Daily Papers

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.

Commercial organisations are holding and processing an ever-increasing amount of personal data. Policies and laws are continually changing to require these companies to be more transparent regarding the collection, storage, processing and sharing of this data. This paper reports our work of taking Booking.com as a case study to visualise personal data flows extracted from their privacy policy. By showcasing how the company shares its consumers' personal data, we raise questions and extend discussions on the challenges and limitations of using privacy policies to inform online users about the true scale and the landscape of personal data flows. This case study can inform us about future research on more data flow-oriented privacy policy analysis and on the construction of a more comprehensive ontology on personal data flows in complicated business ecosystems.

Pretraining transformers are generally time-consuming. Fully quantized training (FQT) is a promising approach to speed up pretraining. However, most FQT methods adopt a quantize-compute-dequantize procedure, which often leads to suboptimal speedup and significant performance degradation when used in transformers due to the high memory access overheads and low-precision computations. In this work, we propose Jetfire, an efficient and accurate INT8 training method specific to transformers. Our method features an INT8 data flow to optimize memory access and a per-block quantization method to maintain the accuracy of pretrained transformers. Extensive experiments demonstrate that our INT8 FQT method achieves comparable accuracy to the FP16 training baseline and outperforms the existing INT8 training works for transformers. Moreover, for a standard transformer block, our method offers an end-to-end training speedup of 1.42x and a 1.49x memory reduction compared to the FP16 baseline.

Pre-trained models for programming language have achieved dramatic empirical improvements on a variety of code-related tasks such as code search, code completion, code summarization, etc. However, existing pre-trained models regard a code snippet as a sequence of tokens, while ignoring the inherent structure of code, which provides crucial code semantics and would enhance the code understanding process. We present GraphCodeBERT, a pre-trained model for programming language that considers the inherent structure of code. Instead of taking syntactic-level structure of code like abstract syntax tree (AST), we use data flow in the pre-training stage, which is a semantic-level structure of code that encodes the relation of "where-the-value-comes-from" between variables. Such a semantic-level structure is neat and does not bring an unnecessarily deep hierarchy of AST, the property of which makes the model more efficient. We develop GraphCodeBERT based on Transformer. In addition to using the task of masked language modeling, we introduce two structure-aware pre-training tasks. One is to predict code structure edges, and the other is to align representations between source code and code structure. We implement the model in an efficient way with a graph-guided masked attention function to incorporate the code structure. We evaluate our model on four tasks, including code search, clone detection, code translation, and code refinement. Results show that code structure and newly introduced pre-training tasks can improve GraphCodeBERT and achieves state-of-the-art performance on the four downstream tasks. We further show that the model prefers structure-level attentions over token-level attentions in the task of code search.

The classification of fifth-generation New-Radio (5G-NR) mobile network traffic is an emerging topic in the field of telecommunications. It can be utilized for quality of service (QoS) management and dynamic resource allocation. However, traditional approaches such as Deep Packet Inspection (DPI) can not be directly applied to encrypted data flows. Therefore, new real-time encrypted traffic classification algorithms need to be investigated to handle dynamic transmission. In this study, we examine the real-time encrypted 5G Non-Standalone (NSA) application-level traffic classification using physical channel records. Due to the vastness of their features, decision-tree-based gradient boosting algorithms are a viable approach for classification. We generate a noise-limited 5G NSA trace dataset with traffic from multiple applications. We develop a new pipeline to convert sequences of physical channel records into numerical vectors. A set of machine learning models are tested, and we propose our solution based on Light Gradient Boosting Machine (LGBM) due to its advantages in fast parallel training and low computational burden in practical scenarios. Our experiments demonstrate that our algorithm can achieve 95% accuracy on the classification task with a state-of-the-art response time as quick as 10ms.

Code clones are semantically similar code fragments pairs that are syntactically similar or different. Detection of code clones can help to reduce the cost of software maintenance and prevent bugs. Numerous approaches of detecting code clones have been proposed previously, but most of them focus on detecting syntactic clones and do not work well on semantic clones with different syntactic features. To detect semantic clones, researchers have tried to adopt deep learning for code clone detection to automatically learn latent semantic features from data. Especially, to leverage grammar information, several approaches used abstract syntax trees (AST) as input and achieved significant progress on code clone benchmarks in various programming languages. However, these AST-based approaches still can not fully leverage the structural information of code fragments, especially semantic information such as control flow and data flow. To leverage control and data flow information, in this paper, we build a graph representation of programs called flow-augmented abstract syntax tree (FA-AST). We construct FA-AST by augmenting original ASTs with explicit control and data flow edges. Then we apply two different types of graph neural networks (GNN) on FA-AST to measure the similarity of code pairs. As far as we have concerned, we are the first to apply graph neural networks on the domain of code clone detection. We apply our FA-AST and graph neural networks on two Java datasets: Google Code Jam and BigCloneBench. Our approach outperforms the state-of-the-art approaches on both Google Code Jam and BigCloneBench tasks.

Large Language Models (LLMs) are combined with plugins to create powerful LLM agents that provide a wide range of services. Unlike traditional software, LLM agent's behavior is determined at runtime by natural language prompts from either user or plugin's data. This flexibility enables a new computing paradigm with unlimited capabilities and programmability, but also introduces new security risks, vulnerable to privilege escalation attacks. Moreover, user prompt is prone to be interpreted in an insecure way by LLM agents, creating non-deterministic behaviors that can be exploited by attackers. To address these security risks, we propose Prompt Flow Integrity (PFI), a system security-oriented solution to prevent privilege escalation in LLM agents. Analyzing the architectural characteristics of LLM agents, PFI features three mitigation techniques -- i.e., untrusted data identification, enforcing least privilege on LLM agents, and validating unsafe data flows. Our evaluation result shows that PFI effectively mitigates privilege escalation attacks while successfully preserving the utility of LLM agents.

Large language models (LLMs) excel at generating human-like responses but often struggle with interactive tasks that require access to real-time information. This limitation poses challenges in finance, where models must access up-to-date information, such as recent news or price movements, to support decision-making. To address this, we introduce Financial Agent, a knowledge-grounding approach for LLMs to handle financial queries using real-time text and tabular data. Our contributions are threefold: First, we develop a Financial Context Dataset of over 50,000 financial queries paired with the required context. Second, we train FinBloom 7B, a custom 7 billion parameter LLM, on 14 million financial news articles from Reuters and Deutsche Presse-Agentur, alongside 12 million Securities and Exchange Commission (SEC) filings. Third, we fine-tune FinBloom 7B using the Financial Context Dataset to serve as a Financial Agent. This agent generates relevant financial context, enabling efficient real-time data retrieval to answer user queries. By reducing latency and eliminating the need for users to manually provide accurate data, our approach significantly enhances the capability of LLMs to handle dynamic financial tasks. Our proposed approach makes real-time financial decisions, algorithmic trading and other related tasks streamlined, and is valuable in contexts with high-velocity data flows.

The interactions between DNA, RNA, and proteins are fundamental to biological processes, as illustrated by the central dogma of molecular biology. Although modern biological pre-trained models have achieved great success in analyzing these macromolecules individually, their interconnected nature remains underexplored. This paper follows the guidance of the central dogma to redesign both the data and model pipeline and offers a comprehensive framework, Life-Code, that spans different biological functions. As for data flow, we propose a unified pipeline to integrate multi-omics data by reverse-transcribing RNA and reverse-translating amino acids into nucleotide-based sequences. As for the model, we design a codon tokenizer and a hybrid long-sequence architecture to encode the interactions between coding and non-coding regions through masked modeling pre-training. To model the translation and folding process with coding sequences, Life-Code learns protein structures of the corresponding amino acids by knowledge distillation from off-the-shelf protein language models. Such designs enable Life-Code to capture complex interactions within genetic sequences, providing a more comprehensive understanding of multi-omics with the central dogma. Extensive experiments show that Life-Code achieves state-of-the-art results on various tasks across three omics, highlighting its potential for advancing multi-omics analysis and interpretation.

Pre-trained Programming Language Models (PPLMs) achieved many recent states of the art results for many code-related software engineering tasks. Though some studies use data flow or propose tree-based models that utilize Abstract Syntax Tree (AST), most PPLMs do not fully utilize the rich syntactical information in source code. Still, the input is considered a sequence of tokens. There are two issues; the first is computational inefficiency due to the quadratic relationship between input length and attention complexity. Second, any syntactical information, when needed as an extra input to the current PPLMs, requires the model to be pre-trained from scratch, wasting all the computational resources already used for pre-training the current models. In this work, we propose Named Entity Recognition (NER) adapters, lightweight modules that can be inserted into Transformer blocks to learn type information extracted from the AST. These adapters can be used with current PPLMs such as CodeBERT, GraphCodeBERT, and CodeT5. We train the NER adapters using a novel Token Type Classification objective function (TTC). We insert our proposed work in CodeBERT, building CodeBERTER, and evaluate the performance on two tasks of code refinement and code summarization. CodeBERTER improves the accuracy of code refinement from 16.4 to 17.8 while using 20% of training parameter budget compared to the fully fine-tuning approach, and the BLEU score of code summarization from 14.75 to 15.90 while reducing 77% of training parameters compared to the fully fine-tuning approach.

As one of the energy-efficient alternatives of conventional neural networks (CNNs), spiking neural networks (SNNs) have gained more and more interest recently. To train the deep models, some effective batch normalization (BN) techniques are proposed in SNNs. All these BNs are suggested to be used after the convolution layer as usually doing in CNNs. However, the spiking neuron is much more complex with the spatio-temporal dynamics. The regulated data flow after the BN layer will be disturbed again by the membrane potential updating operation before the firing function, i.e., the nonlinear activation. Therefore, we advocate adding another BN layer before the firing function to normalize the membrane potential again, called MPBN. To eliminate the induced time cost of MPBN, we also propose a training-inference-decoupled re-parameterization technique to fold the trained MPBN into the firing threshold. With the re-parameterization technique, the MPBN will not introduce any extra time burden in the inference. Furthermore, the MPBN can also adopt the element-wised form, while these BNs after the convolution layer can only use the channel-wised form. Experimental results show that the proposed MPBN performs well on both popular non-spiking static and neuromorphic datasets. Our code is open-sourced at https://github.com/yfguo91/MPBN{MPBN}.

Transformers were originally proposed as a sequence-to-sequence model for text but have become vital for a wide range of modalities, including images, audio, video, and undirected graphs. However, transformers for directed graphs are a surprisingly underexplored topic, despite their applicability to ubiquitous domains including source code and logic circuits. In this work, we propose two direction- and structure-aware positional encodings for directed graphs: (1) the eigenvectors of the Magnetic Laplacian - a direction-aware generalization of the combinatorial Laplacian; (2) directional random walk encodings. Empirically, we show that the extra directionality information is useful in various downstream tasks, including correctness testing of sorting networks and source code understanding. Together with a data-flow-centric graph construction, our model outperforms the prior state of the art on the Open Graph Benchmark Code2 relatively by 14.7%.

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

As hardware design complexity escalates, there is an urgent need for advanced automation in electronic design automation (EDA). Traditional register transfer level (RTL) design methods are manual, time-consuming, and prone to errors. While commercial (instruction-tuned) large language models (LLMs) shows promising performance for automation, they pose security and privacy concerns. Open-source models offer alternatives; however, they frequently fall short in quality/correctness, largely due to limited, high-quality RTL code data essential for effective training and generalization. This paper proposes RTL++, a first-of-its-kind LLM-assisted method for RTL code generation that utilizes graph representations of code structures to enhance the quality of generated code. By encoding RTL code into a textualized control flowgraphs (CFG) and data flow graphs (DFG), RTL++ captures the inherent hierarchy, dependencies, and relationships within the code. This structured graph-based approach enhances the context available to LLMs, enabling them to better understand and generate instructions. By focusing on data generation through graph representations, RTL++ addresses the limitations of previous approaches that rely solely on code and suffer from lack of diversity. Experimental results demonstrate that RTL++ outperforms state-of-the-art models fine-tuned for RTL generation, as evaluated using the VerilogEval benchmark's Pass@1/5/10 metric, as well as the RTLLM1.1 model, which highlight the effectiveness of graph-enhanced context in advancing the capabilities of LLM-assisted RTL code generation.

We present a novel application of evolutionary algorithms to automate the creation of powerful foundation models. While model merging has emerged as a promising approach for LLM development due to its cost-effectiveness, it currently relies on human intuition and domain knowledge, limiting its potential. Here, we propose an evolutionary approach that overcomes this limitation by automatically discovering effective combinations of diverse open-source models, harnessing their collective intelligence without requiring extensive additional training data or compute. Our approach operates in both parameter space and data flow space, allowing for optimization beyond just the weights of the individual models. This approach even facilitates cross-domain merging, generating models like a Japanese LLM with Math reasoning capabilities. Surprisingly, our Japanese Math LLM achieved state-of-the-art performance on a variety of established Japanese LLM benchmarks, even surpassing models with significantly more parameters, despite not being explicitly trained for such tasks. Furthermore, a culturally-aware Japanese VLM generated through our approach demonstrates its effectiveness in describing Japanese culture-specific content, outperforming previous Japanese VLMs. This work not only contributes new state-of-the-art models back to the open-source community, but also introduces a new paradigm for automated model composition, paving the way for exploring alternative, efficient approaches to foundation model development.

Code auditing is the process of reviewing code with the aim of identifying bugs. Large Language Models (LLMs) have demonstrated promising capabilities for this task without requiring compilation, while also supporting user-friendly customization. However, auditing a code repository with LLMs poses significant challenges: limited context windows and hallucinations can degrade the quality of bug reports, and analyzing large-scale repositories incurs substantial time and token costs, hindering efficiency and scalability. This work introduces an LLM-based agent, RepoAudit, designed to perform autonomous repository-level code auditing. Equipped with agent memory, RepoAudit explores the codebase on demand by analyzing data-flow facts along feasible program paths within individual functions. It further incorporates a validator module to mitigate hallucinations by verifying data-flow facts and checking the satisfiability of path conditions associated with potential bugs, thereby reducing false positives. RepoAudit detects 40 true bugs across 15 real-world benchmark projects with a precision of 78.43%, requiring on average only 0.44 hours and $2.54 per project. Also, it detects 185 new bugs in high-profile projects, among which 174 have been confirmed or fixed. We have open-sourced RepoAudit at https://github.com/PurCL/RepoAudit.

Programming languages possess rich semantic information such as data flow that is represented by graphs and not available from the surface form of source code. Recent code language models have scaled to billions of parameters, but model source code solely as text tokens while ignoring any other structural information. Conversely, models that do encode structural information of code make modifications to the Transformer architecture, limiting their scale and compatibility with pretrained LLMs. In this work, we take the best of both worlds with GALLa - Graph Aligned Large Language Model. GALLa utilizes graph neural networks and cross-modal alignment technologies to inject the structural information of code into LLMs as an auxiliary task during finetuning. This framework is both model-agnostic and task-agnostic, as it can be applied to any code LLM for any code downstream task, and requires the structural graph data only at training time from a corpus unrelated to the finetuning data, while incurring no cost at inference time over the baseline LLM. Experiments on five code tasks with four different baseline LLMs ranging in size from 350M to 8B validate the effectiveness of GALLa, demonstrating consistent improvement over the baseline, even for powerful models such as LLaMA3.

Learning effective representations of source code is critical for any Machine Learning for Software Engineering (ML4SE) system. Inspired by natural language processing, large language models (LLMs) like Codex and CodeGen treat code as generic sequences of text and are trained on huge corpora of code data, achieving state of the art performance on several software engineering (SE) tasks. However, valid source code, unlike natural language, follows a strict structure and pattern governed by the underlying grammar of the programming language. Current LLMs do not exploit this property of the source code as they treat code like a sequence of tokens and overlook key structural and semantic properties of code that can be extracted from code-views like the Control Flow Graph (CFG), Data Flow Graph (DFG), Abstract Syntax Tree (AST), etc. Unfortunately, the process of generating and integrating code-views for every programming language is cumbersome and time consuming. To overcome this barrier, we propose our tool COMEX - a framework that allows researchers and developers to create and combine multiple code-views which can be used by machine learning (ML) models for various SE tasks. Some salient features of our tool are: (i) it works directly on source code (which need not be compilable), (ii) it currently supports Java and C#, (iii) it can analyze both method-level snippets and program-level snippets by using both intra-procedural and inter-procedural analysis, and (iv) it is easily extendable to other languages as it is built on tree-sitter - a widely used incremental parser that supports over 40 languages. We believe this easy-to-use code-view generation and customization tool will give impetus to research in source code representation learning methods and ML4SE. Tool: https://pypi.org/project/comex - GitHub: https://github.com/IBM/tree-sitter-codeviews - Demo: https://youtu.be/GER6U87FVbU

Graph representations of programs are commonly a central element of machine learning for code research. We introduce an open source Python library python_graphs that applies static analysis to construct graph representations of Python programs suitable for training machine learning models. Our library admits the construction of control-flow graphs, data-flow graphs, and composite ``program graphs'' that combine control-flow, data-flow, syntactic, and lexical information about a program. We present the capabilities and limitations of the library, perform a case study applying the library to millions of competitive programming submissions, and showcase the library's utility for machine learning research.

The rise of large language models (LLMs) has enabled LLM-based applications (a.k.a. AI agents or co-pilots), a new software paradigm that combines the strength of LLM and conventional software. Diverse LLM applications from different tenants could design complex workflows using multiple LLM requests to accomplish one task. However, they have to use the over-simplified request-level API provided by today's public LLM services, losing essential application-level information. Public LLM services have to blindly optimize individual LLM requests, leading to sub-optimal end-to-end performance of LLM applications. This paper introduces Parrot, an LLM service system that focuses on the end-to-end experience of LLM-based applications. Parrot proposes Semantic Variable, a unified abstraction to expose application-level knowledge to public LLM services. A Semantic Variable annotates an input/output variable in the prompt of a request, and creates the data pipeline when connecting multiple LLM requests, providing a natural way to program LLM applications. Exposing Semantic Variables to the public LLM service allows it to perform conventional data flow analysis to uncover the correlation across multiple LLM requests. This correlation opens a brand-new optimization space for the end-to-end performance of LLM-based applications. Extensive evaluations demonstrate that Parrot can achieve up to an order-of-magnitude improvement for popular and practical use cases of LLM applications.

Large language models (LLMs) have showcased remarkable prowess in code generation. However, automated code generation is still challenging since it requires a high-level semantic mapping between natural language requirements and codes. Most existing LLMs-based approaches for code generation rely on decoder-only causal language models often treate codes merely as plain text tokens, i.e., feeding the requirements as a prompt input, and outputing code as flat sequence of tokens, potentially missing the rich semantic features inherent in source code. To bridge this gap, this paper proposes the "Semantic Chain-of-Thought" approach to intruduce semantic information of code, named SeCoT. Our motivation is that the semantic information of the source code (\eg data flow and control flow) describes more precise program execution behavior, intention and function. By guiding LLM consider and integrate semantic information, we can achieve a more granular understanding and representation of code, enhancing code generation accuracy. Meanwhile, while traditional techniques leveraging such semantic information require complex static or dynamic code analysis to obtain features such as data flow and control flow, SeCoT demonstrates that this process can be fully automated via the intrinsic capabilities of LLMs (i.e., in-context learning), while being generalizable and applicable to challenging domains. While SeCoT can be applied with different LLMs, this paper focuses on the powerful GPT-style models: ChatGPT(close-source model) and WizardCoder(open-source model). The experimental study on three popular DL benchmarks (i.e., HumanEval, HumanEval-ET and MBPP) shows that SeCoT can achieves state-of-the-art performance, greatly improving the potential for large models and code generation.

Large Language Models' success on text generation has also made them better at code generation and coding tasks. While a lot of work has demonstrated their remarkable performance on tasks such as code completion and editing, it is still unclear as to why. We help bridge this gap by exploring to what degree auto-regressive models understand the logical constructs of the underlying programs. We propose Counterfactual Analysis for Programming Concept Predicates (CACP) as a counterfactual testing framework to evaluate whether Large Code Models understand programming concepts. With only black-box access to the model, we use CACP to evaluate ten popular Large Code Models for four different programming concepts. Our findings suggest that current models lack understanding of concepts such as data flow and control flow.

Large Language Models (LLMs) are increasingly deployed in agentic systems that interact with an external environment. However, LLM agents are vulnerable to prompt injection attacks when handling untrusted data. In this paper we propose CaMeL, a robust defense that creates a protective system layer around the LLM, securing it even when underlying models may be susceptible to attacks. To operate, CaMeL explicitly extracts the control and data flows from the (trusted) query; therefore, the untrusted data retrieved by the LLM can never impact the program flow. To further improve security, CaMeL relies on a notion of a capability to prevent the exfiltration of private data over unauthorized data flows. We demonstrate effectiveness of CaMeL by solving 67% of tasks with provable security in AgentDojo [NeurIPS 2024], a recent agentic security benchmark.

Optics and lenses are abstract categorical gadgets that model systems with bidirectional data flow. In this paper we observe that the denotational definition of optics - identifying two optics as equivalent by observing their behaviour from the outside - is not suitable for operational, software oriented approaches where optics are not merely observed, but built with their internal setups in mind. We identify operational differences between denotationally isomorphic categories of cartesian optics and lenses: their different composition rule and corresponding space-time tradeoffs, positioning them at two opposite ends of a spectrum. With these motivations we lift the existing categorical constructions and their relationships to the 2-categorical level, showing that the relevant operational concerns become visible. We define the 2-category 2-Optic(C) whose 2-cells explicitly track optics' internal configuration. We show that the 1-category Optic(C) arises by locally quotienting out the connected components of this 2-category. We show that the embedding of lenses into cartesian optics gets weakened from a functor to an oplax functor whose oplaxator now detects the different composition rule. We determine the difficulties in showing this functor forms a part of an adjunction in any of the standard 2-categories. We establish a conjecture that the well-known isomorphism between cartesian lenses and optics arises out of the lax 2-adjunction between their double-categorical counterparts. In addition to presenting new research, this paper is also meant to be an accessible introduction to the topic.

Knowledge graphs have been proven extremely useful in powering diverse applications in semantic search and natural language understanding. In this paper, we present GraphGen4Code, a toolkit to build code knowledge graphs that can similarly power various applications such as program search, code understanding, bug detection, and code automation. GraphGen4Code uses generic techniques to capture code semantics with the key nodes in the graph representing classes, functions, and methods. Edges indicate function usage (e.g., how data flows through function calls, as derived from program analysis of real code), and documentation about functions (e.g., code documentation, usage documentation, or forum discussions such as StackOverflow). Our toolkit uses named graphs in RDF to model graphs per program, or can output graphs as JSON. We show the scalability of the toolkit by applying it to 1.3 million Python files drawn from GitHub, 2,300 Python modules, and 47 million forum posts. This results in an integrated code graph with over 2 billion triples. We make the toolkit to build such graphs as well as the sample extraction of the 2 billion triples graph publicly available to the community for use.

The Mixture of Experts architecture allows for outrageously large neural networks by scaling model parameter size independently from computational demand (FLOPs). However, current DNN frameworks cannot effectively support the dynamic data flow in Mixture of Experts, and implementations on top of these frameworks need to use workarounds that introduce significant overheads. To address the limitation of these frameworks, we present DynaMoE, a DNN library that uses dynamic recompilations to optimize and adapt the use of computational resources to the dynamic needs of Mixture of Experts models. Our evaluation shows that DynaMoE achieves a 1.8x speedup and supports 2.3x larger model sizes when compared to existing MoE systems, even when not using recompilations. We then present further optimizations enabled by dynamic recompilations that yield an additional 1.7x speedup while simultaneously reducing memory pressure and improving model quality.

Recently, the tokens of images share the same static data flow in many dense networks. However, challenges arise from the variance among the objects in images, such as large variations in the spatial scale and difficulties of recognition for visual entities. In this paper, we propose a data-dependent token routing strategy to elaborate the routing paths of image tokens for Dynamic Vision Transformer, dubbed DiT. The proposed framework generates a data-dependent path per token, adapting to the object scales and visual discrimination of tokens. In feed-forward, the differentiable routing gates are designed to select the scaling paths and feature transformation paths for image tokens, leading to multi-path feature propagation. In this way, the impact of object scales and visual discrimination of image representation can be carefully tuned. Moreover, the computational cost can be further reduced by giving budget constraints to the routing gate and early-stopping of feature extraction. In experiments, our DiT achieves superior performance and favorable complexity/accuracy trade-offs than many SoTA methods on ImageNet classification, object detection, instance segmentation, and semantic segmentation. Particularly, the DiT-B5 obtains 84.8\% top-1 Acc on ImageNet with 10.3 GFLOPs, which is 1.0\% higher than that of the SoTA method with similar computational complexity. These extensive results demonstrate that DiT can serve as versatile backbones for various vision tasks.

DL compiler's primary function is to translate DNN programs written in high-level DL frameworks such as PyTorch and TensorFlow into portable executables. These executables can then be flexibly executed by the deployed host programs. However, existing DL compilers rely on a tracing mechanism, which involves feeding a runtime input to a neural network program and tracing the program execution paths to generate the computational graph necessary for compilation. Unfortunately, this mechanism falls short when dealing with modern dynamic neural networks (DyNNs) that possess varying computational graphs depending on the inputs. Consequently, conventional DL compilers struggle to accurately compile DyNNs into executable code. To address this limitation, we propose \tool, a general approach that enables any existing DL compiler to successfully compile DyNNs. \tool tackles the dynamic nature of DyNNs by introducing a compilation mechanism that redistributes the control and data flow of the original DNN programs during the compilation process. Specifically, \tool develops program analysis and program transformation techniques to convert a dynamic neural network into multiple sub-neural networks. Each sub-neural network is devoid of conditional statements and is compiled independently. Furthermore, \tool synthesizes a host module that models the control flow of the DyNNs and facilitates the invocation of the sub-neural networks. Our evaluation demonstrates the effectiveness of \tool, achieving a 100\% success rate in compiling all dynamic neural networks. Moreover, the compiled executables generated by \tool exhibit significantly improved performance, running between 1.12times and 20.21times faster than the original DyNNs executed on general-purpose DL frameworks.

Security vulnerabilities in modern software are prevalent and harmful. While automated vulnerability detection tools have made promising progress, their scalability and applicability remain challenging. Recently, Large Language Models (LLMs), such as GPT-4 and CodeLlama, have demonstrated remarkable performance on code-related tasks. However, it is unknown whether such LLMs can do complex reasoning over code. In this work, we explore whether pre-trained LLMs can detect security vulnerabilities and address the limitations of existing tools. We evaluate the effectiveness of pre-trained LLMs on a set of five diverse security benchmarks spanning two languages, Java and C/C++, and including code samples from synthetic and real-world projects. We evaluate the effectiveness of LLMs in terms of their performance, explainability, and robustness. By designing a series of effective prompting strategies, we obtain the best results on the synthetic datasets with GPT-4: F1 scores of 0.79 on OWASP, 0.86 on Juliet Java, and 0.89 on Juliet C/C++. Expectedly, the performance of LLMs drops on the more challenging real-world datasets: CVEFixes Java and CVEFixes C/C++, with GPT-4 reporting F1 scores of 0.48 and 0.62, respectively. We show that LLMs can often perform better than existing static analysis and deep learning-based vulnerability detection tools, especially for certain classes of vulnerabilities. Moreover, LLMs also often provide reliable explanations, identifying the vulnerable data flows in code. We find that fine-tuning smaller LLMs can outperform the larger LLMs on synthetic datasets but provide limited gains on real-world datasets. When subjected to adversarial attacks on code, LLMs show mild degradation, with average accuracy reduction of up to 12.67%. Finally, we share our insights and recommendations for future work on leveraging LLMs for vulnerability detection.

Machine learning (ML) has become crucial in modern life, with growing interest from researchers and the public. Despite its potential, a significant entry barrier prevents widespread adoption, making it challenging for non-experts to understand and implement ML techniques. The increasing desire to leverage ML is counterbalanced by its technical complexity, creating a gap between potential and practical application. This work introduces asanAI, an offline-first, open-source, no-code machine learning toolkit designed for users of all skill levels. It allows individuals to design, debug, train, and test ML models directly in a web browser, eliminating the need for software installations and coding. The toolkit runs on any device with a modern web browser, including smartphones, and ensures user privacy through local computations while utilizing WebGL for enhanced GPU performance. Users can quickly experiment with neural networks and train custom models using various data sources, supported by intuitive visualizations of network structures and data flows. asanAI simplifies the teaching of ML concepts in educational settings and is released under an open-source MIT license, encouraging modifications. It also supports exporting models in industry-ready formats, empowering a diverse range of users to effectively learn and apply machine learning in their projects. The proposed toolkit is successfully utilized by researchers of ScaDS.AI to swiftly draft and test machine learning ideas, by trainers to effectively educate enthusiasts, and by teachers to introduce contemporary ML topics in classrooms with minimal effort and high clarity.

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.

Continual Learning (CL) investigates how to train Deep Networks on a stream of tasks without incurring forgetting. CL settings proposed in literature assume that every incoming example is paired with ground-truth annotations. However, this clashes with many real-world applications: gathering labeled data, which is in itself tedious and expensive, becomes infeasible when data flow as a stream. This work explores Continual Semi-Supervised Learning (CSSL): here, only a small fraction of labeled input examples are shown to the learner. We assess how current CL methods (e.g.: EWC, LwF, iCaRL, ER, GDumb, DER) perform in this novel and challenging scenario, where overfitting entangles forgetting. Subsequently, we design a novel CSSL method that exploits metric learning and consistency regularization to leverage unlabeled examples while learning. We show that our proposal exhibits higher resilience to diminishing supervision and, even more surprisingly, relying only on 25% supervision suffices to outperform SOTA methods trained under full supervision.

Given a large and evolving codebase, the ability to automatically generate holistic, architecture-aware documentation that captures not only individual functions but also cross-file, cross-module, and system-level interactions remains an open challenge. Comprehensive documentation is essential for long-term software maintenance and collaboration, yet current automated approaches still fail to model the rich semantic dependencies and architectural structures that define real-world software systems. We present CodeWiki, a unified framework for automated repository-level documentation across seven programming languages. CodeWiki introduces three key innovations: (i) hierarchical decomposition that preserves architectural context across multiple levels of granularity, (ii) recursive multi-agent processing with dynamic task delegation for scalable generation, and (iii) multi-modal synthesis that integrates textual descriptions with visual artifacts such as architecture diagrams and data-flow representations. To enable rigorous evaluation, we introduce CodeWikiBench, a comprehensive benchmark featuring multi-dimensional rubrics and LLM-based assessment protocols. Experimental results show that CodeWiki achieves a 68.79\% quality score with proprietary models, outperforming the closed-source DeepWiki baseline (64.06\%) by 4.73\%, with particularly strong improvements on high-level scripting languages (+10.47\%). We open-source CodeWiki to foster future research and community adoption.

In recent years, large language models (LLMs) have made significant progress in code intelligence, yet systematically evaluating their code understanding and reasoning abilities remains challenging. Mainstream benchmarks such as HumanEval and MBPP primarily assess functional correctness, while reasoning benchmarks like CRUXEVAL are limited to single-function, low-complexity scenarios. As a result, advanced models achieve nearly saturated scores, limiting their discriminative power. To address this, we present STEPWISE-CODEX-Bench (SX-Bench), a novel benchmark designed for complex multi-function understanding and fine-grained execution reasoning. SX-Bench features tasks involving collaboration among multiple sub-functions (e.g., chained calls, nested loops), shifting evaluation towards overall control and data flow modeling. It defines "computation steps" as the minimal execution unit and requires models to predict the total number of steps in reasoning tasks, thereby assessing a model's in-depth understanding of dynamic execution beyond simple I/O matching. Evaluation on over 20 mainstream models (including 14 reasoning-enhanced models) demonstrates that SX-Bench is highly discriminative: even the state-of-the-art OpenAI-O3 achieves only 78.37 percent accuracy on Hard-Reasoning tasks, much lower than its saturated scores on previous benchmarks, thereby revealing bottlenecks in complex and fine-grained reasoning. We also release an automated pipeline combining program synthesis, symbolic execution, and LLM-aided validation for efficient benchmark generation and quality assurance. SX-Bench advances code evaluation from "single-function verification" to "multi-function dynamic reasoning," providing a key tool for the in-depth assessment of advanced code intelligence models.

Large Language Models (LLM) are a new class of computation engines, "programmed" via prompt engineering. We are still learning how to best "program" these LLMs to help developers. We start with the intuition that developers tend to consciously and unconsciously have a collection of semantics facts in mind when working on coding tasks. Mostly these are shallow, simple facts arising from a quick read. For a function, examples of facts might include parameter and local variable names, return expressions, simple pre- and post-conditions, and basic control and data flow, etc. One might assume that the powerful multi-layer architecture of transformer-style LLMs makes them inherently capable of doing this simple level of "code analysis" and extracting such information, implicitly, while processing code: but are they, really? If they aren't, could explicitly adding this information help? Our goal here is to investigate this question, using the code summarization task and evaluate whether automatically augmenting an LLM's prompt with semantic facts explicitly, actually helps. Prior work shows that LLM performance on code summarization benefits from few-shot samples drawn either from the same-project or from examples found via information retrieval methods (such as BM25). While summarization performance has steadily increased since the early days, there is still room for improvement: LLM performance on code summarization still lags its performance on natural-language tasks like translation and text summarization. We find that adding semantic facts actually does help! This approach improves performance in several different settings suggested by prior work, including for two different Large Language Models. In most cases, improvement nears or exceeds 2 BLEU; for the PHP language in the challenging CodeSearchNet dataset, this augmentation actually yields performance surpassing 30 BLEU.

As large language models (LLMs) excel at code reasoning, a natural question arises: can an LLM execute programs (i.e., act as an interpreter) purely based on a programming language's formal semantics? If so, it will enable rapid prototyping of new programming languages and language features. We study this question using the imperative language IMP (a subset of C), formalized via small-step operational semantics (SOS) and rewriting-based operational semantics (K-semantics). We introduce three evaluation sets-Human-Written, LLM-Translated, and Fuzzer- Generated-whose difficulty is controlled by code-complexity metrics spanning the size, control-flow, and data-flow axes. Given a program and its semantics formalized with SOS/K-semantics, models are evaluated on three tasks ranging from coarse to fine: (1) final-state prediction, (2) semantic rule prediction, and (3) execution trace prediction. To distinguish pretraining memorization from semantic competence, we define two nonstandard semantics obtained through systematic mutations of the standard rules. Across strong code/reasoning LLMs, performance drops under nonstandard semantics despite high performance under the standard one. We further find that (i) there are patterns to different model failures, (ii) most reasoning models perform exceptionally well on coarse grained tasks involving reasoning about highly complex programs often containing nested loop depths beyond five, and surprisingly, (iii) providing formal semantics helps on simple programs but often hurts on more complex ones. Overall, the results show a promise that LLMs could serve as programming language interpreters, but points to the lack of their robust semantics understanding. We release the benchmark and the supporting code at https://github.com/EngineeringSoftware/PLSemanticsBench.

Multi-agent systems (MAS) are critical for automating complex tasks, yet their practical deployment is severely hampered by the challenge of failure attribution. Current diagnostic tools, which rely on statistical correlations, are fundamentally inadequate; on challenging benchmarks like Who\&When, state-of-the-art methods achieve less than 15\% accuracy in locating the root-cause step of a failure. To address this critical gap, we introduce the first failure attribution framework for MAS grounded in multi-granularity causal inference. Our approach makes two key technical contributions: (1) a performance causal inversion principle, which correctly models performance dependencies by reversing the data flow in execution logs, combined with Shapley values to accurately assign agent-level blame; (2) a novel causal discovery algorithm, CDC-MAS, that robustly identifies critical failure steps by tackling the non-stationary nature of MAS interaction data. The framework's attribution results directly fuel an automated optimization loop, generating targeted suggestions whose efficacy is validated via counterfactual simulations. Evaluations on the Who\&When and TRAIL benchmarks demonstrate a significant leap in performance. Our method achieves up to 36.2\% step-level accuracy. Crucially, the generated optimizations boost overall task success rates by an average of 22.4\%. This work provides a principled and effective solution for debugging complex agent interactions, paving the way for more reliable and interpretable multi-agent systems.

Large language models (LLMs) have recently shown impressive results on diverse code-related tasks, benefiting from large-scale training and instruction tuning. However, studies reveal that their grasp of fundamental programming concepts, such as data flow and control flow, remains shallow, leading to fragile performance when code requires deeper reasoning. This limitation restricts the practical adoption of LLMs in real-world software development. To address this issue, this work introduces a counterfactual code augmentation framework combined with concept-aware tuning, designed to guide LLMs toward stronger conceptual understanding. Comprehensive evaluation across multiple models and benchmarks demonstrates the effectiveness of the proposed approach.

Large Language Models (LLMs) have demonstrated their potential in hardware design tasks, such as Hardware Description Language (HDL) generation and debugging. Yet, their performance in real-world, repository-level HDL projects with thousands or even tens of thousands of code lines is hindered. To this end, we propose HDLxGraph, a novel framework that integrates Graph Retrieval Augmented Generation (Graph RAG) with LLMs, introducing HDL-specific graph representations by incorporating Abstract Syntax Trees (ASTs) and Data Flow Graphs (DFGs) to capture both code graph view and hardware graph view. HDLxGraph utilizes a dual-retrieval mechanism that not only mitigates the limited recall issues inherent in similarity-based semantic retrieval by incorporating structural information, but also enhances its extensibility to various real-world tasks by a task-specific retrieval finetuning. Additionally, to address the lack of comprehensive HDL search benchmarks, we introduce HDLSearch, a multi-granularity evaluation dataset derived from real-world repository-level projects. Experimental results demonstrate that HDLxGraph significantly improves average search accuracy, debugging efficiency and completion quality by 12.04%, 12.22% and 5.04% compared to similarity-based RAG, respectively. The code of HDLxGraph and collected HDLSearch benchmark are available at https://github.com/Nick-Zheng-Q/HDLxGraph.

Though LLMs are capable of generating plausible programs, it's challenging to interact with the LLMs further to revise the program, especially if the user's specific requirements are different from the initial proposal. In this paper, we introduce ANPL, an interactive programming system that ensures users can always refine the generated code towards their specific programmatic intents via structured decompositions. Borrowing the paradigm of sketching from program synthesis, an ANPL program consists of a set of input-outputs that it must satisfy, a ``sketch'' -- control/data flow expressed in precise code (e.g. Python), and ``holes'' -- sub-modules to be implemented by the LLM specified with natural language. The user revises an ANPL program by either modifying the sketch, changing the language used to describe the holes, or providing additional input-outputs to a particular hole, turning it into a sub-ANPL program that can be solved recursively. This workflow allows the users to offload programming burdens to the LLM as much as possible while retaining the ability to pinpoint and resolve bugs locally, without exposing the rest of the program to the LLM. We deploy ANPL on the Abstraction and Reasoning Corpus (ARC), a set of unique tasks that are challenging for state-of-the-art AI systems, showing it outperforms baseline programming systems that (a) without the ability to decompose tasks interactively and (b) without the guarantee that the modules can be correctly composed together. Additional evaluations on APPS, HumanEval, and real-world programming tasks have validated that the ANPL framework is applicable to multiple programming domains. We release the ANPL solutions to the ARC tasks as a dataset, providing insights into how humans decompose novel tasks programmatically. See our code at https://iprc-dip.github.io/ANPL/.

Large language models excel at function- and file-level code generation, yet generating complete repositories from scratch remains a fundamental challenge. This process demands coherent and reliable planning across proposal- and implementation-level stages, while natural language, due to its ambiguity and verbosity, is ill-suited for faithfully representing complex software structures. To address this, we introduce the Repository Planning Graph (RPG), a persistent representation that unifies proposal- and implementation-level planning by encoding capabilities, file structures, data flows, and functions in one graph. RPG replaces ambiguous natural language with an explicit blueprint, enabling long-horizon planning and scalable repository generation. Building on RPG, we develop ZeroRepo, a graph-driven framework for repository generation from scratch. It operates in three stages: proposal-level planning and implementation-level refinement to construct the graph, followed by graph-guided code generation with test validation. To evaluate this setting, we construct RepoCraft, a benchmark of six real-world projects with 1,052 tasks. On RepoCraft, ZeroRepo produces repositories averaging nearly 36K LOC, roughly 3.9times the strongest baseline (Claude Code) and about 64times other baselines. It attains 81.5% functional coverage and a 69.7% pass rate, exceeding Claude Code by 27.3 and 35.8 percentage points, respectively. Further analysis shows that RPG models complex dependencies, enables progressively more sophisticated planning through near-linear scaling, and enhances LLM understanding of repositories, thereby accelerating agent localization.

Many real-world systems exhibit temporal, dynamic behaviors, which are captured as time series of complex agent interactions. To perform temporal reasoning, current methods primarily encode temporal dynamics through simple sequence-based models. However, in general these models fail to efficiently capture the full spectrum of rich dynamics in the input, since the dynamics is not uniformly distributed. In particular, relevant information might be harder to extract and computing power is wasted for processing all individual timesteps, even if they contain no significant changes or no new information. Here we propose TimeGraphs, a novel approach that characterizes dynamic interactions as a hierarchical temporal graph, diverging from traditional sequential representations. Our approach models the interactions using a compact graph-based representation, enabling adaptive reasoning across diverse time scales. Adopting a self-supervised method, TimeGraphs constructs a multi-level event hierarchy from a temporal input, which is then used to efficiently reason about the unevenly distributed dynamics. This construction process is scalable and incremental to accommodate streaming data. We evaluate TimeGraphs on multiple datasets with complex, dynamic agent interactions, including a football simulator, the Resistance game, and the MOMA human activity dataset. The results demonstrate both robustness and efficiency of TimeGraphs on a range of temporal reasoning tasks. Our approach obtains state-of-the-art performance and leads to a performance increase of up to 12.2% on event prediction and recognition tasks over current approaches. Our experiments further demonstrate a wide array of capabilities including zero-shot generalization, robustness in case of data sparsity, and adaptability to streaming data flow.

Code LLMs have become extremely popular recently for modeling source code across a variety of tasks, such as generation, translation, and summarization. However, transformer-based models are limited in their capabilities to reason through structured, analytical properties of code, such as control and data flow. Previous work has explored the modeling of these properties with structured data and graph neural networks. However, these approaches lack the generative capabilities and scale of modern LLMs. In this work, we introduce a novel approach to combine the strengths of modeling both code as text and more structured forms.

Evaluation metrics play a vital role in the growth of an area as it defines the standard of distinguishing between good and bad models. In the area of code synthesis, the commonly used evaluation metric is BLEU or perfect accuracy, but they are not suitable enough to evaluate codes, because BLEU is originally designed to evaluate the natural language, neglecting important syntactic and semantic features of codes, and perfect accuracy is too strict thus it underestimates different outputs with the same semantic logic. To remedy this, we introduce a new automatic evaluation metric, dubbed CodeBLEU. It absorbs the strength of BLEU in the n-gram match and further injects code syntax via abstract syntax trees (AST) and code semantics via data-flow. We conduct experiments by evaluating the correlation coefficient between CodeBLEU and quality scores assigned by the programmers on three code synthesis tasks, i.e., text-to-code, code translation, and code refinement. Experimental results show that our proposed CodeBLEU can achieve a better correlation with programmer assigned scores compared with BLEU and accuracy.

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.

Introduction: The paper addresses the challenging problem of predicting the short-term realized volatility of the Bitcoin price using order flow information. The inherent stochastic nature and anti-persistence of price pose difficulties in accurate prediction. Methods: To address this, we propose a method that transforms order flow data over a fixed time interval (snapshots) into images. The order flow includes trade sizes, trade directions, and limit order book, and is mapped into image colour channels. These images are then used to train both a simple 3-layer Convolutional Neural Network (CNN) and more advanced ResNet-18 and ConvMixer, with additionally supplementing them with hand-crafted features. The models are evaluated against classical GARCH, Multilayer Perceptron trained on raw data, and a naive guess method that considers current volatility as a prediction. Results: The experiments are conducted using price data from January 2021 and evaluate model performance in terms of root mean square error (RMSPE). The results show that our order flow representation with a CNN as a predictive model achieves the best performance, with an RMSPE of 0.85+/-1.1 for the model with aggregated features and 1.0+/-1.4 for the model without feature supplementation. ConvMixer with feature supplementation follows closely. In comparison, the RMSPE for the naive guess method was 1.4+/-3.0.

When interacting with highly dynamic environments, scene flow allows autonomous systems to reason about the non-rigid motion of multiple independent objects. This is of particular interest in the field of autonomous driving, in which many cars, people, bicycles, and other objects need to be accurately tracked. Current state-of-the-art methods require annotated scene flow data from autonomous driving scenes to train scene flow networks with supervised learning. As an alternative, we present a method of training scene flow that uses two self-supervised losses, based on nearest neighbors and cycle consistency. These self-supervised losses allow us to train our method on large unlabeled autonomous driving datasets; the resulting method matches current state-of-the-art supervised performance using no real world annotations and exceeds state-of-the-art performance when combining our self-supervised approach with supervised learning on a smaller labeled dataset.

Currently, high-dimensional data is ubiquitous in data science, which necessitates the development of techniques to decompose and interpret such multidimensional (aka tensor) datasets. Finding a low dimensional representation of the data, that is, its inherent structure, is one of the approaches that can serve to understand the dynamics of low dimensional latent features hidden in the data. Nonnegative RESCAL is one such technique, particularly well suited to analyze self-relational data, such as dynamic networks found in international trade flows. Nonnegative RESCAL computes a low dimensional tensor representation by finding the latent space containing multiple modalities. Estimating the dimensionality of this latent space is crucial for extracting meaningful latent features. Here, to determine the dimensionality of the latent space with nonnegative RESCAL, we propose a latent dimension determination method which is based on clustering of the solutions of multiple realizations of nonnegative RESCAL decompositions. We demonstrate the performance of our model selection method on synthetic data and then we apply our method to decompose a network of international trade flows data from International Monetary Fund and validate the resulting features against empirical facts from economic literature.

Institutional investors have been increasing the allocation of the illiquid alternative assets such as private equity funds in their portfolios, yet there exists a very limited literature on cash flow forecasting of illiquid alternative assets. The net cash flow of private equity funds typically follow a J-curve pattern, however the timing and the size of the contributions and distributions depend on the investment opportunities. In this paper, we develop a benchmark model and present two novel approaches (direct vs. indirect) to predict the cash flows of private equity funds. We introduce a sliding window approach to apply on our cash flow data because different vintage year funds contain different lengths of cash flow information. We then pass the data to an LSTM/ GRU model to predict the future cash flows either directly or indirectly (based on the benchmark model). We further integrate macroeconomic indicators into our data, which allows us to consider the impact of market environment on cash flows and to apply stress testing. Our results indicate that the direct model is easier to implement compared to the benchmark model and the indirect model, but still the predicted cash flows align better with the actual cash flows. We also show that macroeconomic variables improve the performance of the direct model whereas the impact is not obvious on the indirect model.

Tables are prevalent in real-world databases, requiring significant time and effort for humans to analyze and manipulate. The advancements in large language models (LLMs) have made it possible to interact with tables using natural language input, bringing this capability closer to reality. In this paper, we present TableGPT, a unified fine-tuned framework that enables LLMs to understand and operate on tables using external functional commands. It introduces the capability to seamlessly interact with tables, enabling a wide range of functionalities such as question answering, data manipulation (e.g., insert, delete, query, and modify operations), data visualization, analysis report generation, and automated prediction. TableGPT aims to provide convenience and accessibility to users by empowering them to effortlessly leverage tabular data. At the core of TableGPT lies the novel concept of global tabular representations, which empowers LLMs to gain a comprehensive understanding of the entire table beyond meta-information. By jointly training LLMs on both table and text modalities, TableGPT achieves a deep understanding of tabular data and the ability to perform complex operations on tables through chain-of-command instructions. Importantly, TableGPT offers the advantage of being a self-contained system rather than relying on external API interfaces. Moreover, it supports efficient data process flow, query rejection (when appropriate) and private deployment, enabling faster domain data fine-tuning and ensuring data privacy, which enhances the framework's adaptability to specific use cases.

Traffic light control is important for reducing congestion in urban mobility systems. This paper proposes a real-time traffic light control method using deep Q learning. Our approach incorporates a reward function considering queue lengths, delays, travel time, and throughput. The model dynamically decides phase changes based on current traffic conditions. The training of the deep Q network involves an offline stage from pre-generated data with fixed schedules and an online stage using real-time traffic data. A deep Q network structure with a "phase gate" component is used to simplify the model's learning task under different phases. A "memory palace" mechanism is used to address sample imbalance during the training process. We validate our approach using both synthetic and real-world traffic flow data on a road intersecting in Hangzhou, China. Results demonstrate significant performance improvements of the proposed method in reducing vehicle waiting time (57.1% to 100%), queue lengths (40.9% to 100%), and total travel time (16.8% to 68.0%) compared to traditional fixed signal plans.

Tracking pixels in videos is typically studied as an optical flow estimation problem, where every pixel is described with a displacement vector that locates it in the next frame. Even though wider temporal context is freely available, prior efforts to take this into account have yielded only small gains over 2-frame methods. In this paper, we revisit Sand and Teller's "particle video" approach, and study pixel tracking as a long-range motion estimation problem, where every pixel is described with a trajectory that locates it in multiple future frames. We re-build this classic approach using components that drive the current state-of-the-art in flow and object tracking, such as dense cost maps, iterative optimization, and learned appearance updates. We train our models using long-range amodal point trajectories mined from existing optical flow data that we synthetically augment with multi-frame occlusions. We test our approach in trajectory estimation benchmarks and in keypoint label propagation tasks, and compare favorably against state-of-the-art optical flow and feature tracking methods.

Modern 3D generation methods can rapidly create shapes from sparse or single views, but their outputs often lack geometric detail due to computational constraints. We present DetailGen3D, a generative approach specifically designed to enhance these generated 3D shapes. Our key insight is to model the coarse-to-fine transformation directly through data-dependent flows in latent space, avoiding the computational overhead of large-scale 3D generative models. We introduce a token matching strategy that ensures accurate spatial correspondence during refinement, enabling local detail synthesis while preserving global structure. By carefully designing our training data to match the characteristics of synthesized coarse shapes, our method can effectively enhance shapes produced by various 3D generation and reconstruction approaches, from single-view to sparse multi-view inputs. Extensive experiments demonstrate that DetailGen3D achieves high-fidelity geometric detail synthesis while maintaining efficiency in training.

We present CosmicMan, a text-to-image foundation model specialized for generating high-fidelity human images. Unlike current general-purpose foundation models that are stuck in the dilemma of inferior quality and text-image misalignment for humans, CosmicMan enables generating photo-realistic human images with meticulous appearance, reasonable structure, and precise text-image alignment with detailed dense descriptions. At the heart of CosmicMan's success are the new reflections and perspectives on data and models: (1) We found that data quality and a scalable data production flow are essential for the final results from trained models. Hence, we propose a new data production paradigm, Annotate Anyone, which serves as a perpetual data flywheel to produce high-quality data with accurate yet cost-effective annotations over time. Based on this, we constructed a large-scale dataset, CosmicMan-HQ 1.0, with 6 Million high-quality real-world human images in a mean resolution of 1488x1255, and attached with precise text annotations deriving from 115 Million attributes in diverse granularities. (2) We argue that a text-to-image foundation model specialized for humans must be pragmatic -- easy to integrate into down-streaming tasks while effective in producing high-quality human images. Hence, we propose to model the relationship between dense text descriptions and image pixels in a decomposed manner, and present Decomposed-Attention-Refocusing (Daring) training framework. It seamlessly decomposes the cross-attention features in existing text-to-image diffusion model, and enforces attention refocusing without adding extra modules. Through Daring, we show that explicitly discretizing continuous text space into several basic groups that align with human body structure is the key to tackling the misalignment problem in a breeze.

We present rectified flow, a surprisingly simple approach to learning (neural) ordinary differential equation (ODE) models to transport between two empirically observed distributions \pi_0 and \pi_1, hence providing a unified solution to generative modeling and domain transfer, among various other tasks involving distribution transport. The idea of rectified flow is to learn the ODE to follow the straight paths connecting the points drawn from \pi_0 and \pi_1 as much as possible. This is achieved by solving a straightforward nonlinear least squares optimization problem, which can be easily scaled to large models without introducing extra parameters beyond standard supervised learning. The straight paths are special and preferred because they are the shortest paths between two points, and can be simulated exactly without time discretization and hence yield computationally efficient models. We show that the procedure of learning a rectified flow from data, called rectification, turns an arbitrary coupling of \pi_0 and \pi_1 to a new deterministic coupling with provably non-increasing convex transport costs. In addition, recursively applying rectification allows us to obtain a sequence of flows with increasingly straight paths, which can be simulated accurately with coarse time discretization in the inference phase. In empirical studies, we show that rectified flow performs superbly on image generation, image-to-image translation, and domain adaptation. In particular, on image generation and translation, our method yields nearly straight flows that give high quality results even with a single Euler discretization step.

Score-based or diffusion models generate high-quality tabular data, surpassing GAN-based and VAE-based models. However, these methods require substantial training time. In this paper, we introduce RecTable, which uses the rectified flow modeling, applied in such as text-to-image generation and text-to-video generation. RecTable features a simple architecture consisting of a few stacked gated linear unit blocks. Additionally, our training strategies are also simple, incorporating a mixed-type noise distribution and a logit-normal timestep distribution. Our experiments demonstrate that RecTable achieves competitive performance compared to the several state-of-the-art diffusion and score-based models while reducing the required training time. Our code is available at https://github.com/fmp453/rectable.

Flow matching has emerged as a compelling generative modeling approach that is widely used across domains. To generate data via a flow matching model, an ordinary differential equation (ODE) is numerically solved via forward integration of the modeled velocity field. To better capture the multi-modality that is inherent in typical velocity fields, hierarchical flow matching was recently introduced. It uses a hierarchy of ODEs that are numerically integrated when generating data. This hierarchy of ODEs captures the multi-modal velocity distribution just like vanilla flow matching is capable of modeling a multi-modal data distribution. While this hierarchy enables to model multi-modal velocity distributions, the complexity of the modeled distribution remains identical across levels of the hierarchy. In this paper, we study how to gradually adjust the complexity of the distributions across different levels of the hierarchy via mini-batch couplings. We show the benefits of mini-batch couplings in hierarchical rectified flow matching via compelling results on synthetic and imaging data. Code is available at https://riccizz.github.io/HRF_coupling.

We present the Influence Flower, a new visual metaphor for the influence profile of academic entities, including people, projects, institutions, conferences, and journals. While many tools quantify influence, we aim to expose the flow of influence between entities. The Influence Flower is an ego-centric graph, with a query entity placed in the centre. The petals are styled to reflect the strength of influence to and from other entities of the same or different type. For example, one can break down the incoming and outgoing influences of a research lab by research topics. The Influence Flower uses a recent snapshot of Microsoft Academic Graph, consisting of 212million authors, their 176 million publications, and 1.2 billion citations. An interactive web app, Influence Map, is constructed around this central metaphor for searching and curating visualisations. We also propose a visual comparison method that highlights change in influence patterns over time. We demonstrate through several case studies that the Influence Flower supports data-driven inquiries about the following: researchers' careers over time; paper(s) and projects, including those with delayed recognition; the interdisciplinary profile of a research institution; and the shifting topical trends in conferences. We also use this tool on influence data beyond academic citations, by contrasting the academic and Twitter activities of a researcher.

Existing optical flow methods are erroneous in challenging scenes, such as fog, rain, and night because the basic optical flow assumptions such as brightness and gradient constancy are broken. To address this problem, we present an unsupervised learning approach that fuses gyroscope into optical flow learning. Specifically, we first convert gyroscope readings into motion fields named gyro field. Second, we design a self-guided fusion module to fuse the background motion extracted from the gyro field with the optical flow and guide the network to focus on motion details. To the best of our knowledge, this is the first deep learning-based framework that fuses gyroscope data and image content for optical flow learning. To validate our method, we propose a new dataset that covers regular and challenging scenes. Experiments show that our method outperforms the state-of-art methods in both regular and challenging scenes. Code and dataset are available at https://github.com/megvii-research/GyroFlow.

Training datasets are inherently imperfect, often containing mislabeled samples due to human annotation errors, limitations of tagging models, and other sources of noise. Such label contamination can significantly degrade the performance of a trained model. In this work, we introduce Self-Purifying Flow Matching (SPFM), a principled approach to filtering unreliable data within the flow-matching framework. SPFM identifies suspicious data using the model itself during the training process, bypassing the need for pretrained models or additional modules. Our experiments demonstrate that models trained with SPFM generate samples that accurately adhere to the specified conditioning, even when trained on noisy labels. Furthermore, we validate the robustness of SPFM on the TITW dataset, which consists of in-the-wild speech data, achieving performance that surpasses existing baselines.

Large language models (LLMs) provide a new way to build chatbots by accepting natural language prompts. Yet, it is unclear how to design prompts to power chatbots to carry on naturalistic conversations while pursuing a given goal, such as collecting self-report data from users. We explore what design factors of prompts can help steer chatbots to talk naturally and collect data reliably. To this aim, we formulated four prompt designs with different structures and personas. Through an online study (N = 48) where participants conversed with chatbots driven by different designs of prompts, we assessed how prompt designs and conversation topics affected the conversation flows and users' perceptions of chatbots. Our chatbots covered 79% of the desired information slots during conversations, and the designs of prompts and topics significantly influenced the conversation flows and the data collection performance. We discuss the opportunities and challenges of building chatbots with LLMs.

Armed conflict has led to an unprecedented number of internally displaced persons (IDPs) - individuals who are forced out of their homes but remain within their country. IDPs often urgently require shelter, food, and healthcare, yet prediction of when large fluxes of IDPs will cross into an area remains a major challenge for aid delivery organizations. Accurate forecasting of IDP migration would empower humanitarian aid groups to more effectively allocate resources during conflicts. We show that monthly flow of IDPs from province to province in both Syria and Yemen can be accurately forecasted one month in advance, using publicly available data. We model monthly IDP flow using data on food price, fuel price, wage, geospatial, and news data. We find that machine learning approaches can more accurately forecast migration trends than baseline persistence models. Our findings thus potentially enable proactive aid allocation for IDPs in anticipation of forecasted arrivals.

Analysis of pre-trained code models also has revealed that they can effectively learn program syntax. However, these works are limited in analyzing code syntax and their distance-based approaches are not accurate due to the curse of high dimensionality. Furthermore, the study of the learnt program semantics of these models is rarely discussed. To further understand the code features learnt by these models, in this paper, we target two well-known representative code pre-trained models (i.e., CodeBERT and GraphCodeBERT) and devise a set of probing tasks for the syntax and semantics analysis. Specifically, on one hand, we design two probing tasks (i.e., syntax pair node prediction and token tagging prediction) to manipulate AST for the understanding of learnt program syntax. On the other hand, we design two tasks (i.e., semantic relationship prediction and semantic propagation prediction(inGraph) ) on the constructed control flow graph (CFG), data dependency graph (DDG) and control dependency graph (CDG) for the learnt program semantic analysis. In addition, to understand which kind of program semantics these pre-trained models can comprehend well, we conduct the statistical analysis for attention weights learnt by different heads and layers. Through extensive analysis in terms of program syntax and semantics, we have the following findings: 1) Both CodeBERT and GraphCodeBERT can learn the program syntax well. 2) Both CodeBERT and GraphCodeBERT can learn program semantics to different extents. GraphCodeBERT is superior to CodeBERT in learning program control flow and data dependency information but has a similar capability to CodeBERT in learning control dependency information. 3) Both CodeBERT and GraphCodeBERT can capture program semantics in the final layer of representation, but different attention heads and layers exhibit different roles in learning program semantics.

We introduce UniOcc, a comprehensive, unified benchmark for occupancy forecasting (i.e., predicting future occupancies based on historical information) and current-frame occupancy prediction from camera images. UniOcc unifies data from multiple real-world datasets (i.e., nuScenes, Waymo) and high-fidelity driving simulators (i.e., CARLA, OpenCOOD), which provides 2D/3D occupancy labels with per-voxel flow annotations and support for cooperative autonomous driving. In terms of evaluation, unlike existing studies that rely on suboptimal pseudo labels for evaluation, UniOcc incorporates novel metrics that do not depend on ground-truth occupancy, enabling robust assessment of additional aspects of occupancy quality. Through extensive experiments on state-of-the-art models, we demonstrate that large-scale, diverse training data and explicit flow information significantly enhance occupancy prediction and forecasting performance.

Vector similarity search presents significant challenges in terms of scalability for large and high-dimensional datasets, as well as in providing native support for hybrid queries. Serverless computing and cloud functions offer attractive benefits such as elasticity and cost-effectiveness, but are difficult to apply to data-intensive workloads. Jointly addressing these two main challenges, we present SQUASH, the first fully serverless vector search solution with rich support for hybrid queries. It features OSQ, an optimized and highly parallelizable quantization-based approach for vectors and attributes. Its segment-based storage mechanism enables significant compression in resource-constrained settings and offers efficient dimensional extraction operations. SQUASH performs a single distributed pass to guarantee the return of sufficiently many vectors satisfying the filter predicate, achieving high accuracy and avoiding redundant computation for vectors which fail the predicate. A multi-level search workflow is introduced to prune most vectors early to minimize the load on Function-as-a-Service (FaaS) instances. SQUASH is designed to identify and utilize retention of relevant data in re-used runtime containers, which eliminates redundant I/O and reduces costs. Finally, we demonstrate a new tree-based method for rapid FaaS invocation, enabling the bi-directional flow of data via request/response payloads. Experiments comparing SQUASH with state-of-the-art serverless vector search solutions and server-based baselines on vector search benchmarks confirm significant performance improvements at a lower cost.

Large language models (LLMs) are leading significant progress in code generation. Beyond one-pass code generation, recent works further integrate unit tests and program verifiers into LLMs to iteratively refine the generated programs. However, these works consider the generated programs as an indivisible entity, which falls short for LLMs in debugging the programs, especially when the programs contain complex logic flows and data operations. In contrast, when human developers debug programs, they typically set breakpoints and selectively examine runtime execution information. The execution flow and the intermediate variables play a crucial role in the debugging process, yet they are underutilized in the existing literature on code generation. In this study, we introduce Large Language Model Debugger (LDB), a novel debugging framework that enables LLMs to refine their generated programs with the runtime execution information. Specifically, LDB segments the programs into basic blocks and tracks the values of intermediate variables after each block throughout the runtime execution. This allows LLMs to concentrate on simpler code units within the overall execution flow, verify their correctness against the task description block by block, and efficiently pinpoint any potential errors. Experiments demonstrate that LDB consistently enhances the baseline performance by up to 9.8% across the HumanEval, MBPP, and TransCoder benchmarks, archiving new state-of-the-art performance in code debugging for various LLM selections.

Academic and policy proposals on algorithmic accountability often seek to understand algorithmic systems in their socio-technical context, recognising that they are produced by 'many hands'. Increasingly, however, algorithmic systems are also produced, deployed, and used within a supply chain comprising multiple actors tied together by flows of data between them. In such cases, it is the working together of an algorithmic supply chain of different actors who contribute to the production, deployment, use, and functionality that drives systems and produces particular outcomes. We argue that algorithmic accountability discussions must consider supply chains and the difficult implications they raise for the governance and accountability of algorithmic systems. In doing so, we explore algorithmic supply chains, locating them in their broader technical and political economic context and identifying some key features that should be understood in future work on algorithmic governance and accountability (particularly regarding general purpose AI services). To highlight ways forward and areas warranting attention, we further discuss some implications raised by supply chains: challenges for allocating accountability stemming from distributed responsibility for systems between actors, limited visibility due to the accountability horizon, service models of use and liability, and cross-border supply chains and regulatory arbitrage

We introduce **SWE-Flow**, a novel data synthesis framework grounded in Test-Driven Development (TDD). Unlike existing software engineering data that rely on human-submitted issues, **SWE-Flow** automatically infers incremental development steps directly from unit tests, which inherently encapsulate high-level requirements. The core of **SWE-Flow** is the construction of a Runtime Dependency Graph (RDG), which precisely captures function interactions, enabling the generation of a structured, step-by-step *development schedule*. At each step, **SWE-Flow** produces a partial codebase, the corresponding unit tests, and the necessary code modifications, resulting in fully verifiable TDD tasks. With this approach, we generated 16,061 training instances and 2,020 test instances from real-world GitHub projects, creating the **SWE-Flow-Eval** benchmark. Our experiments show that fine-tuning open model on this dataset significantly improves performance in TDD-based coding. To facilitate further research, we release all code, datasets, models, and Docker images at [Github](https://github.com/Hambaobao/SWE-Flow).

State-of-the-art flow models achieve remarkable quality but require slow, iterative sampling. To accelerate this, flow maps can be distilled from pre-trained teachers, a procedure that conventionally requires sampling from an external dataset. We argue that this data-dependency introduces a fundamental risk of Teacher-Data Mismatch, as a static dataset may provide an incomplete or even misaligned representation of the teacher's full generative capabilities. This leads us to question whether this reliance on data is truly necessary for successful flow map distillation. In this work, we explore a data-free alternative that samples only from the prior distribution, a distribution the teacher is guaranteed to follow by construction, thereby circumventing the mismatch risk entirely. To demonstrate the practical viability of this philosophy, we introduce a principled framework that learns to predict the teacher's sampling path while actively correcting for its own compounding errors to ensure high fidelity. Our approach surpasses all data-based counterparts and establishes a new state-of-the-art by a significant margin. Specifically, distilling from SiT-XL/2+REPA, our method reaches an impressive FID of 1.45 on ImageNet 256x256, and 1.49 on ImageNet 512x512, both with only 1 sampling step. We hope our work establishes a more robust paradigm for accelerating generative models and motivates the broader adoption of flow map distillation without data.

Flowchart-grounded troubleshooting dialogue (FTD) systems, which follow the instructions of a flowchart to diagnose users' problems in specific domains (e.g., vehicle, laptop), have been gaining research interest in recent years. However, collecting sufficient dialogues that are naturally grounded on flowcharts is costly, thus FTD systems are impeded by scarce training data. To mitigate the data sparsity issue, we propose a plan-based synthetic data generation (PlanSDG) approach that generates diverse synthetic dialog data at scale by transforming concise flowchart into dialogues. Specifically, its generative model employs a variational-base framework with a hierarchical planning strategy that includes global and local latent planning variables. Experiments on the FloDial dataset show that synthetic dialogue produced by PlanSDG improves the performance of downstream tasks, including flowchart path retrieval and response generation, in particular on the Out-of-Flowchart settings. In addition, further analysis demonstrate the quality of synthetic data generated by PlanSDG in paths that are covered by current sample dialogues and paths that are not covered.

Normalizing flows are powerful non-parametric statistical models that function as a hybrid between density estimators and generative models. Current learning algorithms for normalizing flows assume that data points are sampled independently, an assumption that is frequently violated in practice, which may lead to erroneous density estimation and data generation. We propose a likelihood objective of normalizing flows incorporating dependencies between the data points, for which we derive a flexible and efficient learning algorithm suitable for different dependency structures. We show that respecting dependencies between observations can improve empirical results on both synthetic and real-world data, and leads to higher statistical power in a downstream application to genome-wide association studies.

Tabular data is hard to acquire and is subject to missing values. This paper proposes a novel approach to generate and impute mixed-type (continuous and categorical) tabular data using score-based diffusion and conditional flow matching. Contrary to previous work that relies on neural networks as function approximators, we instead utilize XGBoost, a popular Gradient-Boosted Tree (GBT) method. In addition to being elegant, we empirically show on various datasets that our method i) generates highly realistic synthetic data when the training dataset is either clean or tainted by missing data and ii) generates diverse plausible data imputations. Our method often outperforms deep-learning generation methods and can trained in parallel using CPUs without the need for a GPU. To make it easily accessible, we release our code through a Python library on PyPI and an R package on CRAN.

Building LiDAR generative models holds promise as powerful data priors for restoration, scene manipulation, and scalable simulation in autonomous mobile robots. In recent years, approaches using diffusion models have emerged, significantly improving training stability and generation quality. Despite their success, diffusion models require numerous iterations of running neural networks to generate high-quality samples, making the increasing computational cost a potential barrier for robotics applications. To address this challenge, this paper presents R2Flow, a fast and high-fidelity generative model for LiDAR data. Our method is based on rectified flows that learn straight trajectories, simulating data generation with significantly fewer sampling steps compared to diffusion models. We also propose an efficient Transformer-based model architecture for processing the image representation of LiDAR range and reflectance measurements. Our experiments on unconditional LiDAR data generation using the KITTI-360 dataset demonstrate the effectiveness of our approach in terms of both efficiency and quality.

Flow-based 3D generation models typically require dozens of sampling steps during inference. Though few-step distillation methods, particularly Consistency Models (CMs), have achieved substantial advancements in accelerating 2D diffusion models, they remain under-explored for more complex 3D generation tasks. In this study, we propose a novel framework, MDT-dist, for few-step 3D flow distillation. Our approach is built upon a primary objective: distilling the pretrained model to learn the Marginal-Data Transport. Directly learning this objective needs to integrate the velocity fields, while this integral is intractable to be implemented. Therefore, we propose two optimizable objectives, Velocity Matching (VM) and Velocity Distillation (VD), to equivalently convert the optimization target from the transport level to the velocity and the distribution level respectively. Velocity Matching (VM) learns to stably match the velocity fields between the student and the teacher, but inevitably provides biased gradient estimates. Velocity Distillation (VD) further enhances the optimization process by leveraging the learned velocity fields to perform probability density distillation. When evaluated on the pioneer 3D generation framework TRELLIS, our method reduces sampling steps of each flow transformer from 25 to 1 or 2, achieving 0.68s (1 step x 2) and 0.94s (2 steps x 2) latency with 9.0x and 6.5x speedup on A800, while preserving high visual and geometric fidelity. Extensive experiments demonstrate that our method significantly outperforms existing CM distillation methods, and enables TRELLIS to achieve superior performance in few-step 3D generation.

Traffic forecasting is a fundamental task in transportation research, however the scope of current research has mainly focused on a single data modality of loop detectors. Recently, the advances in Artificial Intelligence and drone technologies have made possible novel solutions for efficient, accurate and flexible aerial observations of urban traffic. As a promising traffic monitoring approach, drone-captured data can create an accurate multi-sensor mobility observatory for large-scale urban networks, when combined with existing infrastructure. Therefore, this paper investigates the problem of multi-source traffic speed prediction, simultaneously using drone and loop detector data. A simple yet effective graph-based model HiMSNet is proposed to integrate multiple data modalities and learn spatio-temporal correlations. Detailed analysis shows that predicting accurate segment-level speed is more challenging than the regional speed, especially under high-demand scenarios with heavier congestions and varying traffic dynamics. Utilizing both drone and loop detector data, the prediction accuracy can be improved compared to single-modality cases, when the sensors have lower coverages and are subject to noise. Our simulation study based on vehicle trajectories in a real urban road network has highlighted the added value of integrating drones in traffic forecasting and monitoring.

Advancements in space telescopes have opened new avenues for gathering vast amounts of data on exoplanet atmosphere spectra. However, accurately extracting chemical and physical properties from these spectra poses significant challenges due to the non-linear nature of the underlying physics. This paper presents novel machine learning models developed by the AstroAI team for the Ariel Data Challenge 2023, where one of the models secured the top position among 293 competitors. Leveraging Normalizing Flows, our models predict the posterior probability distribution of atmospheric parameters under different atmospheric assumptions. Moreover, we introduce an alternative model that exhibits higher performance potential than the winning model, despite scoring lower in the challenge. These findings highlight the need to reevaluate the evaluation metric and prompt further exploration of more efficient and accurate approaches for exoplanet atmosphere spectra analysis. Finally, we present recommendations to enhance the challenge and models, providing valuable insights for future applications on real observational data. These advancements pave the way for more effective and timely analysis of exoplanet atmospheric properties, advancing our understanding of these distant worlds.

Shape optimization is essential in aerospace vehicle design, including reentry systems, and propulsion system components, as it directly influences aerodynamic efficiency, structural integrity, and overall mission success. Rapid and accurate prediction of external and internal flows accelerates design iterations. To this end, we develop a new variant of DeepONet, called Fusion-DeepONet as a fast surrogate model for geometry-dependent hypersonic and supersonic flow fields. We evaluated Fusion-DeepONet in learning two external hypersonic flows and a supersonic shape-dependent internal flow problem. First, we compare the performance of Fusion-DeepONet with state-of-the-art neural operators to learn inviscid hypersonic flow around semi-elliptic blunt bodies for two grid types: uniform Cartesian and irregular grids. Fusion-DeepONet provides comparable accuracy to parameter-conditioned U-Net on uniform grids while outperforming MeshGraphNet and Vanilla-DeepONet on irregular grids. Fusion-DeepONet requires significantly fewer trainable parameters than U-Net, MeshGraphNet, and FNO. For the second hypersonic problem, we set up Fusion-DeepONet to map from geometry and free stream Mach number to the temperature field around a reentry capsule traveling at hypersonic speed. This fast surrogate is then improved to predict the spatial derivative of the temperature, resulting in an accurate prediction of heat flux at the surfaces of the capsule. To enhance the accuracy of spatial derivative prediction, we introduce a derivative-enhanced loss term with the least computation overhead. For the third problem, we show that Fusion-DeepONet outperforms MeshGraphNet in learning geometry-dependent supersonic flow in a converging-diverging nozzle configuration. For all the problems, we used high-fidelity simulations with a high-order entropy-stable DGSEM solver to generate training datasets with limited samples.

The estimation of optical flow and 6-DoF ego-motion, two fundamental tasks in 3D vision, has typically been addressed independently. For neuromorphic vision (e.g., event cameras), however, the lack of robust data association makes solving the two problems separately an ill-posed challenge, especially in the absence of supervision via ground truth. Existing works mitigate this ill-posedness by either enforcing the smoothness of the flow field via an explicit variational regularizer or leveraging explicit structure-and-motion priors in the parametrization to improve event alignment. The former notably introduces bias in results and computational overhead, while the latter, which parametrizes the optical flow in terms of the scene depth and the camera motion, often converges to suboptimal local minima. To address these issues, we propose an unsupervised framework that jointly optimizes egomotion and optical flow via implicit spatial-temporal and geometric regularization. First, by modeling camera's egomotion as a continuous spline and optical flow as an implicit neural representation, our method inherently embeds spatial-temporal coherence through inductive biases. Second, we incorporate structure-and-motion priors through differential geometric constraints, bypassing explicit depth estimation while maintaining rigorous geometric consistency. As a result, our framework (called E-MoFlow) unifies egomotion and optical flow estimation via implicit regularization under a fully unsupervised paradigm. Experiments demonstrate its versatility to general 6-DoF motion scenarios, achieving state-of-the-art performance among unsupervised methods and competitive even with supervised approaches.

Data arrives at our senses as a continuous stream, smoothly transforming from one instant to the next. These smooth transformations can be viewed as continuous symmetries of the environment that we inhabit, defining equivalence relations between stimuli over time. In machine learning, neural network architectures that respect symmetries of their data are called equivariant and have provable benefits in terms of generalization ability and sample efficiency. To date, however, equivariance has been considered only for static transformations and feed-forward networks, limiting its applicability to sequence models, such as recurrent neural networks (RNNs), and corresponding time-parameterized sequence transformations. In this work, we extend equivariant network theory to this regime of `flows' -- one-parameter Lie subgroups capturing natural transformations over time, such as visual motion. We begin by showing that standard RNNs are generally not flow equivariant: their hidden states fail to transform in a geometrically structured manner for moving stimuli. We then show how flow equivariance can be introduced, and demonstrate that these models significantly outperform their non-equivariant counterparts in terms of training speed, length generalization, and velocity generalization, on both next step prediction and sequence classification. We present this work as a first step towards building sequence models that respect the time-parameterized symmetries which govern the world around us.

Central to our understanding of chemical reactivity is the principle of mass conservation, which is fundamental for ensuring physical consistency, balancing equations, and guiding reaction design. However, data-driven computational models for tasks such as reaction product prediction rarely abide by this most basic constraint. In this work, we recast the problem of reaction prediction as a problem of electron redistribution using the modern deep generative framework of flow matching. Our model, FlowER, overcomes limitations inherent in previous approaches by enforcing exact mass conservation, thereby resolving hallucinatory failure modes, recovering mechanistic reaction sequences for unseen substrate scaffolds, and generalizing effectively to out-of-domain reaction classes with extremely data-efficient fine-tuning. FlowER additionally enables estimation of thermodynamic or kinetic feasibility and manifests a degree of chemical intuition in reaction prediction tasks. This inherently interpretable framework represents a significant step in bridging the gap between predictive accuracy and mechanistic understanding in data-driven reaction outcome prediction.

Conditional generative modeling aims to learn a conditional data distribution from samples containing data-condition pairs. For this, diffusion and flow-based methods have attained compelling results. These methods use a learned (flow) model to transport an initial standard Gaussian noise that ignores the condition to the conditional data distribution. The model is hence required to learn both mass transport and conditional injection. To ease the demand on the model, we propose Condition-Aware Reparameterization for Flow Matching (CAR-Flow) -- a lightweight, learned shift that conditions the source, the target, or both distributions. By relocating these distributions, CAR-Flow shortens the probability path the model must learn, leading to faster training in practice. On low-dimensional synthetic data, we visualize and quantify the effects of CAR. On higher-dimensional natural image data (ImageNet-256), equipping SiT-XL/2 with CAR-Flow reduces FID from 2.07 to 1.68, while introducing less than 0.6% additional parameters.

Diffusion models create data from noise by inverting the forward paths of data towards noise and have emerged as a powerful generative modeling technique for high-dimensional, perceptual data such as images and videos. Rectified flow is a recent generative model formulation that connects data and noise in a straight line. Despite its better theoretical properties and conceptual simplicity, it is not yet decisively established as standard practice. In this work, we improve existing noise sampling techniques for training rectified flow models by biasing them towards perceptually relevant scales. Through a large-scale study, we demonstrate the superior performance of this approach compared to established diffusion formulations for high-resolution text-to-image synthesis. Additionally, we present a novel transformer-based architecture for text-to-image generation that uses separate weights for the two modalities and enables a bidirectional flow of information between image and text tokens, improving text comprehension, typography, and human preference ratings. We demonstrate that this architecture follows predictable scaling trends and correlates lower validation loss to improved text-to-image synthesis as measured by various metrics and human evaluations. Our largest models outperform state-of-the-art models, and we will make our experimental data, code, and model weights publicly available.

We introduce a new approach to systematically map features discovered by sparse autoencoder across consecutive layers of large language models, extending earlier work that examined inter-layer feature links. By using a data-free cosine similarity technique, we trace how specific features persist, transform, or first appear at each stage. This method yields granular flow graphs of feature evolution, enabling fine-grained interpretability and mechanistic insights into model computations. Crucially, we demonstrate how these cross-layer feature maps facilitate direct steering of model behavior by amplifying or suppressing chosen features, achieving targeted thematic control in text generation. Together, our findings highlight the utility of a causal, cross-layer interpretability framework that not only clarifies how features develop through forward passes but also provides new means for transparent manipulation of large language models.

This paper introduces Bayesian Flow Networks (BFNs), a new class of generative model in which the parameters of a set of independent distributions are modified with Bayesian inference in the light of noisy data samples, then passed as input to a neural network that outputs a second, interdependent distribution. Starting from a simple prior and iteratively updating the two distributions yields a generative procedure similar to the reverse process of diffusion models; however it is conceptually simpler in that no forward process is required. Discrete and continuous-time loss functions are derived for continuous, discretised and discrete data, along with sample generation procedures. Notably, the network inputs for discrete data lie on the probability simplex, and are therefore natively differentiable, paving the way for gradient-based sample guidance and few-step generation in discrete domains such as language modelling. The loss function directly optimises data compression and places no restrictions on the network architecture. In our experiments BFNs achieve competitive log-likelihoods for image modelling on dynamically binarized MNIST and CIFAR-10, and outperform all known discrete diffusion models on the text8 character-level language modelling task.

Recently, vision-language models (e.g. CLIP) have demonstrated remarkable performance in zero-shot anomaly detection (ZSAD). By leveraging auxiliary data during training, these models can directly perform cross-category anomaly detection on target datasets, such as detecting defects on industrial product surfaces or identifying tumors in organ tissues. Existing approaches typically construct text prompts through either manual design or the optimization of learnable prompt vectors. However, these methods face several challenges: 1) handcrafted prompts require extensive expert knowledge and trial-and-error; 2) single-form learnable prompts struggle to capture complex anomaly semantics; and 3) an unconstrained prompt space limits generalization to unseen categories. To address these issues, we propose Bayesian Prompt Flow Learning (Bayes-PFL), which models the prompt space as a learnable probability distribution from a Bayesian perspective. Specifically, a prompt flow module is designed to learn both image-specific and image-agnostic distributions, which are jointly utilized to regularize the text prompt space and improve the model's generalization on unseen categories. These learned distributions are then sampled to generate diverse text prompts, effectively covering the prompt space. Additionally, a residual cross-model attention (RCA) module is introduced to better align dynamic text embeddings with fine-grained image features. Extensive experiments on 15 industrial and medical datasets demonstrate our method's superior performance. The code is available at https://github.com/xiaozhen228/Bayes-PFL.

Simulation-free methods for training continuous-time generative models construct probability paths that go between noise distributions and individual data samples. Recent works, such as Flow Matching, derived paths that are optimal for each data sample. However, these algorithms rely on independent data and noise samples, and do not exploit underlying structure in the data distribution for constructing probability paths. We propose Multisample Flow Matching, a more general framework that uses non-trivial couplings between data and noise samples while satisfying the correct marginal constraints. At very small overhead costs, this generalization allows us to (i) reduce gradient variance during training, (ii) obtain straighter flows for the learned vector field, which allows us to generate high-quality samples using fewer function evaluations, and (iii) obtain transport maps with lower cost in high dimensions, which has applications beyond generative modeling. Importantly, we do so in a completely simulation-free manner with a simple minimization objective. We show that our proposed methods improve sample consistency on downsampled ImageNet data sets, and lead to better low-cost sample generation.

We develop a data-driven deep neural operator framework to approximate multiple output states for a diesel engine and generate real-time predictions with reasonable accuracy. As emission norms become more stringent, the need for fast and accurate models that enable analysis of system behavior have become an essential requirement for system development. The fast transient processes involved in the operation of a combustion engine make it difficult to develop accurate physics-based models for such systems. As an alternative to physics based models, we develop an operator-based regression model (DeepONet) to learn the relevant output states for a mean-value gas flow engine model using the engine operating conditions as input variables. We have adopted a mean-value model as a benchmark for comparison, simulated using Simulink. The developed approach necessitates using the initial conditions of the output states to predict the accurate sequence over the temporal domain. To this end, a sequence-to-sequence approach is embedded into the proposed framework. The accuracy of the model is evaluated by comparing the prediction output to ground truth generated from Simulink model. The maximum mathcal L_2 relative error observed was approximately 6.5%. The sensitivity of the DeepONet model is evaluated under simulated noise conditions and the model shows relatively low sensitivity to noise. The uncertainty in model prediction is further assessed by using a mean ensemble approach. The worst-case error at the (mu + 2sigma) boundary was found to be 12%. The proposed framework provides the ability to predict output states in real-time and enables data-driven learning of complex input-output operator mapping. As a result, this model can be applied during initial development stages, where accurate models may not be available.

Normalising Flows are non-parametric statistical models characterised by their dual capabilities of density estimation and generation. This duality requires an inherently invertible architecture. However, the requirement of invertibility imposes constraints on their expressiveness, necessitating a large number of parameters and innovative architectural designs to achieve good results. Whilst flow-based models predominantly rely on neural-network-based transformations for expressive designs, alternative transformation methods have received limited attention. In this work, we present Ferumal flow, a novel kernelised normalising flow paradigm that integrates kernels into the framework. Our results demonstrate that a kernelised flow can yield competitive or superior results compared to neural network-based flows whilst maintaining parameter efficiency. Kernelised flows excel especially in the low-data regime, enabling flexible non-parametric density estimation in applications with sparse data availability.

Data-driven modelling and synthesis of motion is an active research area with applications that include animation, games, and social robotics. This paper introduces a new class of probabilistic, generative, and controllable motion-data models based on normalising flows. Models of this kind can describe highly complex distributions, yet can be trained efficiently using exact maximum likelihood, unlike GANs or VAEs. Our proposed model is autoregressive and uses LSTMs to enable arbitrarily long time-dependencies. Importantly, is is also causal, meaning that each pose in the output sequence is generated without access to poses or control inputs from future time steps; this absence of algorithmic latency is important for interactive applications with real-time motion control. The approach can in principle be applied to any type of motion since it does not make restrictive, task-specific assumptions regarding the motion or the character morphology. We evaluate the models on motion-capture datasets of human and quadruped locomotion. Objective and subjective results show that randomly-sampled motion from the proposed method outperforms task-agnostic baselines and attains a motion quality close to recorded motion capture.

Directly modeling the explicit likelihood of the raw data distribution is key topic in the machine learning area, which achieves the scaling successes in Large Language Models by autoregressive modeling. However, continuous AR modeling over visual pixel data suffer from extremely long sequences and high-dimensional spaces. In this paper, we present FARMER, a novel end-to-end generative framework that unifies Normalizing Flows (NF) and Autoregressive (AR) models for tractable likelihood estimation and high-quality image synthesis directly from raw pixels. FARMER employs an invertible autoregressive flow to transform images into latent sequences, whose distribution is modeled implicitly by an autoregressive model. To address the redundancy and complexity in pixel-level modeling, we propose a self-supervised dimension reduction scheme that partitions NF latent channels into informative and redundant groups, enabling more effective and efficient AR modeling. Furthermore, we design a one-step distillation scheme to significantly accelerate inference speed and introduce a resampling-based classifier-free guidance algorithm to boost image generation quality. Extensive experiments demonstrate that FARMER achieves competitive performance compared to existing pixel-based generative models while providing exact likelihoods and scalable training.

Recent progress in text-to-music generation has enabled models to synthesize high-quality musical segments, full compositions, and even respond to fine-grained control signals, e.g. chord progressions. State-of-the-art (SOTA) systems differ significantly across many dimensions, such as training datasets, modeling paradigms, and architectural choices. This diversity complicates efforts to evaluate models fairly and pinpoint which design choices most influence performance. While factors like data and architecture are important, in this study we focus exclusively on the modeling paradigm. We conduct a systematic empirical analysis to isolate its effects, offering insights into associated trade-offs and emergent behaviors that can guide future text-to-music generation systems. Specifically, we compare the two arguably most common modeling paradigms: Auto-Regressive decoding and Conditional Flow-Matching. We conduct a controlled comparison by training all models from scratch using identical datasets, training configurations, and similar backbone architectures. Performance is evaluated across multiple axes, including generation quality, robustness to inference configurations, scalability, adherence to both textual and temporally aligned conditioning, and editing capabilities in the form of audio inpainting. This comparative study sheds light on distinct strengths and limitations of each paradigm, providing actionable insights that can inform future architectural and training decisions in the evolving landscape of text-to-music generation. Audio sampled examples are available at: https://huggingface.co/spaces/ortal1602/ARvsFM

Laughter is one of the most expressive and natural aspects of human speech, conveying emotions, social cues, and humor. However, most text-to-speech (TTS) systems lack the ability to produce realistic and appropriate laughter sounds, limiting their applications and user experience. While there have been prior works to generate natural laughter, they fell short in terms of controlling the timing and variety of the laughter to be generated. In this work, we propose ELaTE, a zero-shot TTS that can generate natural laughing speech of any speaker based on a short audio prompt with precise control of laughter timing and expression. Specifically, ELaTE works on the audio prompt to mimic the voice characteristic, the text prompt to indicate the contents of the generated speech, and the input to control the laughter expression, which can be either the start and end times of laughter, or the additional audio prompt that contains laughter to be mimicked. We develop our model based on the foundation of conditional flow-matching-based zero-shot TTS, and fine-tune it with frame-level representation from a laughter detector as additional conditioning. With a simple scheme to mix small-scale laughter-conditioned data with large-scale pre-training data, we demonstrate that a pre-trained zero-shot TTS model can be readily fine-tuned to generate natural laughter with precise controllability, without losing any quality of the pre-trained zero-shot TTS model. Through the evaluations, we show that ELaTE can generate laughing speech with significantly higher quality and controllability compared to conventional models. See https://aka.ms/elate/ for demo samples.

Despite Flow Matching and diffusion models having emerged as powerful generative paradigms for continuous variables such as images and videos, their application to high-dimensional discrete data, such as language, is still limited. In this work, we present Discrete Flow Matching, a novel discrete flow paradigm designed specifically for generating discrete data. Discrete Flow Matching offers several key contributions: (i) it works with a general family of probability paths interpolating between source and target distributions; (ii) it allows for a generic formula for sampling from these probability paths using learned posteriors such as the probability denoiser (x-prediction) and noise-prediction (epsilon-prediction); (iii) practically, focusing on specific probability paths defined with different schedulers considerably improves generative perplexity compared to previous discrete diffusion and flow models; and (iv) by scaling Discrete Flow Matching models up to 1.7B parameters, we reach 6.7% Pass@1 and 13.4% Pass@10 on HumanEval and 6.7% Pass@1 and 20.6% Pass@10 on 1-shot MBPP coding benchmarks. Our approach is capable of generating high-quality discrete data in a non-autoregressive fashion, significantly closing the gap between autoregressive models and discrete flow models.

Paired RGB-thermal data is crucial for visual-thermal sensor fusion and cross-modality tasks, including important applications such as multi-modal image alignment and retrieval. However, the scarcity of synchronized and calibrated RGB-thermal image pairs presents a major obstacle to progress in these areas. To overcome this challenge, RGB-to-Thermal (RGB-T) image translation has emerged as a promising solution, enabling the synthesis of thermal images from abundant RGB datasets for training purposes. In this study, we propose ThermalGen, an adaptive flow-based generative model for RGB-T image translation, incorporating an RGB image conditioning architecture and a style-disentangled mechanism. To support large-scale training, we curated eight public satellite-aerial, aerial, and ground RGB-T paired datasets, and introduced three new large-scale satellite-aerial RGB-T datasets--DJI-day, Bosonplus-day, and Bosonplus-night--captured across diverse times, sensor types, and geographic regions. Extensive evaluations across multiple RGB-T benchmarks demonstrate that ThermalGen achieves comparable or superior translation performance compared to existing GAN-based and diffusion-based methods. To our knowledge, ThermalGen is the first RGB-T image translation model capable of synthesizing thermal images that reflect significant variations in viewpoints, sensor characteristics, and environmental conditions. Project page: http://xjh19971.github.io/ThermalGen

Despite advances in the programmable logic capabilities of modern trigger systems, a significant bottleneck remains in the amount of data to be transported from the detector to off-detector logic where trigger decisions are made. We demonstrate that a neural network autoencoder model can be implemented in a radiation tolerant ASIC to perform lossy data compression alleviating the data transmission problem while preserving critical information of the detector energy profile. For our application, we consider the high-granularity calorimeter from the CMS experiment at the CERN Large Hadron Collider. The advantage of the machine learning approach is in the flexibility and configurability of the algorithm. By changing the neural network weights, a unique data compression algorithm can be deployed for each sensor in different detector regions, and changing detector or collider conditions. To meet area, performance, and power constraints, we perform a quantization-aware training to create an optimized neural network hardware implementation. The design is achieved through the use of high-level synthesis tools and the hls4ml framework, and was processed through synthesis and physical layout flows based on a LP CMOS 65 nm technology node. The flow anticipates 200 Mrad of ionizing radiation to select gates, and reports a total area of 3.6 mm^2 and consumes 95 mW of power. The simulated energy consumption per inference is 2.4 nJ. This is the first radiation tolerant on-detector ASIC implementation of a neural network that has been designed for particle physics applications.

Audio generation, including speech, music and sound effects, has advanced rapidly in recent years. These tasks can be divided into two categories: time-aligned (TA) tasks, where each input unit corresponds to a specific segment of the output audio (e.g., phonemes aligned with frames in speech synthesis); and non-time-aligned (NTA) tasks, where such alignment is not available. Since modeling paradigms for the two types are typically different, research on different audio generation tasks has traditionally followed separate trajectories. However, audio is not inherently divided into such categories, making a unified model a natural and necessary goal for general audio generation. Previous unified audio generation works have adopted autoregressive architectures, while unified non-autoregressive approaches remain largely unexplored. In this work, we propose UniFlow-Audio, a universal audio generation framework based on flow matching. We propose a dual-fusion mechanism that temporally aligns audio latents with TA features and integrates NTA features via cross-attention in each model block. Task-balanced data sampling is employed to maintain strong performance across both TA and NTA tasks. UniFlow-Audio supports omni-modalities, including text, audio, and video. By leveraging the advantage of multi-task learning and the generative modeling capabilities of flow matching, UniFlow-Audio achieves strong results across 7 tasks using fewer than 8K hours of public training data and under 1B trainable parameters. Even the small variant with only ~200M trainable parameters shows competitive performance, highlighting UniFlow-Audio as a potential non-auto-regressive foundation model for audio generation. Code and models will be available at https://wsntxxn.github.io/uniflow_audio.

Diffusion models achieve strong generative performance but often rely on large datasets that may include sensitive content. This challenge is compounded by the models' tendency to memorize training data, raising privacy concerns. SFBD (Lu et al., 2025) addresses this by training on corrupted data and using limited clean samples to capture local structure and improve convergence. However, its iterative denoising and fine-tuning loop requires manual coordination, making it burdensome to implement. We reinterpret SFBD as an alternating projection algorithm and introduce a continuous variant, SFBD flow, that removes the need for alternating steps. We further show its connection to consistency constraint-based methods, and demonstrate that its practical instantiation, Online SFBD, consistently outperforms strong baselines across benchmarks.

We explore a generative machine learning-based approach for estimating multi-dimensional probability density functions (PDFs) in a target sample using a statistically independent but related control sample - a common challenge in particle physics data analysis. The generative model must accurately reproduce individual observable distributions while preserving the correlations between them, based on the input multidimensional distribution from the control sample. Here we present a conditional normalizing flow model (CNF) based on a chain of bijectors which learns to transform unpaired simulation events to data events. We assess the performance of the CNF model in the context of LHC Higgs to diphoton analysis, where we use the CNF model to convert a Monte Carlo diphoton sample to one that models data. We show that the CNF model can accurately model complex data distributions and correlations. We also leverage the recently popularized Modified Differential Multiplier Method (MDMM) to improve the convergence of our model and assign physical meaning to usually arbitrary loss-function parameters.

Generative modeling of crystal data distribution is an important yet challenging task due to the unique periodic physical symmetry of crystals. Diffusion-based methods have shown early promise in modeling crystal distribution. More recently, Bayesian Flow Networks were introduced to aggregate noisy latent variables, resulting in a variance-reduced parameter space that has been shown to be advantageous for modeling Euclidean data distributions with structural constraints (Song et al., 2023). Inspired by this, we seek to unlock its potential for modeling variables located in non-Euclidean manifolds e.g. those within crystal structures, by overcoming challenging theoretical issues. We introduce CrysBFN, a novel crystal generation method by proposing a periodic Bayesian flow, which essentially differs from the original Gaussian-based BFN by exhibiting non-monotonic entropy dynamics. To successfully realize the concept of periodic Bayesian flow, CrysBFN integrates a new entropy conditioning mechanism and empirically demonstrates its significance compared to time-conditioning. Extensive experiments over both crystal ab initio generation and crystal structure prediction tasks demonstrate the superiority of CrysBFN, which consistently achieves new state-of-the-art on all benchmarks. Surprisingly, we found that CrysBFN enjoys a significant improvement in sampling efficiency, e.g., ~100x speedup 10 v.s. 2000 steps network forwards) compared with previous diffusion-based methods on MP-20 dataset. Code is available at https://github.com/wu-han-lin/CrysBFN.

Flow matching models have emerged as a powerful method for generative modeling on domains like images or videos, and even on irregular or unstructured data like 3D point clouds or even protein structures. These models are commonly trained in two stages: first, a data compressor is trained, and in a subsequent training stage a flow matching generative model is trained in the latent space of the data compressor. This two-stage paradigm sets obstacles for unifying models across data domains, as hand-crafted compressors architectures are used for different data modalities. To this end, we introduce INRFlow, a domain-agnostic approach to learn flow matching transformers directly in ambient space. Drawing inspiration from INRs, we introduce a conditionally independent point-wise training objective that enables INRFlow to make predictions continuously in coordinate space. Our empirical results demonstrate that INRFlow effectively handles different data modalities such as images, 3D point clouds and protein structure data, achieving strong performance in different domains and outperforming comparable approaches. INRFlow is a promising step towards domain-agnostic flow matching generative models that can be trivially adopted in different data domains.

Language-queried audio source separation (LASS) focuses on separating sounds using textual descriptions of the desired sources. Current methods mainly use discriminative approaches, such as time-frequency masking, to separate target sounds and minimize interference from other sources. However, these models face challenges when separating overlapping soundtracks, which may lead to artifacts such as spectral holes or incomplete separation. Rectified flow matching (RFM), a generative model that establishes linear relations between the distribution of data and noise, offers superior theoretical properties and simplicity, but has not yet been explored in sound separation. In this work, we introduce FlowSep, a new generative model based on RFM for LASS tasks. FlowSep learns linear flow trajectories from noise to target source features within the variational autoencoder (VAE) latent space. During inference, the RFM-generated latent features are reconstructed into a mel-spectrogram via the pre-trained VAE decoder, followed by a pre-trained vocoder to synthesize the waveform. Trained on 1,680 hours of audio data, FlowSep outperforms the state-of-the-art models across multiple benchmarks, as evaluated with subjective and objective metrics. Additionally, our results show that FlowSep surpasses a diffusion-based LASS model in both separation quality and inference efficiency, highlighting its strong potential for audio source separation tasks. Code, pre-trained models and demos can be found at: https://audio-agi.github.io/FlowSep_demo/.

Event cameras are dynamic vision sensors inspired by the biological retina, characterized by their high dynamic range, high temporal resolution, and low power consumption. These features make them capable of perceiving 3D environments even in extreme conditions. Event data is continuous across the time dimension, which allows a detailed description of each pixel's movements. To fully utilize the temporally dense and continuous nature of event cameras, we propose a novel temporal event stereo, a framework that continuously uses information from previous time steps. This is accomplished through the simultaneous training of an event stereo matching network alongside stereoscopic flow, a new concept that captures all pixel movements from stereo cameras. Since obtaining ground truth for optical flow during training is challenging, we propose a method that uses only disparity maps to train the stereoscopic flow. The performance of event-based stereo matching is enhanced by temporally aggregating information using the flows. We have achieved state-of-the-art performance on the MVSEC and the DSEC datasets. The method is computationally efficient, as it stacks previous information in a cascading manner. The code is available at https://github.com/mickeykang16/TemporalEventStereo.

Identifying Out-of-distribution (OOD) data is becoming increasingly critical as the real-world applications of deep learning methods expand. Post-hoc methods modify softmax scores fine-tuned on outlier data or leverage intermediate feature layers to identify distinctive patterns between In-Distribution (ID) and OOD samples. Other methods focus on employing diverse OOD samples to learn discrepancies between ID and OOD. These techniques, however, are typically dependent on the quality of the outlier samples assumed. Density-based methods explicitly model class-conditioned distributions but this requires long training time or retraining the classifier. To tackle these issues, we introduce FlowCon, a new density-based OOD detection technique. Our main innovation lies in efficiently combining the properties of normalizing flow with supervised contrastive learning, ensuring robust representation learning with tractable density estimation. Empirical evaluation shows the enhanced performance of our method across common vision datasets such as CIFAR-10 and CIFAR-100 pretrained on ResNet18 and WideResNet classifiers. We also perform quantitative analysis using likelihood plots and qualitative visualization using UMAP embeddings and demonstrate the robustness of the proposed method under various OOD contexts. Code will be open-sourced post decision.

Considering the complementarity of scene flow estimation in the spatial domain's focusing capability and 3D object tracking in the temporal domain's coherence, this study aims to address a comprehensive new task that can simultaneously capture fine-grained and long-term 3D motion in an online manner: long-term scene flow estimation (LSFE). We introduce SceneTracker, a novel learning-based LSFE network that adopts an iterative approach to approximate the optimal trajectory. Besides, it dynamically indexes and constructs appearance and depth correlation features simultaneously and employs the Transformer to explore and utilize long-range connections within and between trajectories. With detailed experiments, SceneTracker shows superior capabilities in handling 3D spatial occlusion and depth noise interference, highly tailored to the LSFE task's needs. Finally, we build the first real-world evaluation dataset, LSFDriving, further substantiating SceneTracker's commendable generalization capacity. The code and data for SceneTracker is available at https://github.com/wwsource/SceneTracker.

The accuracy of learning-based optical flow estimation models heavily relies on the realism of the training datasets. Current approaches for generating such datasets either employ synthetic data or generate images with limited realism. However, the domain gap of these data with real-world scenes constrains the generalization of the trained model to real-world applications. To address this issue, we investigate generating realistic optical flow datasets from real-world images. Firstly, to generate highly realistic new images, we construct a layered depth representation, known as multiplane images (MPI), from single-view images. This allows us to generate novel view images that are highly realistic. To generate optical flow maps that correspond accurately to the new image, we calculate the optical flows of each plane using the camera matrix and plane depths. We then project these layered optical flows into the output optical flow map with volume rendering. Secondly, to ensure the realism of motion, we present an independent object motion module that can separate the camera and dynamic object motion in MPI. This module addresses the deficiency in MPI-based single-view methods, where optical flow is generated only by camera motion and does not account for any object movement. We additionally devise a depth-aware inpainting module to merge new images with dynamic objects and address unnatural motion occlusions. We show the superior performance of our method through extensive experiments on real-world datasets. Moreover, our approach achieves state-of-the-art performance in both unsupervised and supervised training of learning-based models. The code will be made publicly available at: https://github.com/Sharpiless/MPI-Flow.

Camera traps, unmanned observation devices, and deep learning-based image recognition systems have greatly reduced human effort in collecting and analyzing wildlife images. However, data collected via above apparatus exhibits 1) long-tailed and 2) open-ended distribution problems. To tackle the open-set long-tailed recognition problem, we propose the Temporal Flow Mask Attention Network that comprises three key building blocks: 1) an optical flow module, 2) an attention residual module, and 3) a meta-embedding classifier. We extract temporal features of sequential frames using the optical flow module and learn informative representation using attention residual blocks. Moreover, we show that applying the meta-embedding technique boosts the performance of the method in open-set long-tailed recognition. We apply this method on a Korean Demilitarized Zone (DMZ) dataset. We conduct extensive experiments, and quantitative and qualitative analyses to prove that our method effectively tackles the open-set long-tailed recognition problem while being robust to unknown classes.

Optical flow is the motion of a pixel between at least two consecutive video frames and can be estimated through an end-to-end trainable convolutional neural network. To this end, large training datasets are required to improve the accuracy of optical flow estimation. Our paper presents OmniFlow: a new synthetic omnidirectional human optical flow dataset. Based on a rendering engine we create a naturalistic 3D indoor environment with textured rooms, characters, actions, objects, illumination and motion blur where all components of the environment are shuffled during the data capturing process. The simulation has as output rendered images of household activities and the corresponding forward and backward optical flow. To verify the data for training volumetric correspondence networks for optical flow estimation we train different subsets of the data and test on OmniFlow with and without Test-Time-Augmentation. As a result we have generated 23,653 image pairs and corresponding forward and backward optical flow. Our dataset can be downloaded from: https://mytuc.org/byfs

In this paper we propose Flowtron: an autoregressive flow-based generative network for text-to-speech synthesis with control over speech variation and style transfer. Flowtron borrows insights from IAF and revamps Tacotron in order to provide high-quality and expressive mel-spectrogram synthesis. Flowtron is optimized by maximizing the likelihood of the training data, which makes training simple and stable. Flowtron learns an invertible mapping of data to a latent space that can be manipulated to control many aspects of speech synthesis (pitch, tone, speech rate, cadence, accent). Our mean opinion scores (MOS) show that Flowtron matches state-of-the-art TTS models in terms of speech quality. In addition, we provide results on control of speech variation, interpolation between samples and style transfer between speakers seen and unseen during training. Code and pre-trained models will be made publicly available at https://github.com/NVIDIA/flowtron

The FlowNet demonstrated that optical flow estimation can be cast as a learning problem. However, the state of the art with regard to the quality of the flow has still been defined by traditional methods. Particularly on small displacements and real-world data, FlowNet cannot compete with variational methods. In this paper, we advance the concept of end-to-end learning of optical flow and make it work really well. The large improvements in quality and speed are caused by three major contributions: first, we focus on the training data and show that the schedule of presenting data during training is very important. Second, we develop a stacked architecture that includes warping of the second image with intermediate optical flow. Third, we elaborate on small displacements by introducing a sub-network specializing on small motions. FlowNet 2.0 is only marginally slower than the original FlowNet but decreases the estimation error by more than 50%. It performs on par with state-of-the-art methods, while running at interactive frame rates. Moreover, we present faster variants that allow optical flow computation at up to 140fps with accuracy matching the original FlowNet.

Synthetic data is becoming increasingly important for accelerating the development of language models, both large and small. Despite several successful use cases, researchers also raised concerns around model collapse and drawbacks of imitating other models. This discrepancy can be attributed to the fact that synthetic data varies in quality and diversity. Effective use of synthetic data usually requires significant human effort in curating the data. We focus on using synthetic data for post-training, specifically creating data by powerful models to teach a new skill or behavior to another model, we refer to this setting as Generative Teaching. We introduce AgentInstruct, an extensible agentic framework for automatically creating large amounts of diverse and high-quality synthetic data. AgentInstruct can create both the prompts and responses, using only raw data sources like text documents and code files as seeds. We demonstrate the utility of AgentInstruct by creating a post training dataset of 25M pairs to teach language models different skills, such as text editing, creative writing, tool usage, coding, reading comprehension, etc. The dataset can be used for instruction tuning of any base model. We post-train Mistral-7b with the data. When comparing the resulting model Orca-3 to Mistral-7b-Instruct (which uses the same base model), we observe significant improvements across many benchmarks. For example, 40% improvement on AGIEval, 19% improvement on MMLU, 54% improvement on GSM8K, 38% improvement on BBH and 45% improvement on AlpacaEval. Additionally, it consistently outperforms other models such as LLAMA-8B-instruct and GPT-3.5-turbo.

Abstraction is a core tenet of human cognition and communication. When composing natural language instructions, humans naturally evoke abstraction to convey complex procedures in an efficient and concise way. Yet, interpreting and grounding abstraction expressed in NL has not yet been systematically studied in NLP, with no accepted benchmarks specifically eliciting abstraction in NL. In this work, we set the foundation for a systematic study of processing and grounding abstraction in NLP. First, we deliver a novel abstraction elicitation method and present Hexagons, a 2D instruction-following game. Using Hexagons we collected over 4k naturally-occurring visually-grounded instructions rich with diverse types of abstractions. From these data, we derive an instruction-to-execution task and assess different types of neural models. Our results show that contemporary models and modeling practices are substantially inferior to human performance, and that models' performance is inversely correlated with the level of abstraction, showing less satisfying performance on higher levels of abstraction. These findings are consistent across models and setups, confirming that abstraction is a challenging phenomenon deserving further attention and study in NLP/AI research.

Normalizing Flows (NFs) learn invertible mappings between the data and a Gaussian distribution. Prior works usually suffer from two limitations. First, they add random noise to training samples or VAE latents as data augmentation, introducing complex pipelines including extra noising and denoising steps. Second, they use a pretrained and frozen VAE encoder, resulting in suboptimal reconstruction and generation quality. In this paper, we find that the two issues can be solved in a very simple way: just fixing the variance (which would otherwise be predicted by the VAE encoder) to a constant (e.g., 0.5). On the one hand, this method allows the encoder to output a broader distribution of tokens and the decoder to learn to reconstruct clean images from the augmented token distribution, avoiding additional noise or denoising design. On the other hand, fixed variance simplifies the VAE evidence lower bound, making it stable to train an NF with a VAE jointly. On the ImageNet 256 times 256 generation task, our model SimFlow obtains a gFID score of 2.15, outperforming the state-of-the-art method STARFlow (gFID 2.40). Moreover, SimFlow can be seamlessly integrated with the end-to-end representation alignment (REPA-E) method and achieves an improved gFID of 1.91, setting a new state of the art among NFs.

Video anomaly detection is an ill-posed problem because it relies on many parameters such as appearance, pose, camera angle, background, and more. We distill the problem to anomaly detection of human pose, thus decreasing the risk of nuisance parameters such as appearance affecting the result. Focusing on pose alone also has the side benefit of reducing bias against distinct minority groups. Our model works directly on human pose graph sequences and is exceptionally lightweight (~1K parameters), capable of running on any machine able to run the pose estimation with negligible additional resources. We leverage the highly compact pose representation in a normalizing flows framework, which we extend to tackle the unique characteristics of spatio-temporal pose data and show its advantages in this use case. The algorithm is quite general and can handle training data of only normal examples as well as a supervised setting that consists of labeled normal and abnormal examples. We report state-of-the-art results on two anomaly detection benchmarks - the unsupervised ShanghaiTech dataset and the recent supervised UBnormal dataset.

Generative flows and diffusion models have been predominantly trained on ordinal data, for example natural images. This paper introduces two extensions of flows and diffusion for categorical data such as language or image segmentation: Argmax Flows and Multinomial Diffusion. Argmax Flows are defined by a composition of a continuous distribution (such as a normalizing flow), and an argmax function. To optimize this model, we learn a probabilistic inverse for the argmax that lifts the categorical data to a continuous space. Multinomial Diffusion gradually adds categorical noise in a diffusion process, for which the generative denoising process is learned. We demonstrate that our method outperforms existing dequantization approaches on text modelling and modelling on image segmentation maps in log-likelihood.

The transformer architecture by Vaswani et al. (2017) is now ubiquitous across application domains, from natural language processing to speech processing and image understanding. We propose DenseFormer, a simple modification to the standard architecture that improves the perplexity of the model without increasing its size -- adding a few thousand parameters for large-scale models in the 100B parameters range. Our approach relies on an additional averaging step after each transformer block, which computes a weighted average of current and past representations -- we refer to this operation as Depth-Weighted-Average (DWA). The learned DWA weights exhibit coherent patterns of information flow, revealing the strong and structured reuse of activations from distant layers. Experiments demonstrate that DenseFormer is more data efficient, reaching the same perplexity of much deeper transformer models, and that for the same perplexity, these new models outperform transformer baselines in terms of memory efficiency and inference time.

We present PACE, a novel method for modifying motion-captured virtual agents to interact with and move throughout dense, cluttered 3D scenes. Our approach changes a given motion sequence of a virtual agent as needed to adjust to the obstacles and objects in the environment. We first take the individual frames of the motion sequence most important for modeling interactions with the scene and pair them with the relevant scene geometry, obstacles, and semantics such that interactions in the agents motion match the affordances of the scene (e.g., standing on a floor or sitting in a chair). We then optimize the motion of the human by directly altering the high-DOF pose at each frame in the motion to better account for the unique geometric constraints of the scene. Our formulation uses novel loss functions that maintain a realistic flow and natural-looking motion. We compare our method with prior motion generating techniques and highlight the benefits of our method with a perceptual study and physical plausibility metrics. Human raters preferred our method over the prior approaches. Specifically, they preferred our method 57.1% of the time versus the state-of-the-art method using existing motions, and 81.0% of the time versus a state-of-the-art motion synthesis method. Additionally, our method performs significantly higher on established physical plausibility and interaction metrics. Specifically, we outperform competing methods by over 1.2% in terms of the non-collision metric and by over 18% in terms of the contact metric. We have integrated our interactive system with Microsoft HoloLens and demonstrate its benefits in real-world indoor scenes. Our project website is available at https://gamma.umd.edu/pace/.

We propose a novel scene flow estimation approach to capture and infer 3D motions from point clouds. Estimating 3D motions for point clouds is challenging, since a point cloud is unordered and its density is significantly non-uniform. Such unstructured data poses difficulties in matching corresponding points between point clouds, leading to inaccurate flow estimation. We propose a novel architecture named Sparse Convolution-Transformer Network (SCTN) that equips the sparse convolution with the transformer. Specifically, by leveraging the sparse convolution, SCTN transfers irregular point cloud into locally consistent flow features for estimating continuous and consistent motions within an object/local object part. We further propose to explicitly learn point relations using a point transformer module, different from exiting methods. We show that the learned relation-based contextual information is rich and helpful for matching corresponding points, benefiting scene flow estimation. In addition, a novel loss function is proposed to adaptively encourage flow consistency according to feature similarity. Extensive experiments demonstrate that our proposed approach achieves a new state of the art in scene flow estimation. Our approach achieves an error of 0.038 and 0.037 (EPE3D) on FlyingThings3D and KITTI Scene Flow respectively, which significantly outperforms previous methods by large margins.

Accelerated magnetic resonance (MR) imaging attempts to reduce acquisition time by collecting data below the Nyquist rate. As an ill-posed inverse problem, many plausible solutions exist, yet the majority of deep learning approaches generate only a single solution. We instead focus on sampling from the posterior distribution, which provides more comprehensive information for downstream inference tasks. To do this, we design a novel conditional normalizing flow (CNF) that infers the signal component in the measurement operator's nullspace, which is later combined with measured data to form complete images. Using fastMRI brain and knee data, we demonstrate fast inference and accuracy that surpasses recent posterior sampling techniques for MRI. Code is available at https://github.com/jwen307/mri_cnf/

Local graph clustering methods aim to detect small clusters in very large graphs without the need to process the whole graph. They are fundamental and scalable tools for a wide range of tasks such as local community detection, node ranking and node embedding. While prior work on local graph clustering mainly focuses on graphs without node attributes, modern real-world graph datasets typically come with node attributes that provide valuable additional information. We present a simple local graph clustering algorithm for graphs with node attributes, based on the idea of diffusing mass locally in the graph while accounting for both structural and attribute proximities. Using high-dimensional concentration results, we provide statistical guarantees on the performance of the algorithm for the recovery of a target cluster with a single seed node. We give conditions under which a target cluster generated from a fairly general contextual random graph model, which includes both the stochastic block model and the planted cluster model as special cases, can be fully recovered with bounded false positives. Empirically, we validate all theoretical claims using synthetic data, and we show that incorporating node attributes leads to superior local clustering performances using real-world graph datasets.

Node clustering is a powerful tool in the analysis of networks. We introduce a graph neural network framework, named DIGRAC, to obtain node embeddings for directed networks in a self-supervised manner, including a novel probabilistic imbalance loss, which can be used for network clustering. Here, we propose directed flow imbalance measures, which are tightly related to directionality, to reveal clusters in the network even when there is no density difference between clusters. In contrast to standard approaches in the literature, in this paper, directionality is not treated as a nuisance, but rather contains the main signal. DIGRAC optimizes directed flow imbalance for clustering without requiring label supervision, unlike existing graph neural network methods, and can naturally incorporate node features, unlike existing spectral methods. Extensive experimental results on synthetic data, in the form of directed stochastic block models, and real-world data at different scales, demonstrate that our method, based on flow imbalance, attains state-of-the-art results on directed graph clustering when compared against 10 state-of-the-art methods from the literature, for a wide range of noise and sparsity levels, graph structures, and topologies, and even outperforms supervised methods.