I was reading an article on the benefits of cache oblivious data structures and found myself wondering if the Python implementations (CPython) use this approach? If not, is there a technical limitation preventing it?
I would say this is mostly irrelevant for built-in (standard library) Python data structures.
Creating a new data type in Python means creating a class, which is not a bare-bones wrapper of underlying primitive types or method pointers, but rather is a particular type of struct that has lots of additional metadata coming from Python object data model.
There is no native tree data structure in Python. There are lists, arrays, and array-based hash tables (dict, set), along with some extensions to these like in the collections module. Third party tree / trie / etc., implementations are free to offer a cache-oblivious implementation if it suits the intended usage. This would include CPython C-level implementations such as with custom extensions modules or via a tool like Cython.
NumPy ndarray is a contiguous array data structure for which the user may choose the data type (i.e. the user could, in theory, choose a weird data type that is not easily made into a multiple of the machine architecture's cache size). Perhaps some customization could be improved there, for fixed data type (and maybe the same is true for array.array), but I am wondering how many array / linear algebra algorithms benefit from some sort of customized cache obliviousness -- normally these sorts of libraries are written to assume use of a particular data type, like int32 or float64, specifically based on the cache size, and employ dynamic memory reallocation, like doubling, to amortize cost of certain operations. For example, your linked article mentions that finding the max over an array is "intrinsically" cache oblivious ... because it's contiguous, you make the maximum possible use of each cache line you read, and you only read the minimal number of cache lines. Perhaps for treating an array like a heap or something, you could be clever about rearranging the memory layout to be optimal regardless of cache size, but it wouldn't be the role of a general purpose array to have its implementation customized like that based on a very specialized use case (an array having the heap property).
In short, I would turn the question around on you and say, given the data structures that are standard in Python, do you see particular trade-offs between dynamic resizing, dynamic typing and (perhaps most importantly) general random access pattern assumptions vs. having a cache oblivious implementation backing them?
Related
Actually, I am doing a sequence operation about numpy array, therefore, I want to know how to access a[i] quickly?
(Because I accessa[i-1] in the last loop, therefore, in c++, we may simply access a[i] by adding 1 to the address of a[i-1],but I don't know whether it is possible in numpy. Thanks.
I don't think this is possible/a[i] is the fastest way.
Python is a programming language that is easier to learn (and use) than c++, this of course comes at a cost, one of these costs is, that it's slower.
The references you're talking about can be "dangerous", hence python makes them not (easily) available to people, to protect them from things the do not understand.
While references are faster, you can't use them in python (as it is anyway slower, the difference in using references or not doesn't matter that much)
It's best not to think of a Python NumPy: ndarray as a C++ array. They're much different. Python also offers its own native list objects and includes an array module in its standard libraries.
A Python list behaves mostly like a generic array (as found in many programming languages). It's an ordered sequence; elements can be accessed by integer index from 0 up through (but not including) the length of the list (len(mylist)); ranges of elements can be access using "slice" notation (mylist[start_offset:end_offset]) returning another list object; negative indexes are treated as offsets from the end of the list (mylist[-1] is the last item of the list) and so on.
Additionally they support a number of methods such as .count(), .find() and .replace().
Unlike the arrays in most programming languages, Python lists are heterogenous. The elements can be any mixture of any object types in Python, including references to nested lists, dictionaries, code, classes, generator objects and other callable first class objects and, of course, instances of custom objects.
The Python array module allows one to instantiate homogenous list-like objects. That is you instantiate them using any of a dozen primitive data types (character or Unicode, signed or unsigned short or long integers, floating point or double precision floating point). Indexing and slicing are identical to Python native lists.
The primary advantage of Python array.array() instances is that they can store large numbers of their elements far more compactly than the more generalized list objects. Various operations on these arrays are likely to be somewhat faster than similar operations performed by iterating over or otherwise referencing elements in a native Python list because there's greater locality of reference in the more compact array layout (in memory) and because the type constraint obviates some dispatch overhead that's incurred when handling generalized objects.
NumPy, on the other hand, is far more sophisticated than the Python array module.
For one thing the ndarray can be multi-dimensional and can be dynamically reshaped. It's common to start with a linear ndarray and to reshape it into a matrix or other higher dimensional structure. Also the ndarray supports a much richer set of data types than the Python array module. NumPy also implements some rather advanced fancy indexingfeatures.
But the real performance advantages of NumPy relate to how it "vectorizes" most operations, broadcasts them across the data structures (possibly using any SIMD features supported by your CPU or even your GPU in the process. At the very list many common matrix operations, when properly written in Python for NumPy, are execute as native machine code speed. This performance edge does well beyond the minor effects of locality of references and obviating dispatch tables that one gains using the simple array module.
The Julia Language syntax looks very similar to python, while the concept of a class (if one should address it as such a thing) is more what you use in C. There were many reasons why the creators decided on the difference with respect to the OOP. Still would it have been so hard (in comparison to create Julia in first place which is impressive) to find some canonical way to interpret python to Julia and thus get a hold of all the python libraries?
Yes. The design of Python makes it fundamentally difficult to optimize at compile-time (i.e. before you run the code). It is simply false that Julia is fast BECAUSE of its JIT. Rather, Julia is designed with its type system and multiple dispatch in mind so that way the compiler can know all of the necessary details to compile "the same code you would have written in C". That's what makes it fast: the type system. It makes a few trade-offs that allow it to, in "type-stable" functions, fully deduce what the types of every variable is, know what the memory layout of the type should be (including parametric types, so Vector{Float64} has a memory layout which is determined by the type and its parameter which inlines Float64 values like a NumPy array, except this is generalized in a way that your own struct types get the same efficiency), and compile a version of the code specifically for the types which are seen.
There are many ways where this is at odds with Python. For example, if the number of fields in a struct could change, then the memory layout could not be determined and thus these optimizations cannot occur at "compile-time". Julia was painstakingly designed to make sure that it would have type inferrability, and it uses that to generate code which is fully typed and remove all runtime checks (in type-stable functions. When a function is not type-stable, the types of the variables become dynamic rather than static and it slows down to Python-like speeds). In this sense, Julia actually isn't even optimized yet: all of its performance comes "for free" given the design of its type system. Python/MATLAB/R has to try really hard to optimize at runtime because it doesn't have the capability to do these deductions. In fact, those languages are "better optimized" right now in terms of runtime optimizations, but no one has really worked on runtime optimizations in Julia yet because in most performance sensitive cases you can get it all at compile time.
So then, what about Numba? Numba tries to take the route that Julia takes but with Python code by limiting what can be done so that way it can get type-stable code and compile that efficiently. However, this means a few things. First of all, it's not compatible with all Python codes or libraries. But more importantly, since Python is not a language built around its type system, the tools for controlling the code at the level of types is much reduced. So Numba doesn't have parametric vectors and generic codes which auto-specialize via multiple dispatch because these aren't features of the language. But that also means that it cannot make full use of the design, which limits how much it can do. It can handle the "use only floating point array" stuff just fine, but you can see it gets limited if you want one code to produce efficient code for "any number type, even ones I don't know about". However, by design, Julia does this automatically.
So at the core, Julia and Python are extremely different languages. It can be hard to see because Julia's syntax is close to Python's syntax, but they do not work the same at all.
This is a short summary of what I have described in a few blog posts. These go into more detail and show you how Julia is actually generating efficient code, how it gives you a generic "Python looking style" but doing so with full inferrability all the way down, and what the tradeoffs are.
How type-stability plus multiple dispatch gives performance:
http://ucidatascienceinitiative.github.io/IntroToJulia/Html/WhyJulia
http://www.stochasticlifestyle.com/7-julia-gotchas-handle/
How the type system allows for highly performant generic designs
http://www.stochasticlifestyle.com/type-dispatch-design-post-object-oriented-programming-julia/
I'm using python to set up a computationally intense simulation, then running it in a custom built C-extension and finally processing the results in python. During the simulation, I want to store a fixed-length number of floats (C doubles converted to PyFloatObjects) representing my variables at every time step, but I don't know how many time steps there will be in advance. Once the simulation is done, I need to pass back the results to python in a form where the data logged for each individual variable is available as a list-like object (for example a (wrapper around a) continuous array, piece-wise continuous array or column in a matrix with a fixed stride).
At the moment I'm creating a dictionary mapping the name of each variable to a list containing PyFloatObject objects. This format is perfect for working with in the post-processing stage but I have a feeling the creation stage could be a lot faster.
Time is quite crucial since the simulation is a computationally heavy task already. I expect that a combination of A. buying lots of memory and B. setting up your experiment wisely will allow the entire log to fit in the RAM. However, with my current dict-of-lists solution keeping every variable's log in a continuous section of memory would require a lot of copying and overhead.
My question is: What is a clever, low-level way of quickly logging gigabytes of doubles in memory with minimal space/time overhead, that still translates to a neat python data structure?
Clarification: when I say "logging", I mean storing until after the simulation. Once that's done a post-processing phase begins and in most cases I'll only store the resulting graphs. So I don't actually need to store the numbers on disk.
Update: In the end, I changed my approach a little and added the log (as a dict mapping variable names to sequence types) to the function parameters. This allows you to pass in objects such as lists or array.arrays or anything that has an append method. This adds a little time overhead because I'm using the PyObject_CallMethodObjArgs function to call the Append method instead of PyList_Append or similar. Using arrays allows you to reduce the memory load, which appears to be the best I can do short of writing my own expanding storage type. Thanks everyone!
You might want to consider doing this in Cython, instead of as a C extension module. Cython is smart, and lets you do things in a pretty pythonic way, even though it at the same time lets you use C datatypes and python datatypes.
Have you checked out the array module? It allows you to store lots of scalar, homogeneous types in a single collection.
If you're truly "logging" these, and not just returning them to CPython, you might try opening a file and fprintf'ing them.
BTW, realloc might be your friend here, whether you go with a C extension module or Cython.
This is going to be more a huge dump of ideas rather than a consistent answer, because it sounds like that's what you're looking for. If not, I apologize.
The main thing you're trying to avoid here is storing billions of PyFloatObjects in memory. There are a few ways around that, but they all revolve on storing billions of plain C doubles instead, and finding some way to expose them to Python as if they were sequences of PyFloatObjects.
To make Python (or someone else's module) do the work, you can use a numpy array, a standard library array, a simple hand-made wrapper on top of the struct module, or ctypes. (It's a bit odd to use ctypes to deal with an extension module, but there's nothing stopping you from doing it.) If you're using struct or ctypes, you can even go beyond the limits of your memory by creating a huge file and mmapping in windows into it as needed.
To make your C module do the work, instead of actually returning a list, return a custom object that meets the sequence protocol, so when someone calls, say, foo.getitem(i) you convert _array[i] to a PyFloatObject on the fly.
Another advantage of mmap is that, if you're creating the arrays iteratively, you can create them by just streaming to a file, and then use them by mmapping the resulting file back as a block of memory.
Otherwise, you need to handle the allocations. If you're using the standard array, it takes care of auto-expanding as needed, but otherwise, you're doing it yourself. The code to do a realloc and copy if necessary isn't that difficult, and there's lots of sample code online, but you do have to write it. Or you may want to consider building a strided container that you can expose to Python as if it were contiguous even though it isn't. (You can do this directly via the complex buffer protocol, but personally I've always found that harder than writing my own sequence implementation.) If you can use C++, vector is an auto-expanding array, and deque is a strided container (and if you've got the SGI STL rope, it may be an even better strided container for the kind of thing you're doing).
As the other answer pointed out, Cython can help for some of this. Not so much for the "exposing lots of floats to Python" part; you can just move pieces of the Python part into Cython, where they'll get compiled into C. If you're lucky, all of the code that needs to deal with the lots of floats will work within the subset of Python that Cython implements, and the only things you'll need to expose to actual interpreted code are higher-level drivers (if even that).
I was wondering whether someone might know the answer to the following.
I'm using Python to build a character-based suffix tree. There are over 11 million nodes in the tree which fits in to approximately 3GB of memory. This was down from 7GB by using the slot class method rather than the Dict method.
When I serialise the tree (using the highest protocol) the resulting file is more than a hundred times smaller.
When I load the pickled file back in, it again consumes 3GB of memory. Where does this extra overhead come from, is it something to do with Pythons handling of memory references to class instances?
Update
Thank you larsmans and Gurgeh for your very helpful explanations and advice. I'm using the tree as part of an information retrieval interface over a corpus of texts.
I originally stored the children (max of 30) as a Numpy array, then tried the hardware version (ctypes.py_object*30), the Python array (ArrayType), as well as the dictionary and Set types.
Lists seemed to do better (using guppy to profile the memory, and __slots__['variable',...]), but I'm still trying to squash it down a bit more if I can. The only problem I had with arrays is having to specify their size in advance, which causes a bit of redundancy in terms of nodes with only one child, and I have quite a lot of them. ;-)
After the tree is constructed I intend to convert it to a probabilistic tree with a second pass, but may be I can do this as the tree is constructed. As construction time is not too important in my case, the array.array() sounds like something that would be useful to try, thanks for the tip, really appreciated.
I'll let you know how it goes.
If you try to pickle an empty list, you get:
>>> s = StringIO()
>>> pickle.dump([], s)
>>> s.getvalue()
'(l.'
and similarly '(d.' for an empty dict. That's three bytes. The in-memory representation of a list, however, contains
a reference count
a type ID, in turn containing a pointer to the type name and bookkeeping info for memory allocation
a pointer to a vector of pointers to actual elements
and yet more bookkeeping info.
On my machine, which has 64-bit pointers, the sizeof a Python list header object is 40 bytes, so that's one order of magnitude. I assume an empty dict will have similar size.
Then, both list and dict use an overallocation strategy to obtain amortized O(1) performance for their main operations, malloc introduces overhead, there's alignment, member attributes that you may or may not even be aware of and various other factors that get you the second order of magnitude.
Summing up: pickle is a pretty good compression algorithm for Python objects :)
Do you construct your tree once and then use it without modifying it further? In that case you might want to consider using separate structures for the dynamic construction and the static usage.
Dicts and objects are very good for dynamic modification, but they are not very space efficient in a read-only scenario. I don't know exactly what you are using your suffix tree for, but you could let each node be represented by a 2-tuple of a sorted array.array('c') and an equally long tuple of subnodes (a tuple instead of a vector to avoid overallocation). You traverse the tree using the bisect-module for lookup in the array. The index of a character in the array will correspond to a subnode in the subnode-tuple. This way you avoid dicts, objects and vector.
You could do something similar during the construction process, perhaps using a subnode-vector instead of subnode-tuple. But this will of course make construction slower, since inserting new nodes in a sorted vector is O(N).
I have a scientific data management problem which seems general, but I can't find an existing solution or even a description of it, which I have long puzzled over. I am about to embark on a major rewrite (python) but I thought I'd cast about one last time for existing solutions, so I can scrap my own and get back to the biology, or at least learn some appropriate language for better googling.
The problem:
I have expensive (hours to days to calculate) and big (GB's) data attributes that are typically built as transformations of one or more other data attributes. I need to keep track of exactly how this data is built so I can reuse it as input for another transformation if it fits the problem (built with right specification values) or construct new data as needed. Although it shouldn't matter, I typically I start with 'value-added' somewhat heterogeneous molecular biology info, for example, genomes with genes and proteins annotated by other processes by other researchers. I need to combine and compare these data to make my own inferences. A number of intermediate steps are often required, and these can be expensive. In addition, the end results can become the input for additional transformations. All of these transformations can be done in multiple ways: restricting with different initial data (eg using different organisms), by using different parameter values in the same inferences, or by using different inference models, etc. The analyses change frequently and build on others in unplanned ways. I need to know what data I have (what parameters or specifications fully define it), both so I can reuse it if appropriate, as well as for general scientific integrity.
My efforts in general:
I design my python classes with the problem of description in mind. All data attributes built by a class object are described by a single set of parameter values. I call these defining parameters or specifications the 'def_specs', and these def_specs with their values the 'shape' of the data atts. The entire global parameter state for the process might be quite large (eg a hundred parameters), but the data atts provided by any one class require only a small number of these, at least directly. The goal is to check whether previously built data atts are appropriate by testing if their shape is a subset of the global parameter state.
Within a class it is easy to find the needed def_specs that define the shape by examining the code. The rub arises when a module needs a data att from another module. These data atts will have their own shape, perhaps passed as args by the calling object, but more often filtered from the global parameter state. The calling class should be augmented with the shape of its dependencies in order to maintain a complete description of its data atts.
In theory this could be done manually by examining the dependency graph, but this graph can get deep, and there are many modules, which I am constantly changing and adding, and ... I'm too lazy and careless to do it by hand.
So, the program dynamically discovers the complete shape of the data atts by tracking calls to other classes attributes and pushing their shape back up to the caller(s) through a managed stack of __get__ calls. As I rewrite I find that I need to strictly control attribute access to my builder classes to prevent arbitrary info from influencing the data atts. Fortunately python is making this easy with descriptors.
I store the shape of the data atts in a db so that I can query whether appropriate data (i.e. its shape is a subset of the current parameter state) already exists. In my rewrite I am moving from mysql via the great SQLAlchemy to an object db (ZODB or couchdb?) as the table for each class has to be altered when additional def_specs are discovered, which is a pain, and because some of the def_specs are python lists or dicts, which are a pain to translate to sql.
I don't think this data management can be separated from my data transformation code because of the need for strict attribute control, though I am trying to do so as much as possible. I can use existing classes by wrapping them with a class that provides their def_specs as class attributes, and db management via descriptors, but these classes are terminal in that no further discovery of additional dependency shape can take place.
If the data management cannot easily be separated from the data construction, I guess it is unlikely that there is an out of the box solution but a thousand specific ones. Perhaps there is an applicable pattern? I'd appreciate any hints at how to go about looking or better describing the problem. To me it seems a general issue, though managing deeply layered data is perhaps at odds with the prevailing winds of the web.
I don't have specific python-related suggestions for you, but here are a few thoughts:
You're encountering a common challenge in bioinformatics. The data is large, heterogeneous, and comes in constantly changing formats as new technologies are introduced. My advice is to not overthink your pipelines, as they're likely to be changing tomorrow. Choose a few well defined file formats, and massage incoming data into those formats as often as possible. In my experience, it's also usually best to have loosely coupled tools that do one thing well, so that you can chain them together for different analyses quickly.
You might also consider taking a version of this question over to the bioinformatics stack exchange at http://biostar.stackexchange.com/
ZODB has not been designed to handle massive data, it is just for web-based applications and in any case it is a flat-file based database.
I recommend you to try PyTables, a python library to handle HDF5 files, which is a format used in astronomy and physics to store results from big calculations and simulations. It can be used as an hierarchical-like database and has also an efficient way to pickle python objects. By the way, the author of pytables explained that ZOdb was too slow for what he needed to do, and I can confirm you that. If you are interested in HDF5, there is also another library, h5py.
As a tool for managing the versioning of the different calculations you have, you can have a try at sumatra, which is something like an extension to git/trac but designed for simulations.
You should ask this question on biostar, you will find better answers there.