and matchers within a particle tracking framework to enable kinematic analysis of CNT micropillar growth. A systematic using 13,540 manually annotated trajectories identifies the ALIKED detector with LightGlue matcher as an optimal combination (F1-score of 0.78, alpha-score of 0.89). VFTrack motion vectors decomposed into axial growth, lateral drift, and oscillations, facilitate the calculation of heterogeneous regional growth rates and the reconstruction of evolving CNT pillar morphologies. This work enables advancement in automated nano-material characterization, bridging the gap between physics-based models and experimental observation to enable real-time optimization of CNT synthesis.

World models serve as essential building blocks toward Artificial General Intelligence (AGI), enabling intelligent agents to predict future states and plan actions by simulating complex physical interactions. However, existing interactive models primarily predict visual observations, thereby neglecting crucial hidden states like geometric structures and spatial coherence. This leads to rapid error accumulation and temporal inconsistency. To address these limitations, we introduce DeepVerse, a novel 4D interactive world model explicitly incorporating geometric predictions from previous timesteps into current predictions conditioned on actions. Experiments demonstrate that by incorporating explicit geometric constraints, DeepVerse captures richer spatio-temporal relationships and underlying physical dynamics. This capability significantly reduces drift and enhances temporal consistency, enabling the model to reliably generate extended future sequences and achieve substantial improvements in prediction accuracy, visual realism, and scene rationality. Furthermore, our method provides an effective solution for geometry-aware memory retrieval, effectively preserving long-term spatial consistency. We validate the effectiveness of DeepVerse across diverse scenarios, establishing its capacity for high-fidelity, long-horizon predictions grounded in geometry-aware dynamics.

Multi-hop query answering over a Knowledge Graph (KG) involves traversing one or more hops from the start node to answer a query. Path-based and logic-based methods are state-of-the-art for multi-hop question answering. The former is used in link prediction tasks. The latter is for answering complex logical queries. The logical multi-hop querying technique embeds the KG and queries in the same embedding space. The existing work incorporates First Order Logic (FOL) operators, such as conjunction (wedge), disjunction (vee), and negation (neg), in queries. Though current models have most of the building blocks to execute the FOL queries, they cannot use the dense information of multi-modal entities in the case of Multi-Modal Knowledge Graphs (MMKGs). We propose RConE, an embedding method to capture the multi-modal information needed to answer a query. The model first shortlists candidate (multi-modal) entities containing the answer. It then finds the solution (sub-entities) within those entities. Several existing works tackle path-based question-answering in MMKGs. However, to our knowledge, we are the first to introduce logical constructs in querying MMKGs and to answer queries that involve sub-entities of multi-modal entities as the answer. Extensive evaluation of four publicly available MMKGs indicates that RConE outperforms the current state-of-the-art.

We present an open-source, pip installable toolkit, Sig-Networks, the first of its kind for longitudinal language modelling. A central focus is the incorporation of Signature-based Neural Network models, which have recently shown success in temporal tasks. We apply and extend published research providing a full suite of signature-based models. Their components can be used as PyTorch building blocks in future architectures. Sig-Networks enables task-agnostic dataset plug-in, seamless pre-processing for sequential data, parameter flexibility, automated tuning across a range of models. We examine signature networks under three different NLP tasks of varying temporal granularity: counselling conversations, rumour stance switch and mood changes in social media threads, showing SOTA performance in all three, and provide guidance for future tasks. We release the Toolkit as a PyTorch package with an introductory video, Git repositories for preprocessing and modelling including sample notebooks on the modeled NLP tasks.

Normalization layers are one of the key building blocks for deep neural networks. Several theoretical studies have shown that batch normalization improves the signal propagation, by avoiding the representations from becoming collinear across the layers. However, results on mean-field theory of batch normalization also conclude that this benefit comes at the expense of exploding gradients in depth. Motivated by these two aspects of batch normalization, in this study we pose the following question: "Can a batch-normalized network keep the optimal signal propagation properties, but avoid exploding gradients?" We answer this question in the affirmative by giving a particular construction of an Multi-Layer Perceptron (MLP) with linear activations and batch-normalization that provably has bounded gradients at any depth. Based on Weingarten calculus, we develop a rigorous and non-asymptotic theory for this constructed MLP that gives a precise characterization of forward signal propagation, while proving that gradients remain bounded for linearly independent input samples, which holds in most practical settings. Inspired by our theory, we also design an activation shaping scheme that empirically achieves the same properties for certain non-linear activations.

The adoption of Deep Neural Networks (DNNs) has greatly benefited Natural Language Processing (NLP) during the past decade. However, the demands of long document analysis are quite different from those of shorter texts, while the ever increasing size of documents uploaded on-line renders automated understanding of lengthy texts a critical issue. Relevant applications include automated Web mining, legal document review, medical records analysis, financial reports analysis, contract management, environmental impact assessment, news aggregation, etc. Despite the relatively recent development of efficient algorithms for analyzing long documents, practical tools in this field are currently flourishing. This article serves as an entry point into this dynamic domain and aims to achieve two objectives. Firstly, it provides an overview of the relevant neural building blocks, serving as a concise tutorial for the field. Secondly, it offers a brief examination of the current state-of-the-art in long document NLP, with a primary focus on two key tasks: document classification and document summarization. Sentiment analysis for long texts is also covered, since it is typically treated as a particular case of document classification. Consequently, this article presents an introductory exploration of document-level analysis, addressing the primary challenges, concerns, and existing solutions. Finally, the article presents publicly available annotated datasets that can facilitate further research in this area.

Forecasting future events based on evidence of current conditions is an innate skill of human beings, and key for predicting the outcome of any decision making. In artificial vision for example, we would like to predict the next human action before it happens, without observing the future video frames associated to it. Computer vision models for action anticipation are expected to collect the subtle evidence in the preamble of the target actions. In prior studies recurrence modeling often leads to better performance, the strong temporal inference is assumed to be a key element for reasonable prediction. To this end, we propose a unified recurrence modeling for video action anticipation via message passing framework. The information flow in space-time can be described by the interaction between vertices and edges, and the changes of vertices for each incoming frame reflects the underlying dynamics. Our model leverages self-attention as the building blocks for each of the message passing functions. In addition, we introduce different edge learning strategies that can be end-to-end optimized to gain better flexibility for the connectivity between vertices. Our experimental results demonstrate that our proposed method outperforms previous works on the large-scale EPIC-Kitchen dataset.

Trainable layers such as convolutional building blocks are the standard network design choices by learning parameters to capture the global context through successive spatial operations. When designing an efficient network, trainable layers such as the depthwise convolution is the source of efficiency in the number of parameters and FLOPs, but there was little improvement to the model speed in practice. This paper argues that simple built-in parameter-free operations can be a favorable alternative to the efficient trainable layers replacing spatial operations in a network architecture. We aim to break the stereotype of organizing the spatial operations of building blocks into trainable layers. Extensive experimental analyses based on layer-level studies with fully-trained models and neural architecture searches are provided to investigate whether parameter-free operations such as the max-pool are functional. The studies eventually give us a simple yet effective idea for redesigning network architectures, where the parameter-free operations are heavily used as the main building block without sacrificing the model accuracy as much. Experimental results on the ImageNet dataset demonstrate that the network architectures with parameter-free operations could enjoy the advantages of further efficiency in terms of model speed, the number of the parameters, and FLOPs. Code and ImageNet pretrained models are available at https://github.com/naver-ai/PfLayer.

An effective person re-identification (re-ID) model should learn feature representations that are both discriminative, for distinguishing similar-looking people, and generalisable, for deployment across datasets without any adaptation. In this paper, we develop novel CNN architectures to address both challenges. First, we present a re-ID CNN termed omni-scale network (OSNet) to learn features that not only capture different spatial scales but also encapsulate a synergistic combination of multiple scales, namely omni-scale features. The basic building block consists of multiple convolutional streams, each detecting features at a certain scale. For omni-scale feature learning, a unified aggregation gate is introduced to dynamically fuse multi-scale features with channel-wise weights. OSNet is lightweight as its building blocks comprise factorised convolutions. Second, to improve generalisable feature learning, we introduce instance normalisation (IN) layers into OSNet to cope with cross-dataset discrepancies. Further, to determine the optimal placements of these IN layers in the architecture, we formulate an efficient differentiable architecture search algorithm. Extensive experiments show that, in the conventional same-dataset setting, OSNet achieves state-of-the-art performance, despite being much smaller than existing re-ID models. In the more challenging yet practical cross-dataset setting, OSNet beats most recent unsupervised domain adaptation methods without using any target data. Our code and models are released at https://github.com/KaiyangZhou/deep-person-reid.

Convolutional layers are one of the basic building blocks of modern deep neural networks. One fundamental assumption is that convolutional kernels should be shared for all examples in a dataset. We propose conditionally parameterized convolutions (CondConv), which learn specialized convolutional kernels for each example. Replacing normal convolutions with CondConv enables us to increase the size and capacity of a network, while maintaining efficient inference. We demonstrate that scaling networks with CondConv improves the performance and inference cost trade-off of several existing convolutional neural network architectures on both classification and detection tasks. On ImageNet classification, our CondConv approach applied to EfficientNet-B0 achieves state-of-the-art performance of 78.3% accuracy with only 413M multiply-adds. Code and checkpoints for the CondConv Tensorflow layer and CondConv-EfficientNet models are available at: https://github.com/tensorflow/tpu/tree/master/models/official/efficientnet/condconv.

Both convolutional and recurrent operations are building blocks that process one local neighborhood at a time. In this paper, we present non-local operations as a generic family of building blocks for capturing long-range dependencies. Inspired by the classical non-local means method in computer vision, our non-local operation computes the response at a position as a weighted sum of the features at all positions. This building block can be plugged into many computer vision architectures. On the task of video classification, even without any bells and whistles, our non-local models can compete or outperform current competition winners on both Kinetics and Charades datasets. In static image recognition, our non-local models improve object detection/segmentation and pose estimation on the COCO suite of tasks. Code is available at https://github.com/facebookresearch/video-nonlocal-net .

We use new interior models of cold planets to investigate the mass-radius relationships of solid exoplanets, considering planets made primarily of iron, silicates, water, and carbon compounds. We find that the mass-radius relationships for cold terrestrial-mass planets of all compositions we considered follow a generic functional form that is not a simple power law: log_{10} R_s = k_1 + 1/3 log_{10}(M_s) - k_2 M_s^{k_3} for up to M_p approx 20 M_{oplus}, where M_s and R_s are scaled mass and radius values. This functional form arises because the common building blocks of solid planets all have equations of state that are well approximated by a modified polytrope of the form rho = rho_0 + c P^n. We find that highly detailed planet interior models, including temperature structure and phase changes, are not necessary to derive solid exoplanet bulk composition from mass and radius measurements. For solid exoplanets with no substantial atmosphere we have also found that: with 5% fractional uncertainty in planet mass and radius it is possible to distinguish among planets composed predominantly of iron or silicates or water ice but not more detailed compositions; with sim~5% uncertainty water ice planets with gtrsim 25% water by mass may be identified; the minimum plausible planet size for a given mass is that of a pure iron planet; and carbon planet mass-radius relationships overlap with those of silicate and water planets due to similar zero-pressure densities and equations of state. We propose a definition of "super Earths'' based on the clear distinction in radii between planets with significant gas envelopes and those without.

The use of artificial intelligence (AI) offers various possibilities to expand and support educational research. Specifically, the implementation of AI can be used to develop new frameworks to establish new research tools that accelerate and meaningfully expand the efficiency of data evaluation and interpretation (Buckingham Shum et al., 2023). This article presents the prototype of the FACTS-V1 (Filtering and Analysis of Content in Textual Sources) framework. With the help of the application, numerous scientific papers can be automatically extracted, analyzed and interpreted from open access document servers without having to rely on proprietary applications and their limitations. The FACTS-V1 prototype consists of three building blocks. The first part deals with the extraction of texts, the second with filtering and interpretation, and the last with the actual statistical evaluation (topic modeling) using an interactive overview. The aim of the framework is to provide recommendations for future scientific questions based on existing data. The functionality is illustrated by asking how the use of AI will change the education sector. The data used to answer the question comes from 82 scientific papers on the topic of AI from 2024. The papers are publicly available on the peDOCS document server of the Leibniz Institute for Educational Research and Educational Information.

Large Reasoning Models like DeepSeek-R1 mark a fundamental shift in how LLMs approach complex problems. Instead of directly producing an answer for a given input, DeepSeek-R1 creates detailed multi-step reasoning chains, seemingly "thinking" about a problem before providing an answer. This reasoning process is publicly available to the user, creating endless opportunities for studying the reasoning behaviour of the model and opening up the field of Thoughtology. Starting from a taxonomy of DeepSeek-R1's basic building blocks of reasoning, our analyses on DeepSeek-R1 investigate the impact and controllability of thought length, management of long or confusing contexts, cultural and safety concerns, and the status of DeepSeek-R1 vis-\`a-vis cognitive phenomena, such as human-like language processing and world modelling. Our findings paint a nuanced picture. Notably, we show DeepSeek-R1 has a 'sweet spot' of reasoning, where extra inference time can impair model performance. Furthermore, we find a tendency for DeepSeek-R1 to persistently ruminate on previously explored problem formulations, obstructing further exploration. We also note strong safety vulnerabilities of DeepSeek-R1 compared to its non-reasoning counterpart, which can also compromise safety-aligned LLMs.

Contrastive image-text models such as CLIP form the building blocks of many state-of-the-art systems. While they excel at recognizing common generic concepts, they still struggle on fine-grained entities which are rare, or even absent from the pre-training dataset. Hence, a key ingredient to their success has been the use of large-scale curated pre-training data aiming at expanding the set of concepts that they can memorize during the pre-training stage. In this work, we explore an alternative to encoding fine-grained knowledge directly into the model's parameters: we instead train the model to retrieve this knowledge from an external memory. Specifically, we propose to equip existing vision-text models with the ability to refine their embedding with cross-modal retrieved information from a memory at inference time, which greatly improves their zero-shot predictions. Remarkably, we show that this can be done with a light-weight, single-layer, fusion transformer on top of a frozen CLIP. Our experiments validate that our retrieval-enhanced contrastive (RECO) training improves CLIP performance substantially on several challenging fine-grained tasks: for example +10.9 on Stanford Cars, +10.2 on CUB-2011 and +7.3 on the recent OVEN benchmark.

Generative Artificial Intelligence (GenAI) is becoming ubiquitous in our daily lives. The increase in computational power and data availability has led to a proliferation of both single- and multi-modal models. As the GenAI ecosystem matures, the need for extensible and model-agnostic risk identification frameworks is growing. To meet this need, we introduce the Python Risk Identification Toolkit (PyRIT), an open-source framework designed to enhance red teaming efforts in GenAI systems. PyRIT is a model- and platform-agnostic tool that enables red teamers to probe for and identify novel harms, risks, and jailbreaks in multimodal generative AI models. Its composable architecture facilitates the reuse of core building blocks and allows for extensibility to future models and modalities. This paper details the challenges specific to red teaming generative AI systems, the development and features of PyRIT, and its practical applications in real-world scenarios.

To pursue the goal of creating an open-ended agent in Minecraft, an open-ended game environment with unlimited possibilities, this paper introduces a task-centric framework named MCU for Minecraft agent evaluation. The MCU framework leverages the concept of atom tasks as fundamental building blocks, enabling the generation of diverse or even arbitrary tasks. Within the MCU framework, each task is measured with six distinct difficulty scores (time consumption, operational effort, planning complexity, intricacy, creativity, novelty). These scores offer a multi-dimensional assessment of a task from different angles, and thus can reveal an agent's capability on specific facets. The difficulty scores also serve as the feature of each task, which creates a meaningful task space and unveils the relationship between tasks. For efficient evaluation of Minecraft agents employing the MCU framework, we maintain a unified benchmark, namely SkillForge, which comprises representative tasks with diverse categories and difficulty distribution. We also provide convenient filters for users to select tasks to assess specific capabilities of agents. We show that MCU has the high expressivity to cover all tasks used in recent literature on Minecraft agent, and underscores the need for advancements in areas such as creativity, precise control, and out-of-distribution generalization under the goal of open-ended Minecraft agent development.

Block coordinate descent (BCD) methods are widely used for large-scale numerical optimization because of their cheap iteration costs, low memory requirements, amenability to parallelization, and ability to exploit problem structure. Three main algorithmic choices influence the performance of BCD methods: the block partitioning strategy, the block selection rule, and the block update rule. In this paper we explore all three of these building blocks and propose variations for each that can significantly improve the progress made by each BCD iteration. We (i) propose new greedy block-selection strategies that guarantee more progress per iteration than the Gauss-Southwell rule; (ii) explore practical issues like how to implement the new rules when using "variable" blocks; (iii) explore the use of message-passing to compute matrix or Newton updates efficiently on huge blocks for problems with sparse dependencies between variables; and (iv) consider optimal active manifold identification, which leads to bounds on the "active-set complexity" of BCD methods and leads to superlinear convergence for certain problems with sparse solutions (and in some cases finite termination at an optimal solution). We support all of our findings with numerical results for the classic machine learning problems of least squares, logistic regression, multi-class logistic regression, label propagation, and L1-regularization.

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. mCLM, with only 3B parameters, 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").

Generative Flow Networks (GFlowNets) have recently emerged as a suitable framework for generating diverse and high-quality molecular structures by learning from rewards treated as unnormalized distributions. Previous works in this framework often restrict exploration by using predefined molecular fragments as building blocks, limiting the chemical space that can be accessed. In this work, we introduce Atomic GFlowNets (A-GFNs), a foundational generative model leveraging individual atoms as building blocks to explore drug-like chemical space more comprehensively. We propose an unsupervised pre-training approach using drug-like molecule datasets, which teaches A-GFNs about inexpensive yet informative molecular descriptors such as drug-likeliness, topological polar surface area, and synthetic accessibility scores. These properties serve as proxy rewards, guiding A-GFNs towards regions of chemical space that exhibit desirable pharmacological properties. We further implement a goal-conditioned finetuning process, which adapts A-GFNs to optimize for specific target properties. In this work, we pretrain A-GFN on a subset of ZINC dataset, and by employing robust evaluation metrics we show the effectiveness of our approach when compared to other relevant baseline methods for a wide range of drug design tasks. The code is accessible at https://github.com/diamondspark/AGFN.

We introduce a new task called Referring Atomic Video Action Recognition (RAVAR), aimed at identifying atomic actions of a particular person based on a textual description and the video data of this person. This task differs from traditional action recognition and localization, where predictions are delivered for all present individuals. In contrast, we focus on recognizing the correct atomic action of a specific individual, guided by text. To explore this task, we present the RefAVA dataset, containing 36,630 instances with manually annotated textual descriptions of the individuals. To establish a strong initial benchmark, we implement and validate baselines from various domains, e.g., atomic action localization, video question answering, and text-video retrieval. Since these existing methods underperform on RAVAR, we introduce RefAtomNet -- a novel cross-stream attention-driven method specialized for the unique challenges of RAVAR: the need to interpret a textual referring expression for the targeted individual, utilize this reference to guide the spatial localization and harvest the prediction of the atomic actions for the referring person. The key ingredients are: (1) a multi-stream architecture that connects video, text, and a new location-semantic stream, and (2) cross-stream agent attention fusion and agent token fusion which amplify the most relevant information across these streams and consistently surpasses standard attention-based fusion on RAVAR. Extensive experiments demonstrate the effectiveness of RefAtomNet and its building blocks for recognizing the action of the described individual. The dataset and code will be made publicly available at https://github.com/KPeng9510/RAVAR.

We extend JAX with the capability to automatically differentiate higher-order functions (functionals and operators). By representing functions as a generalization of arrays, we seamlessly use JAX's existing primitive system to implement higher-order functions. We present a set of primitive operators that serve as foundational building blocks for constructing several key types of functionals. For every introduced primitive operator, we derive and implement both linearization and transposition rules, aligning with JAX's internal protocols for forward and reverse mode automatic differentiation. This enhancement allows for functional differentiation in the same syntax traditionally use for functions. The resulting functional gradients are themselves functions ready to be invoked in python. We showcase this tool's efficacy and simplicity through applications where functional derivatives are indispensable. The source code of this work is released at https://github.com/sail-sg/autofd .

Imaging systems consist of cameras to encode visual information about the world and perception models to interpret this encoding. Cameras contain (1) illumination sources, (2) optical elements, and (3) sensors, while perception models use (4) algorithms. Directly searching over all combinations of these four building blocks to design an imaging system is challenging due to the size of the search space. Moreover, cameras and perception models are often designed independently, leading to sub-optimal task performance. In this paper, we formulate these four building blocks of imaging systems as a context-free grammar (CFG), which can be automatically searched over with a learned camera designer to jointly optimize the imaging system with task-specific perception models. By transforming the CFG to a state-action space, we then show how the camera designer can be implemented with reinforcement learning to intelligently search over the combinatorial space of possible imaging system configurations. We demonstrate our approach on two tasks, depth estimation and camera rig design for autonomous vehicles, showing that our method yields rigs that outperform industry-wide standards. We believe that our proposed approach is an important step towards automating imaging system design.

Sentence Boundary Detection (SBD) is one of the foundational building blocks of Natural Language Processing (NLP), with incorrectly split sentences heavily influencing the output quality of downstream tasks. It is a challenging task for algorithms, especially in the legal domain, considering the complex and different sentence structures used. In this work, we curated a diverse multilingual legal dataset consisting of over 130'000 annotated sentences in 6 languages. Our experimental results indicate that the performance of existing SBD models is subpar on multilingual legal data. We trained and tested monolingual and multilingual models based on CRF, BiLSTM-CRF, and transformers, demonstrating state-of-the-art performance. We also show that our multilingual models outperform all baselines in the zero-shot setting on a Portuguese test set. To encourage further research and development by the community, we have made our dataset, models, and code publicly available.

We consider a project (model) owner that would like to train a model by utilizing the local private data and compute power of interested data owners, i.e., trainers. Our goal is to design a data marketplace for such decentralized collaborative/federated learning applications that simultaneously provides i) proof-of-contribution based reward allocation so that the trainers are compensated based on their contributions to the trained model; ii) privacy-preserving decentralized model training by avoiding any data movement from data owners; iii) robustness against malicious parties (e.g., trainers aiming to poison the model); iv) verifiability in the sense that the integrity, i.e., correctness, of all computations in the data market protocol including contribution assessment and outlier detection are verifiable through zero-knowledge proofs; and v) efficient and universal design. We propose a blockchain-based marketplace design to achieve all five objectives mentioned above. In our design, we utilize a distributed storage infrastructure and an aggregator aside from the project owner and the trainers. The aggregator is a processing node that performs certain computations, including assessing trainer contributions, removing outliers, and updating hyper-parameters. We execute the proposed data market through a blockchain smart contract. The deployed smart contract ensures that the project owner cannot evade payment, and honest trainers are rewarded based on their contributions at the end of training. Finally, we implement the building blocks of the proposed data market and demonstrate their applicability in practical scenarios through extensive experiments.

Modern 3D semantic instance segmentation approaches predominantly rely on specialized voting mechanisms followed by carefully designed geometric clustering techniques. Building on the successes of recent Transformer-based methods for object detection and image segmentation, we propose the first Transformer-based approach for 3D semantic instance segmentation. We show that we can leverage generic Transformer building blocks to directly predict instance masks from 3D point clouds. In our model called Mask3D each object instance is represented as an instance query. Using Transformer decoders, the instance queries are learned by iteratively attending to point cloud features at multiple scales. Combined with point features, the instance queries directly yield all instance masks in parallel. Mask3D has several advantages over current state-of-the-art approaches, since it neither relies on (1) voting schemes which require hand-selected geometric properties (such as centers) nor (2) geometric grouping mechanisms requiring manually-tuned hyper-parameters (e.g. radii) and (3) enables a loss that directly optimizes instance masks. Mask3D sets a new state-of-the-art on ScanNet test (+6.2 mAP), S3DIS 6-fold (+10.1 mAP), STPLS3D (+11.2 mAP) and ScanNet200 test (+12.4 mAP).

The selection of maskers and playback gain levels in a soundscape augmentation system is crucial to its effectiveness in improving the overall acoustic comfort of a given environment. Traditionally, the selection of appropriate maskers and gain levels has been informed by expert opinion, which may not representative of the target population, or by listening tests, which can be time-consuming and labour-intensive. Furthermore, the resulting static choices of masker and gain are often inflexible to the dynamic nature of real-world soundscapes. In this work, we utilized a deep learning model to perform joint selection of the optimal masker and its gain level for a given soundscape. The proposed model was designed with highly modular building blocks, allowing for an optimized inference process that can quickly search through a large number of masker and gain combinations. In addition, we introduced the use of feature-domain soundscape augmentation conditioned on the digital gain level, eliminating the computationally expensive waveform-domain mixing process during inference time, as well as the tedious pre-calibration process required for new maskers. The proposed system was validated on a large-scale dataset of subjective responses to augmented soundscapes with more than 440 participants, ensuring the ability of the model to predict combined effect of the masker and its gain level on the perceptual pleasantness level.

Echo and noise suppression is an integral part of a full-duplex communication system. Many recent acoustic echo cancellation (AEC) systems rely on a separate adaptive filtering module for linear echo suppression and a neural module for residual echo suppression. However, not only do adaptive filtering modules require convergence and remain susceptible to changes in acoustic environments, but this two-stage framework also often introduces unnecessary delays to the AEC system when neural modules are already capable of both linear and nonlinear echo suppression. In this paper, we exploit the offset-compensating ability of complex time-frequency masks and propose an end-to-end complex-valued neural network architecture. The building block of the proposed model is a pseudocomplex extension based on the densely-connected multidilated DenseNet (D3Net) building block, resulting in a very small network of only 354K parameters. The architecture utilized the multi-resolution nature of the D3Net building blocks to eliminate the need for pooling, allowing the network to extract features using large receptive fields without any loss of output resolution. We also propose a dual-mask technique for joint echo and noise suppression with simultaneous speech enhancement. Evaluation on both synthetic and real test sets demonstrated promising results across multiple energy-based metrics and perceptual proxies.

The ResNet and its variants have achieved remarkable successes in various computer vision tasks. Despite its success in making gradient flow through building blocks, the simple shortcut connection mechanism limits the ability of re-exploring new potentially complementary features due to the additive function. To address this issue, in this paper, we propose to introduce a regulator module as a memory mechanism to extract complementary features, which are further fed to the ResNet. In particular, the regulator module is composed of convolutional RNNs (e.g., Convolutional LSTMs or Convolutional GRUs), which are shown to be good at extracting Spatio-temporal information. We named the new regulated networks as RegNet. The regulator module can be easily implemented and appended to any ResNet architecture. We also apply the regulator module for improving the Squeeze-and-Excitation ResNet to show the generalization ability of our method. Experimental results on three image classification datasets have demonstrated the promising performance of the proposed architecture compared with the standard ResNet, SE-ResNet, and other state-of-the-art architectures.

We incorporate discrete and continuous time Markov processes as building blocks into probabilistic graphical models with latent and observed variables. We introduce the automatic Backward Filtering Forward Guiding (BFFG) paradigm (Mider et al., 2021) for programmable inference on latent states and model parameters. Our starting point is a generative model, a forward description of the probabilistic process dynamics. We backpropagate the information provided by observations through the model to transform the generative (forward) model into a pre-conditional model guided by the data. It approximates the actual conditional model with known likelihood-ratio between the two. The backward filter and the forward change of measure are suitable to be incorporated into a probabilistic programming context because they can be formulated as a set of transformation rules. The guided generative model can be incorporated in different approaches to efficiently sample latent states and parameters conditional on observations. We show applicability in a variety of settings, including Markov chains with discrete state space, interacting particle systems, state space models, branching diffusions and Gamma processes.

Unsupervised feature extraction algorithms form one of the most important building blocks in machine learning systems. These algorithms are often adapted to the event-based domain to perform online learning in neuromorphic hardware. However, not designed for the purpose, such algorithms typically require significant simplification during implementation to meet hardware constraints, creating trade offs with performance. Furthermore, conventional feature extraction algorithms are not designed to generate useful intermediary signals which are valuable only in the context of neuromorphic hardware limitations. In this work a novel event-based feature extraction method is proposed that focuses on these issues. The algorithm operates via simple adaptive selection thresholds which allow a simpler implementation of network homeostasis than previous works by trading off a small amount of information loss in the form of missed events that fall outside the selection thresholds. The behavior of the selection thresholds and the output of the network as a whole are shown to provide uniquely useful signals indicating network weight convergence without the need to access network weights. A novel heuristic method for network size selection is proposed which makes use of noise events and their feature representations. The use of selection thresholds is shown to produce network activation patterns that predict classification accuracy allowing rapid evaluation and optimization of system parameters without the need to run back-end classifiers. The feature extraction method is tested on both the N-MNIST benchmarking dataset and a dataset of airplanes passing through the field of view. Multiple configurations with different classifiers are tested with the results quantifying the resultant performance gains at each processing stage.

Developing neural network image classification models often requires significant architecture engineering. In this paper, we study a method to learn the model architectures directly on the dataset of interest. As this approach is expensive when the dataset is large, we propose to search for an architectural building block on a small dataset and then transfer the block to a larger dataset. The key contribution of this work is the design of a new search space (the "NASNet search space") which enables transferability. In our experiments, we search for the best convolutional layer (or "cell") on the CIFAR-10 dataset and then apply this cell to the ImageNet dataset by stacking together more copies of this cell, each with their own parameters to design a convolutional architecture, named "NASNet architecture". We also introduce a new regularization technique called ScheduledDropPath that significantly improves generalization in the NASNet models. On CIFAR-10 itself, NASNet achieves 2.4% error rate, which is state-of-the-art. On ImageNet, NASNet achieves, among the published works, state-of-the-art accuracy of 82.7% top-1 and 96.2% top-5 on ImageNet. Our model is 1.2% better in top-1 accuracy than the best human-invented architectures while having 9 billion fewer FLOPS - a reduction of 28% in computational demand from the previous state-of-the-art model. When evaluated at different levels of computational cost, accuracies of NASNets exceed those of the state-of-the-art human-designed models. For instance, a small version of NASNet also achieves 74% top-1 accuracy, which is 3.1% better than equivalently-sized, state-of-the-art models for mobile platforms. Finally, the learned features by NASNet used with the Faster-RCNN framework surpass state-of-the-art by 4.0% achieving 43.1% mAP on the COCO dataset.

With the rapid development of AI hardware accelerators, applying deep learning-based algorithms to solve various low-level vision tasks on mobile devices has gradually become possible. However, two main problems still need to be solved: task-specific algorithms make it difficult to integrate them into a single neural network architecture, and large amounts of parameters make it difficult to achieve real-time inference. To tackle these problems, we propose a novel network, SYENet, with only ~6K parameters, to handle multiple low-level vision tasks on mobile devices in a real-time manner. The SYENet consists of two asymmetrical branches with simple building blocks. To effectively connect the results by asymmetrical branches, a Quadratic Connection Unit(QCU) is proposed. Furthermore, to improve performance, a new Outlier-Aware Loss is proposed to process the image. The proposed method proves its superior performance with the best PSNR as compared with other networks in real-time applications such as Image Signal Processing(ISP), Low-Light Enhancement(LLE), and Super-Resolution(SR) with 2K60FPS throughput on Qualcomm 8 Gen 1 mobile SoC(System-on-Chip). Particularly, for ISP task, SYENet got the highest score in MAI 2022 Learned Smartphone ISP challenge.

Our understanding of the generalization capabilities of neural networks (NNs) is still incomplete. Prevailing explanations are based on implicit biases of gradient descent (GD) but they cannot account for the capabilities of models from gradient-free methods nor the simplicity bias recently observed in untrained networks. This paper seeks other sources of generalization in NNs. Findings. To understand the inductive biases provided by architectures independently from GD, we examine untrained, random-weight networks. Even simple MLPs show strong inductive biases: uniform sampling in weight space yields a very biased distribution of functions in terms of complexity. But unlike common wisdom, NNs do not have an inherent "simplicity bias". This property depends on components such as ReLUs, residual connections, and layer normalizations. Alternative architectures can be built with a bias for any level of complexity. Transformers also inherit all these properties from their building blocks. Implications. We provide a fresh explanation for the success of deep learning independent from gradient-based training. It points at promising avenues for controlling the solutions implemented by trained models.

AI agents capable of controlling user interfaces have the potential to transform human interaction with digital devices. To accelerate this transformation, two fundamental building blocks are essential: high-quality datasets that enable agents to achieve complex and human-relevant goals, and robust evaluation methods that allow researchers and practitioners to rapidly enhance agent performance. In this paper, we introduce DigiData, a large-scale, high-quality, diverse, multi-modal dataset designed for training mobile control agents. Unlike existing datasets, which derive goals from unstructured interactions, DigiData is meticulously constructed through comprehensive exploration of app features, resulting in greater diversity and higher goal complexity. Additionally, we present DigiData-Bench, a benchmark for evaluating mobile control agents on real-world complex tasks. We demonstrate that the commonly used step-accuracy metric falls short in reliably assessing mobile control agents and, to address this, we propose dynamic evaluation protocols and AI-powered evaluations as rigorous alternatives for agent assessment. Our contributions aim to significantly advance the development of mobile control agents, paving the way for more intuitive and effective human-device interactions.

We investigate the capabilities of transformer large language models (LLMs) on relational reasoning tasks involving abstract symbols. Such tasks have long been studied in the neuroscience literature as fundamental building blocks for more complex abilities in programming, mathematics, and verbal reasoning. For (i) regression tasks, we prove that transformers generalize when trained, but require astonishingly large quantities of training data. For (ii) next-token-prediction tasks with symbolic labels, we show an "inverse scaling law": transformers fail to generalize as their embedding dimension increases. For both settings (i) and (ii), we propose subtle transformer modifications which can reduce the amount of data needed by adding two trainable parameters per head.

Story ideation is a critical part of the story-writing process. It is challenging to support computationally due to its exploratory and subjective nature. Tropes, which are recurring narrative elements across stories, are essential in stories as they shape the structure of narratives and our understanding of them. In this paper, we propose to use tropes as an intermediate representation of stories to approach story ideation. We present TaleStream, a canvas system that uses tropes as building blocks of stories while providing steerable suggestions of story ideas in the form of tropes. Our trope suggestion methods leverage data from the tvtropes.org wiki. We find that 97% of the time, trope suggestions generated by our methods provide better story ideation materials than random tropes. Our system evaluation suggests that TaleStream can support writers' creative flow and greatly facilitates story development. Tropes, as a rich lexicon of narratives with available examples, play a key role in TaleStream and hold promise for story-creation support systems.

We revisit the one-shot Neural Architecture Search (NAS) paradigm and analyze its advantages over existing NAS approaches. Existing one-shot method, however, is hard to train and not yet effective on large scale datasets like ImageNet. This work propose a Single Path One-Shot model to address the challenge in the training. Our central idea is to construct a simplified supernet, where all architectures are single paths so that weight co-adaption problem is alleviated. Training is performed by uniform path sampling. All architectures (and their weights) are trained fully and equally. Comprehensive experiments verify that our approach is flexible and effective. It is easy to train and fast to search. It effortlessly supports complex search spaces (e.g., building blocks, channel, mixed-precision quantization) and different search constraints (e.g., FLOPs, latency). It is thus convenient to use for various needs. It achieves start-of-the-art performance on the large dataset ImageNet.

Multi-controlled single-target (MC) gates are some of the most crucial building blocks for varied quantum algorithms. How to implement them optimally is thus a pivotal question. To answer this question in an architecture-independent manner, and to get a worst-case estimate, we should look at a linear nearest-neighbor (LNN) architecture, as this can be embedded in almost any qubit connectivity. Motivated by the above, here we describe a method which implements MC gates using no more than sim 4k+8n CNOT gates -- up-to 60% reduction over state-of-the-art -- while allowing for complete flexibility to choose the locations of n controls, the target, and a dirty ancilla out of k qubits. More strikingly, in case k approx n, our upper bound is sim 12n -- the best known for unrestricted connectivity -- and if n = 1, our upper bound is sim 4k -- the best known for a single long-range CNOT gate over k qubits -- therefore, if our upper bound can be reduced, then the cost of one or both of these simpler versions of MC gates will be immediately reduced accordingly. In practice, our method provides circuits that tend to require fewer CNOT gates than our upper bound for almost any given instance of MC gates.

Scaling up self-supervised learning has driven breakthroughs in language and vision, yet comparable progress has remained elusive in reinforcement learning (RL). In this paper, we study building blocks for self-supervised RL that unlock substantial improvements in scalability, with network depth serving as a critical factor. Whereas most RL papers in recent years have relied on shallow architectures (around 2 - 5 layers), we demonstrate that increasing the depth up to 1024 layers can significantly boost performance. Our experiments are conducted in an unsupervised goal-conditioned setting, where no demonstrations or rewards are provided, so an agent must explore (from scratch) and learn how to maximize the likelihood of reaching commanded goals. Evaluated on simulated locomotion and manipulation tasks, our approach increases performance on the self-supervised contrastive RL algorithm by 2times - 50times, outperforming other goal-conditioned baselines. Increasing the model depth not only increases success rates but also qualitatively changes the behaviors learned. The project webpage and code can be found here: https://wang-kevin3290.github.io/scaling-crl/.

With the emergence of diffusion models as the frontline of generative models, many researchers have proposed molecule generation techniques using conditional diffusion models. However, due to the fundamental nature of a molecule, which carries highly entangled correlations within a small number of atoms and bonds, it becomes difficult for a model to connect raw data with the conditions when the conditions become more complex as natural language. To address this, here we present a novel latent diffusion model dubbed LDMol, which enables a natural text-conditioned molecule generation. Specifically, LDMol is composed of three building blocks: a molecule encoder that produces a chemically informative feature space, a natural language-conditioned latent diffusion model using a Diffusion Transformer (DiT), and an autoregressive decoder for molecule re. In particular, recognizing that multiple SMILES notations can represent the same molecule, we employ a contrastive learning strategy to extract the chemical informative feature space. LDMol not only beats the existing baselines on the text-to-molecule generation benchmark but is also capable of zero-shot inference with unseen scenarios. Furthermore, we show that LDMol can be applied to downstream tasks such as molecule-to-text retrieval and text-driven molecule editing, demonstrating its versatility as a diffusion model.

The release of ChatGPT, Bard, and other large language model (LLM)-based chatbots has drawn huge attention on foundations models worldwide. There is a growing trend that foundation models will serve as the fundamental building blocks for most of the future AI systems. However, incorporating foundation models in AI systems raises significant concerns about responsible AI due to their black box nature and rapidly advancing super-intelligence. Additionally, the foundation model's growing capabilities can eventually absorb the other components of AI systems, introducing the moving boundary and interface evolution challenges in architecture design. To address these challenges, this paper proposes a pattern-oriented responsible-AI-by-design reference architecture for designing foundation model-based AI systems. Specially, the paper first presents an architecture evolution of AI systems in the era of foundation models, from "foundation-model-as-a-connector" to "foundation-model-as-a-monolithic architecture". The paper then identifies the key design decision points and proposes a pattern-oriented reference architecture to provide reusable responsible-AI-by-design architectural solutions to address the new architecture evolution and responsible AI challenges. The patterns can be embedded as product features of foundation model-based AI systems and can enable organisations to capitalise on the potential of foundation models while minimising associated risks.

Backward Filtering Forward Guiding (BFFG) is a bidirectional algorithm proposed in Mider et al. [2021] and studied more in depth in a general setting in Van der Meulen and Schauer [2022]. In category theory, optics have been proposed for modelling systems with bidirectional data flow. We connect BFFG with optics and prove that different ways of composing the building blocks of BFFG correspond to equivalent optics.

Recent progress on Transformers and multi-layer perceptron (MLP) models provide new network architectural designs for computer vision tasks. Although these models proved to be effective in many vision tasks such as image recognition, there remain challenges in adapting them for low-level vision. The inflexibility to support high-resolution images and limitations of local attention are perhaps the main bottlenecks. In this work, we present a multi-axis MLP based architecture called MAXIM, that can serve as an efficient and flexible general-purpose vision backbone for image processing tasks. MAXIM uses a UNet-shaped hierarchical structure and supports long-range interactions enabled by spatially-gated MLPs. Specifically, MAXIM contains two MLP-based building blocks: a multi-axis gated MLP that allows for efficient and scalable spatial mixing of local and global visual cues, and a cross-gating block, an alternative to cross-attention, which accounts for cross-feature conditioning. Both these modules are exclusively based on MLPs, but also benefit from being both global and `fully-convolutional', two properties that are desirable for image processing. Our extensive experimental results show that the proposed MAXIM model achieves state-of-the-art performance on more than ten benchmarks across a range of image processing tasks, including denoising, deblurring, deraining, dehazing, and enhancement while requiring fewer or comparable numbers of parameters and FLOPs than competitive models. The source code and trained models will be available at https://github.com/google-research/maxim.

Convolutional neural networks (CNNs) have achieved great successes in many computer vision problems. Unlike existing works that designed CNN architectures to improve performance on a single task of a single domain and not generalizable, we present IBN-Net, a novel convolutional architecture, which remarkably enhances a CNN's modeling ability on one domain (e.g. Cityscapes) as well as its generalization capacity on another domain (e.g. GTA5) without finetuning. IBN-Net carefully integrates Instance Normalization (IN) and Batch Normalization (BN) as building blocks, and can be wrapped into many advanced deep networks to improve their performances. This work has three key contributions. (1) By delving into IN and BN, we disclose that IN learns features that are invariant to appearance changes, such as colors, styles, and virtuality/reality, while BN is essential for preserving content related information. (2) IBN-Net can be applied to many advanced deep architectures, such as DenseNet, ResNet, ResNeXt, and SENet, and consistently improve their performance without increasing computational cost. (3) When applying the trained networks to new domains, e.g. from GTA5 to Cityscapes, IBN-Net achieves comparable improvements as domain adaptation methods, even without using data from the target domain. With IBN-Net, we won the 1st place on the WAD 2018 Challenge Drivable Area track, with an mIoU of 86.18%.

Attention layers -- which map a sequence of inputs to a sequence of outputs -- are core building blocks of the Transformer architecture which has achieved significant breakthroughs in modern artificial intelligence. This paper presents a rigorous theoretical study on the learning and generalization of a single multi-head attention layer, with a sequence of key vectors and a separate query vector as input. We consider the random feature setting where the attention layer has a large number of heads, with randomly sampled frozen query and key matrices, and trainable value matrices. We show that such a random-feature attention layer can express a broad class of target functions that are permutation invariant to the key vectors. We further provide quantitative excess risk bounds for learning these target functions from finite samples, using random feature attention with finitely many heads. Our results feature several implications unique to the attention structure compared with existing random features theory for neural networks, such as (1) Advantages in the sample complexity over standard two-layer random-feature networks; (2) Concrete and natural classes of functions that can be learned efficiently by a random-feature attention layer; and (3) The effect of the sampling distribution of the query-key weight matrix (the product of the query and key matrix), where Gaussian random weights with a non-zero mean result in better sample complexities over the zero-mean counterpart for learning certain natural target functions. Experiments on simulated data corroborate our theoretical findings and further illustrate the interplay between the sample size and the complexity of the target function.

This work aims at designing a lightweight convolutional neural network for image super resolution (SR). With simplicity bare in mind, we construct a pretty concise and effective network with a newly proposed pixel attention scheme. Pixel attention (PA) is similar as channel attention and spatial attention in formulation. The difference is that PA produces 3D attention maps instead of a 1D attention vector or a 2D map. This attention scheme introduces fewer additional parameters but generates better SR results. On the basis of PA, we propose two building blocks for the main branch and the reconstruction branch, respectively. The first one - SC-PA block has the same structure as the Self-Calibrated convolution but with our PA layer. This block is much more efficient than conventional residual/dense blocks, for its twobranch architecture and attention scheme. While the second one - UPA block combines the nearest-neighbor upsampling, convolution and PA layers. It improves the final reconstruction quality with little parameter cost. Our final model- PAN could achieve similar performance as the lightweight networks - SRResNet and CARN, but with only 272K parameters (17.92% of SRResNet and 17.09% of CARN). The effectiveness of each proposed component is also validated by ablation study. The code is available at https://github.com/zhaohengyuan1/PAN.

Reconstructing images seen by people from their fMRI brain recordings provides a non-invasive window into the human brain. Despite recent progress enabled by diffusion models, current methods often lack faithfulness to the actual seen images. We present "Brain-IT", a brain-inspired approach that addresses this challenge through a Brain Interaction Transformer (BIT), allowing effective interactions between clusters of functionally-similar brain-voxels. These functional-clusters are shared by all subjects, serving as building blocks for integrating information both within and across brains. All model components are shared by all clusters & subjects, allowing efficient training with a limited amount of data. To guide the image reconstruction, BIT predicts two complementary localized patch-level image features: (i)high-level semantic features which steer the diffusion model toward the correct semantic content of the image; and (ii)low-level structural features which help to initialize the diffusion process with the correct coarse layout of the image. BIT's design enables direct flow of information from brain-voxel clusters to localized image features. Through these principles, our method achieves image reconstructions from fMRI that faithfully reconstruct the seen images, and surpass current SotA approaches both visually and by standard objective metrics. Moreover, with only 1-hour of fMRI data from a new subject, we achieve results comparable to current methods trained on full 40-hour recordings.

Prior efforts in light-weight model development mainly centered on CNN and Transformer-based designs yet faced persistent challenges. CNNs adept at local feature extraction compromise resolution while Transformers offer global reach but escalate computational demands O(N^2). This ongoing trade-off between accuracy and efficiency remains a significant hurdle. Recently, state space models (SSMs), such as Mamba, have shown outstanding performance and competitiveness in various tasks such as language modeling and computer vision, while reducing the time complexity of global information extraction to O(N). Inspired by this, this work proposes to explore the potential of visual state space models in light-weight model design and introduce a novel efficient model variant dubbed EfficientVMamba. Concretely, our EfficientVMamba integrates a atrous-based selective scan approach by efficient skip sampling, constituting building blocks designed to harness both global and local representational features. Additionally, we investigate the integration between SSM blocks and convolutions, and introduce an efficient visual state space block combined with an additional convolution branch, which further elevate the model performance. Experimental results show that, EfficientVMamba scales down the computational complexity while yields competitive results across a variety of vision tasks. For example, our EfficientVMamba-S with 1.3G FLOPs improves Vim-Ti with 1.5G FLOPs by a large margin of 5.6% accuracy on ImageNet. Code is available at: https://github.com/TerryPei/EfficientVMamba.

We report a mixture of expert strategy to create fine-tuned large language models using a deep layer-wise token-level approach based on low-rank adaptation (LoRA). Starting with a set of pre-trained LoRA adapters, we propose a gating strategy that uses the hidden states to dynamically mix adapted layers, allowing the resulting X-LoRA model to draw upon different capabilities and create never-before-used deep layer-wise combinations of adaptations are established to solve specific tasks. The design is inspired by the biological principles of universality and diversity, where neural network building blocks are reused in different hierarchical manifestations. Hence, the X-LoRA model can be easily implemented for any existing large language model (LLM) without a need for modifications of the underlying structure. We develop a tailored X-LoRA model that offers scientific capabilities including forward/inverse analysis tasks and enhanced reasoning capability, focused on biomaterial analysis, protein mechanics and design. The impact of this work include access to readily expandable, adaptable and changeable models with strong domain knowledge and the capability to integrate across areas of knowledge. With the X-LoRA model featuring experts in biology, mathematics, reasoning, bio-inspired materials, mechanics and materials, chemistry, and protein mechanics we conduct a series of physics-focused case studies. We examine knowledge recall, protein mechanics forward/inverse tasks, protein design, and adversarial agentic modeling including ontological knowledge graphs. The model is capable not only of making quantitative predictions of nanomechanical properties of proteins, but also reasons over the results and correctly predicts likely mechanisms that explain distinct molecular behaviors.

Deep residual networks have emerged as a family of extremely deep architectures showing compelling accuracy and nice convergence behaviors. In this paper, we analyze the propagation formulations behind the residual building blocks, which suggest that the forward and backward signals can be directly propagated from one block to any other block, when using identity mappings as the skip connections and after-addition activation. A series of ablation experiments support the importance of these identity mappings. This motivates us to propose a new residual unit, which makes training easier and improves generalization. We report improved results using a 1001-layer ResNet on CIFAR-10 (4.62% error) and CIFAR-100, and a 200-layer ResNet on ImageNet. Code is available at: https://github.com/KaimingHe/resnet-1k-layers

Pipeline parallelism has been widely explored, but most existing schedules lack a systematic methodology. In this paper, we propose a framework to decompose pipeline schedules as repeating a building block and we show that the lifespan of the building block decides the peak activation memory of the pipeline schedule. Guided by the observations, we find that almost all existing pipeline schedules, to the best of our knowledge, are memory inefficient. To address this, we introduce a family of memory efficient building blocks with controllable activation memory, which can reduce the peak activation memory to 1/2 of 1F1B without sacrificing efficiency, and even to 1/3 with comparable throughput. We can also achieve almost zero pipeline bubbles while maintaining the same activation memory as 1F1B. Our evaluations demonstrate that in pure pipeline parallelism settings, our methods outperform 1F1B by from 7% to 55% in terms of throughput. When employing a grid search over hybrid parallelism hyperparameters in practical scenarios, our proposed methods demonstrate a 16% throughput improvement over the 1F1B baseline for large language models.

Transformers are widely used as generic backbones in computer vision, despite initially introduced for natural language processing. Recently, the Long Short-Term Memory (LSTM) has been extended to a scalable and performant architecture - the xLSTM - which overcomes long-standing LSTM limitations via exponential gating and parallelizable matrix memory structure. In this report, we introduce Vision-LSTM (ViL), an adaption of the xLSTM building blocks to computer vision. ViL comprises a stack of xLSTM blocks where odd blocks process the sequence of patch tokens from top to bottom while even blocks go from bottom to top. Experiments show that ViL holds promise to be further deployed as new generic backbone for computer vision architectures.

Multi-modal AI systems will likely become a ubiquitous presence in our everyday lives. A promising approach to making these systems more interactive is to embody them as agents within physical and virtual environments. At present, systems leverage existing foundation models as the basic building blocks for the creation of embodied agents. Embedding agents within such environments facilitates the ability of models to process and interpret visual and contextual data, which is critical for the creation of more sophisticated and context-aware AI systems. For example, a system that can perceive user actions, human behavior, environmental objects, audio expressions, and the collective sentiment of a scene can be used to inform and direct agent responses within the given environment. To accelerate research on agent-based multimodal intelligence, we define "Agent AI" as a class of interactive systems that can perceive visual stimuli, language inputs, and other environmentally-grounded data, and can produce meaningful embodied action with infinite agent. In particular, we explore systems that aim to improve agents based on next-embodied action prediction by incorporating external knowledge, multi-sensory inputs, and human feedback. We argue that by developing agentic AI systems in grounded environments, one can also mitigate the hallucinations of large foundation models and their tendency to generate environmentally incorrect outputs. The emerging field of Agent AI subsumes the broader embodied and agentic aspects of multimodal interactions. Beyond agents acting and interacting in the physical world, we envision a future where people can easily create any virtual reality or simulated scene and interact with agents embodied within the virtual environment.

Labeling neural network submodules with human-legible descriptions is useful for many downstream tasks: such descriptions can surface failures, guide interventions, and perhaps even explain important model behaviors. To date, most mechanistic descriptions of trained networks have involved small models, narrowly delimited phenomena, and large amounts of human labor. Labeling all human-interpretable sub-computations in models of increasing size and complexity will almost certainly require tools that can generate and validate descriptions automatically. Recently, techniques that use learned models in-the-loop for labeling have begun to gain traction, but methods for evaluating their efficacy are limited and ad-hoc. How should we validate and compare open-ended labeling tools? This paper introduces FIND (Function INterpretation and Description), a benchmark suite for evaluating the building blocks of automated interpretability methods. FIND contains functions that resemble components of trained neural networks, and accompanying descriptions of the kind we seek to generate. The functions are procedurally constructed across textual and numeric domains, and involve a range of real-world complexities, including noise, composition, approximation, and bias. We evaluate new and existing methods that use language models (LMs) to produce code-based and language descriptions of function behavior. We find that an off-the-shelf LM augmented with only black-box access to functions can sometimes infer their structure, acting as a scientist by forming hypotheses, proposing experiments, and updating descriptions in light of new data. However, LM-based descriptions tend to capture global function behavior and miss local corruptions. These results show that FIND will be useful for characterizing the performance of more sophisticated interpretability methods before they are applied to real-world models.

Web-scale search systems learn an encoder to embed a given query which is then hooked into an approximate nearest neighbor search (ANNS) pipeline to retrieve similar data points. To accurately capture tail queries and data points, learned representations typically are rigid, high-dimensional vectors that are generally used as-is in the entire ANNS pipeline and can lead to computationally expensive retrieval. In this paper, we argue that instead of rigid representations, different stages of ANNS can leverage adaptive representations of varying capacities to achieve significantly better accuracy-compute trade-offs, i.e., stages of ANNS that can get away with more approximate computation should use a lower-capacity representation of the same data point. To this end, we introduce AdANNS, a novel ANNS design framework that explicitly leverages the flexibility of Matryoshka Representations. We demonstrate state-of-the-art accuracy-compute trade-offs using novel AdANNS-based key ANNS building blocks like search data structures (AdANNS-IVF) and quantization (AdANNS-OPQ). For example on ImageNet retrieval, AdANNS-IVF is up to 1.5% more accurate than the rigid representations-based IVF at the same compute budget; and matches accuracy while being up to 90x faster in wall-clock time. For Natural Questions, 32-byte AdANNS-OPQ matches the accuracy of the 64-byte OPQ baseline constructed using rigid representations -- same accuracy at half the cost! We further show that the gains from AdANNS translate to modern-day composite ANNS indices that combine search structures and quantization. Finally, we demonstrate that AdANNS can enable inference-time adaptivity for compute-aware search on ANNS indices built non-adaptively on matryoshka representations. Code is open-sourced at https://github.com/RAIVNLab/AdANNS.

Convolutional Neural Networks (CNN) have been regarded as a powerful class of models for image recognition problems. Nevertheless, it is not trivial when utilizing a CNN for learning spatio-temporal video representation. A few studies have shown that performing 3D convolutions is a rewarding approach to capture both spatial and temporal dimensions in videos. However, the development of a very deep 3D CNN from scratch results in expensive computational cost and memory demand. A valid question is why not recycle off-the-shelf 2D networks for a 3D CNN. In this paper, we devise multiple variants of bottleneck building blocks in a residual learning framework by simulating 3times3times3 convolutions with 1times3times3 convolutional filters on spatial domain (equivalent to 2D CNN) plus 3times1times1 convolutions to construct temporal connections on adjacent feature maps in time. Furthermore, we propose a new architecture, named Pseudo-3D Residual Net (P3D ResNet), that exploits all the variants of blocks but composes each in different placement of ResNet, following the philosophy that enhancing structural diversity with going deep could improve the power of neural networks. Our P3D ResNet achieves clear improvements on Sports-1M video classification dataset against 3D CNN and frame-based 2D CNN by 5.3% and 1.8%, respectively. We further examine the generalization performance of video representation produced by our pre-trained P3D ResNet on five different benchmarks and three different tasks, demonstrating superior performances over several state-of-the-art techniques.

In physics, Lagrangians provide a systematic way to describe laws governing physical systems. In the context of particle physics, they encode the interactions and behavior of the fundamental building blocks of our universe. By treating Lagrangians as complex, rule-based constructs similar to linguistic expressions, we trained a transformer model -- proven to be effective in natural language tasks -- to predict the Lagrangian corresponding to a given list of particles. We report on the transformer's performance in constructing Lagrangians respecting the Standard Model SU(3)times SU(2)times U(1) gauge symmetries. The resulting model is shown to achieve high accuracies (over 90\%) with Lagrangians up to six matter fields, with the capacity to generalize beyond the training distribution, albeit within architectural constraints. We show through an analysis of input embeddings that the model has internalized concepts such as group representations and conjugation operations as it learned to generate Lagrangians. We make the model and training datasets available to the community. An interactive demonstration can be found at: https://huggingface.co/spaces/JoseEliel/generate-lagrangians.

The ability to build and leverage world models is essential for a general-purpose AI agent. Testing such capabilities is hard, in part because the building blocks of world models are ill-defined. We present Elements of World Knowledge (EWOK), a framework for evaluating world modeling in language models by testing their ability to use knowledge of a concept to match a target text with a plausible/implausible context. EWOK targets specific concepts from multiple knowledge domains known to be vital for world modeling in humans. Domains range from social interactions (help/hinder) to spatial relations (left/right). Both, contexts and targets are minimal pairs. Objects, agents, and locations in the items can be flexibly filled in enabling easy generation of multiple controlled datasets. We then introduce EWOK-CORE-1.0, a dataset of 4,374 items covering 11 world knowledge domains. We evaluate 20 openweights large language models (1.3B--70B parameters) across a battery of evaluation paradigms along with a human norming study comprising 12,480 measurements. The overall performance of all tested models is worse than human performance, with results varying drastically across domains. These data highlight simple cases where even large models fail and present rich avenues for targeted research on LLM world modeling capabilities.

Metal-organic frameworks (MOFs) are of immense interest in applications such as gas storage and carbon capture due to their exceptional porosity and tunable chemistry. Their modular nature has enabled the use of template-based methods to generate hypothetical MOFs by combining molecular building blocks in accordance with known network topologies. However, the ability of these methods to identify top-performing MOFs is often hindered by the limited diversity of the resulting chemical space. In this work, we propose MOFDiff: a coarse-grained (CG) diffusion model that generates CG MOF structures through a denoising diffusion process over the coordinates and identities of the building blocks. The all-atom MOF structure is then determined through a novel assembly algorithm. Equivariant graph neural networks are used for the diffusion model to respect the permutational and roto-translational symmetries. We comprehensively evaluate our model's capability to generate valid and novel MOF structures and its effectiveness in designing outstanding MOF materials for carbon capture applications with molecular simulations.

Language models (LMs) are trained on collections of documents, written by individual human agents to achieve specific goals in an outside world. During training, LMs have access only to text of these documents, with no direct evidence of the internal states of the agents that produced them -- a fact often used to argue that LMs are incapable of modeling goal-directed aspects of human language production and comprehension. Can LMs trained on text learn anything at all about the relationship between language and use? I argue that LMs are models of intentional communication in a specific, narrow sense. When performing next word prediction given a textual context, an LM can infer and represent properties of an agent likely to have produced that context. These representations can in turn influence subsequent LM generation in the same way that agents' communicative intentions influence their language. I survey findings from the recent literature showing that -- even in today's non-robust and error-prone models -- LMs infer and use representations of fine-grained communicative intentions and more abstract beliefs and goals. Despite the limited nature of their training data, they can thus serve as building blocks for systems that communicate and act intentionally.

In this work, we generalize the reaction-diffusion equation in statistical physics, Schr\"odinger equation in quantum mechanics, Helmholtz equation in paraxial optics into the neural partial differential equations (NPDE), which can be considered as the fundamental equations in the field of artificial intelligence research. We take finite difference method to discretize NPDE for finding numerical solution, and the basic building blocks of deep neural network architecture, including multi-layer perceptron, convolutional neural network and recurrent neural networks, are generated. The learning strategies, such as Adaptive moment estimation, L-BFGS, pseudoinverse learning algorithms and partial differential equation constrained optimization, are also presented. We believe it is of significance that presented clear physical image of interpretable deep neural networks, which makes it be possible for applying to analog computing device design, and pave the road to physical artificial intelligence.

This paper describes Asteroid, the PyTorch-based audio source separation toolkit for researchers. Inspired by the most successful neural source separation systems, it provides all neural building blocks required to build such a system. To improve reproducibility, Kaldi-style recipes on common audio source separation datasets are also provided. This paper describes the software architecture of Asteroid and its most important features. By showing experimental results obtained with Asteroid's recipes, we show that our implementations are at least on par with most results reported in reference papers. The toolkit is publicly available at https://github.com/mpariente/asteroid .

Historically, the pursuit of efficient inference has been one of the driving forces behind research into new deep learning architectures and building blocks. Some recent examples include: the squeeze-and-excitation module, depthwise separable convolutions in Xception, and the inverted bottleneck in MobileNet v2. Notably, in all of these cases, the resulting building blocks enabled not only higher efficiency, but also higher accuracy, and found wide adoption in the field. In this work, we further expand the arsenal of efficient building blocks for neural network architectures; but instead of combining standard primitives (such as convolution), we advocate for the replacement of these dense primitives with their sparse counterparts. While the idea of using sparsity to decrease the parameter count is not new, the conventional wisdom is that this reduction in theoretical FLOPs does not translate into real-world efficiency gains. We aim to correct this misconception by introducing a family of efficient sparse kernels for ARM and WebAssembly, which we open-source for the benefit of the community as part of the XNNPACK library. Equipped with our efficient implementation of sparse primitives, we show that sparse versions of MobileNet v1, MobileNet v2 and EfficientNet architectures substantially outperform strong dense baselines on the efficiency-accuracy curve. On Snapdragon 835 our sparse networks outperform their dense equivalents by 1.3-2.4times -- equivalent to approximately one entire generation of MobileNet-family improvement. We hope that our findings will facilitate wider adoption of sparsity as a tool for creating efficient and accurate deep learning architectures.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

We propose utilizing background operators for mathematical reasoning in large language models (LLMs). To achieve this, we define a set of fundamental mathematical predicates as the basic building blocks. For each mathematical problem, we develop a Prolog solution that includes problem-specific predicates and intermediate predicates derived from these background operators, ensuring that each solution adheres to the defined operator set. We introduce the MATH-Prolog corpus, which is derived from the counting and probability categories of the MATH corpus. For efficient data augmentation, we apply K-fold cross-validated self-training. This method incrementally generates new Prolog solutions for each fold, incorporating those verified as correct into the training set throughout the model training process. Our experimental results demonstrate that 5-fold crossvalidated self-training effectively identifies new, accurate Prolog solutions, achieving an accuracy of 84.6% on the cross-validated set, and 84.8% on the test set during fine-tuning the Meta-Llama-3.1-8B-Instruct model. This approach successfully uncovers new solutions with fully computable inference steps for previously unseen problems. Additionally, incorporating the background mathematical predicates into the prompt enhances solution coverage.

Progress in the realisation of reliable large-scale quantum computers has motivated research into the design of quantum machine learning models. We present Quixer: a novel quantum transformer model which utilises the Linear Combination of Unitaries and Quantum Singular Value Transform primitives as building blocks. Quixer operates by preparing a superposition of tokens and applying a trainable non-linear transformation to this mix. We present the first results for a quantum transformer model applied to a practical language modelling task, obtaining results competitive with an equivalent classical baseline. In addition, we include resource estimates for evaluating the model on quantum hardware, and provide an open-source implementation for classical simulation. We conclude by highlighting the generality of Quixer, showing that its parameterised components can be substituted with fixed structures to yield new classes of quantum transformers.

This paper studies how to keep a vision backbone effective while removing token mixers in its basic building blocks. Token mixers, as self-attention for vision transformers (ViTs), are intended to perform information communication between different spatial tokens but suffer from considerable computational cost and latency. However, directly removing them will lead to an incomplete model structure prior, and thus brings a significant accuracy drop. To this end, we first develop an RepIdentityFormer base on the re-parameterizing idea, to study the token mixer free model architecture. And we then explore the improved learning paradigm to break the limitation of simple token mixer free backbone, and summarize the empirical practice into 5 guidelines. Equipped with the proposed optimization strategy, we are able to build an extremely simple vision backbone with encouraging performance, while enjoying the high efficiency during inference. Extensive experiments and ablative analysis also demonstrate that the inductive bias of network architecture, can be incorporated into simple network structure with appropriate optimization strategy. We hope this work can serve as a starting point for the exploration of optimization-driven efficient network design. Project page: https://techmonsterwang.github.io/RIFormer/.

Using AI to write formal proofs for mathematical problems is a challenging task that has seen some advancements in recent years. Automated systems such as Lean can verify the correctness of proofs written in formal language, yet writing the proofs in formal language can be challenging for humans and machines. The miniF2F benchmark has 20 IMO problems in its test set, yet formal proofs are available only for 6 of these problems (3 of which are only written by mathematicians). The model with best accuracy can only prove 2 of these 20 IMO problems, from 1950s and 60s, while its training set is a secret. In this work, we write complete, original formal proofs for the remaining IMO problems in Lean along with 3 extra problems from IMO 2022 and 2023. This effort expands the availability of proof currently in the public domain by creating 5,880 lines of Lean proof. The goal of the paper is to pave the way for developing AI models that can automatically write the formal proofs for all the IMO problems in miniF2F and beyond by providing an evaluation benchmark. In this pursuit, we devise a method to decompose the proofs of these problems into their building blocks, constructing a dataset of 1,329 lemmas with more than 40k lines of Lean code. These lemmas are not trivial, yet they are approachable, providing the opportunity to evaluate and diagnose the failures and successes of AI models. We evaluate the ability of the SOTA LLMs on our dataset and analyze their success and failure modes from different perspectives. Our dataset and code is available at: https://github.com/roozbeh-yz/IMO-Steps.

Recommender systems play a significant role in information filtering and have been utilized in different scenarios, such as e-commerce and social media. With the prosperity of deep learning, deep recommender systems show superior performance by capturing non-linear information and item-user relationships. However, the design of deep recommender systems heavily relies on human experiences and expert knowledge. To tackle this problem, Automated Machine Learning (AutoML) is introduced to automatically search for the proper candidates for different parts of deep recommender systems. This survey performs a comprehensive review of the literature in this field. Firstly, we propose an abstract concept for AutoML for deep recommender systems (AutoRecSys) that describes its building blocks and distinguishes it from conventional AutoML techniques and recommender systems. Secondly, we present a taxonomy as a classification framework containing feature selection search, embedding dimension search, feature interaction search, model architecture search, and other components search. Furthermore, we put a particular emphasis on the search space and search strategy, as they are the common thread to connect all methods within each category and enable practitioners to analyze and compare various approaches. Finally, we propose four future promising research directions that will lead this line of research.

Despite the success of convolutional neural networks (CNNs) in many academic benchmarks for computer vision tasks, their application in the real-world is still facing fundamental challenges. One of these open problems is the inherent lack of robustness, unveiled by the striking effectiveness of adversarial attacks. Current attack methods are able to manipulate the network's prediction by adding specific but small amounts of noise to the input. In turn, adversarial training (AT) aims to achieve robustness against such attacks and ideally a better model generalization ability by including adversarial samples in the trainingset. However, an in-depth analysis of the resulting robust models beyond adversarial robustness is still pending. In this paper, we empirically analyze a variety of adversarially trained models that achieve high robust accuracies when facing state-of-the-art attacks and we show that AT has an interesting side-effect: it leads to models that are significantly less overconfident with their decisions, even on clean data than non-robust models. Further, our analysis of robust models shows that not only AT but also the model's building blocks (like activation functions and pooling) have a strong influence on the models' prediction confidences. Data & Project website: https://github.com/GeJulia/robustness_confidences_evaluation

Since convolutional neural networks (CNNs) perform well at learning generalizable image priors from large-scale data, these models have been extensively applied to image restoration and related tasks. Recently, another class of neural architectures, Transformers, have shown significant performance gains on natural language and high-level vision tasks. While the Transformer model mitigates the shortcomings of CNNs (i.e., limited receptive field and inadaptability to input content), its computational complexity grows quadratically with the spatial resolution, therefore making it infeasible to apply to most image restoration tasks involving high-resolution images. In this work, we propose an efficient Transformer model by making several key designs in the building blocks (multi-head attention and feed-forward network) such that it can capture long-range pixel interactions, while still remaining applicable to large images. Our model, named Restoration Transformer (Restormer), achieves state-of-the-art results on several image restoration tasks, including image deraining, single-image motion deblurring, defocus deblurring (single-image and dual-pixel data), and image denoising (Gaussian grayscale/color denoising, and real image denoising). The source code and pre-trained models are available at https://github.com/swz30/Restormer.

Recent work has shown that the end-to-end approach using convolutional neural network (CNN) is effective in various types of machine learning tasks. For audio signals, the approach takes raw waveforms as input using an 1-D convolution layer. In this paper, we improve the 1-D CNN architecture for music auto-tagging by adopting building blocks from state-of-the-art image classification models, ResNets and SENets, and adding multi-level feature aggregation to it. We compare different combinations of the modules in building CNN architectures. The results show that they achieve significant improvements over previous state-of-the-art models on the MagnaTagATune dataset and comparable results on Million Song Dataset. Furthermore, we analyze and visualize our model to show how the 1-D CNN operates.

As Large Language Models (LLMs) rapidly evolve, their influence in science is becoming increasingly prominent. The emerging capabilities of LLMs in task generalization and free-form dialogue can significantly advance fields like chemistry and biology. However, the field of single-cell biology, which forms the foundational building blocks of living organisms, still faces several challenges. High knowledge barriers and limited scalability in current methods restrict the full exploitation of LLMs in mastering single-cell data, impeding direct accessibility and rapid iteration. To this end, we introduce ChatCell, which signifies a paradigm shift by facilitating single-cell analysis with natural language. Leveraging vocabulary adaptation and unified sequence generation, ChatCell has acquired profound expertise in single-cell biology and the capability to accommodate a diverse range of analysis tasks. Extensive experiments further demonstrate ChatCell's robust performance and potential to deepen single-cell insights, paving the way for more accessible and intuitive exploration in this pivotal field. Our project homepage is available at https://zjunlp.github.io/project/ChatCell.

Object detection, as of one the most fundamental and challenging problems in computer vision, has received great attention in recent years. Over the past two decades, we have seen a rapid technological evolution of object detection and its profound impact on the entire computer vision field. If we consider today's object detection technique as a revolution driven by deep learning, then back in the 1990s, we would see the ingenious thinking and long-term perspective design of early computer vision. This paper extensively reviews this fast-moving research field in the light of technical evolution, spanning over a quarter-century's time (from the 1990s to 2022). A number of topics have been covered in this paper, including the milestone detectors in history, detection datasets, metrics, fundamental building blocks of the detection system, speed-up techniques, and the recent state-of-the-art detection methods.

We report a flexible language-model based deep learning strategy, applied here to solve complex forward and inverse problems in protein modeling, based on an attention neural network that integrates transformer and graph convolutional architectures in a causal multi-headed graph mechanism, to realize a generative pretrained model. The model is applied to predict secondary structure content (per-residue level and overall content), protein solubility, and sequencing tasks. Further trained on inverse tasks, the model is rendered capable of designing proteins with these properties as target features. The model is formulated as a general framework, completely prompt-based, and can be adapted for a variety of downstream tasks. We find that adding additional tasks yields emergent synergies that the model exploits in improving overall performance, beyond what would be possible by training a model on each dataset alone. Case studies are presented to validate the method, yielding protein designs specifically focused on structural proteins, but also exploring the applicability in the design of soluble, antimicrobial biomaterials. While our model is trained to ultimately perform 8 distinct tasks, with available datasets it can be extended to solve additional problems. In a broader sense, this work illustrates a form of multiscale modeling that relates a set of ultimate building blocks (here, byte-level utf8 characters) to complex output. This materiomic scheme captures complex emergent relationships between universal building block and resulting properties via a synergizing learning capacity to express a set of potentialities embedded in the knowledge used in training, via the interplay of universality and diversity.

Contrastive Language-Image Pre-training (CLIP) has emerged as a simple yet effective way to train large-scale vision-language models. CLIP demonstrates impressive zero-shot classification and retrieval on diverse downstream tasks. However, to leverage its full potential, fine-tuning still appears to be necessary. Fine-tuning the entire CLIP model can be resource-intensive and unstable. Moreover, recent methods that aim to circumvent this need for fine-tuning still require access to images from the target distribution. In this paper, we pursue a different approach and explore the regime of training-free "name-only transfer" in which the only knowledge we possess about the downstream task comprises the names of downstream target categories. We propose a novel method, SuS-X, consisting of two key building blocks -- SuS and TIP-X, that requires neither intensive fine-tuning nor costly labelled data. SuS-X achieves state-of-the-art zero-shot classification results on 19 benchmark datasets. We further show the utility of TIP-X in the training-free few-shot setting, where we again achieve state-of-the-art results over strong training-free baselines. Code is available at https://github.com/vishaal27/SuS-X.

Existing models for extractive summarization are usually trained from scratch with a cross-entropy loss, which does not explicitly capture the global context at the document level. In this paper, we aim to improve this task by introducing three auxiliary pre-training tasks that learn to capture the document-level context in a self-supervised fashion. Experiments on the widely-used CNN/DM dataset validate the effectiveness of the proposed auxiliary tasks. Furthermore, we show that after pre-training, a clean model with simple building blocks is able to outperform previous state-of-the-art that are carefully designed.

Although deep learning has made great progress in recent years, the exploding economic and environmental costs of training neural networks are becoming unsustainable. To address this problem, there has been a great deal of research on *algorithmically-efficient deep learning*, which seeks to reduce training costs not at the hardware or implementation level, but through changes in the semantics of the training program. In this paper, we present a structured and comprehensive overview of the research in this field. First, we formalize the *algorithmic speedup* problem, then we use fundamental building blocks of algorithmically efficient training to develop a taxonomy. Our taxonomy highlights commonalities of seemingly disparate methods and reveals current research gaps. Next, we present evaluation best practices to enable comprehensive, fair, and reliable comparisons of speedup techniques. To further aid research and applications, we discuss common bottlenecks in the training pipeline (illustrated via experiments) and offer taxonomic mitigation strategies for them. Finally, we highlight some unsolved research challenges and present promising future directions.

Transformer-based language models (LMs) are at the core of modern NLP, but their internal prediction construction process is opaque and largely not understood. In this work, we make a substantial step towards unveiling this underlying prediction process, by reverse-engineering the operation of the feed-forward network (FFN) layers, one of the building blocks of transformer models. We view the token representation as a changing distribution over the vocabulary, and the output from each FFN layer as an additive update to that distribution. Then, we analyze the FFN updates in the vocabulary space, showing that each update can be decomposed to sub-updates corresponding to single FFN parameter vectors, each promoting concepts that are often human-interpretable. We then leverage these findings for controlling LM predictions, where we reduce the toxicity of GPT2 by almost 50%, and for improving computation efficiency with a simple early exit rule, saving 20% of computation on average.

Inverted bottleneck layers, which are built upon depthwise convolutions, have been the predominant building blocks in state-of-the-art object detection models on mobile devices. In this work, we investigate the optimality of this design pattern over a broad range of mobile accelerators by revisiting the usefulness of regular convolutions. We discover that regular convolutions are a potent component to boost the latency-accuracy trade-off for object detection on accelerators, provided that they are placed strategically in the network via neural architecture search. By incorporating regular convolutions in the search space and directly optimizing the network architectures for object detection, we obtain a family of object detection models, MobileDets, that achieve state-of-the-art results across mobile accelerators. On the COCO object detection task, MobileDets outperform MobileNetV3+SSDLite by 1.7 mAP at comparable mobile CPU inference latencies. MobileDets also outperform MobileNetV2+SSDLite by 1.9 mAP on mobile CPUs, 3.7 mAP on Google EdgeTPU, 3.4 mAP on Qualcomm Hexagon DSP and 2.7 mAP on Nvidia Jetson GPU without increasing latency. Moreover, MobileDets are comparable with the state-of-the-art MnasFPN on mobile CPUs even without using the feature pyramid, and achieve better mAP scores on both EdgeTPUs and DSPs with up to 2x speedup. Code and models are available in the TensorFlow Object Detection API: https://github.com/tensorflow/models/tree/master/research/object_detection.